USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1085 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 113 ASN : amide:sc= 0.616 K(o=-2.1,f=-1.1) USER MOD Set 1.2: A 128 CYS SG : rot -160:sc= -2.69! USER MOD Set 2.1: A 97 ASN : amide:sc= -1.54! K(o=-3.6!,f=-2.6) USER MOD Set 2.2: A 112 TYR OH : rot -168:sc= -2.04! USER MOD Set 3.1: A 67 CYS SG : rot -113:sc= -1.29 USER MOD Set 3.2: A 71 CYS SG : rot 89:sc= 0.16 USER MOD Set 3.3: A 98 SER OG : rot 79:sc= 2.29 USER MOD Set 4.1: A 22 ASN : amide:sc= -2.5! C(o=-4.3!,f=-6.1!) USER MOD Set 4.2: A 37 TYR OH : rot -130:sc= -0.426 USER MOD Set 4.3: A 52 THR OG1 : rot -19:sc= 0.0301 USER MOD Set 4.4: A 53 ASN : amide:sc= -1.35 K(o=-4.3,f=-2.9) USER MOD Single : A 10 ASN : amide:sc= -0.9 K(o=-0.9,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0193 (180deg=-0.687) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -2.19! C(o=-2.2!,f=-8.2!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0.469) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.06) USER MOD Single : A 25 TYR OH : rot 2:sc= 0.0233 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0528 (180deg=-0.28) USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= -0.729 (180deg=-2.54!) USER MOD Single : A 32 THR OG1 : rot 110:sc= 1.27 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00767) USER MOD Single : A 36 HIS : no HE2:sc= 0.123 K(o=0.12,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc=-0.00116 (180deg=-0.0998) USER MOD Single : A 46 THR OG1 : rot 2:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= -2.55! K(o=-2.6!,f=-0.58) USER MOD Single : A 48 MET CE :methyl 135:sc= -1.46 (180deg=-6.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -9.86! C(o=-9.9!,f=-15!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.98 USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 1.15 (180deg=-0.331) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.061) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= -2.83! (180deg=-3.08!) USER MOD Single : A 81 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.0042) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.164 X(o=0.16,f=-0.0038) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 30:sc= 1.02 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.0244 (180deg=-0.435) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 126:sc= -1.6! USER MOD Single : A 119 HIS : no HE2:sc= -2.63 K(o=-2.6,f=-4.6!) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 126 LYS NZ :NH3+ 154:sc= -0.136 (180deg=-0.529) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -1.56! C(o=-1.6!,f=-2.3!) USER MOD Single : A 130 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.68) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.604 -6.384 1.333 1.00 1.26 N ATOM 2 CA GLU A 9 24.568 -6.477 0.281 1.00 1.05 C ATOM 3 C GLU A 9 23.552 -5.353 0.437 1.00 0.90 C ATOM 4 O GLU A 9 23.288 -4.880 1.545 1.00 0.98 O ATOM 5 CB GLU A 9 23.851 -7.826 0.351 1.00 1.37 C ATOM 6 CG GLU A 9 22.789 -7.997 -0.722 1.00 2.20 C ATOM 7 CD GLU A 9 23.368 -7.969 -2.120 1.00 2.80 C ATOM 8 OE1 GLU A 9 23.552 -6.864 -2.667 1.00 3.20 O ATOM 9 OE2 GLU A 9 23.637 -9.056 -2.675 1.00 3.26 O ATOM 0 HA GLU A 9 25.059 -6.385 -0.688 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.586 -8.626 0.256 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.388 -7.933 1.332 1.00 1.37 H new ATOM 0 HG2 GLU A 9 22.269 -8.942 -0.566 1.00 2.20 H new ATOM 0 HG3 GLU A 9 22.047 -7.205 -0.624 1.00 2.20 H new ATOM 18 N ASN A 10 22.970 -4.956 -0.690 1.00 0.79 N ATOM 19 CA ASN A 10 22.041 -3.835 -0.742 1.00 0.66 C ATOM 20 C ASN A 10 20.777 -4.107 0.054 1.00 0.59 C ATOM 21 O ASN A 10 20.087 -3.178 0.431 1.00 0.53 O ATOM 22 CB ASN A 10 21.675 -3.494 -2.190 1.00 0.62 C ATOM 23 CG ASN A 10 22.864 -3.045 -3.017 1.00 1.14 C ATOM 24 OD1 ASN A 10 22.924 -3.302 -4.216 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.815 -2.365 -2.393 1.00 1.45 N ATOM 0 H ASN A 10 23.130 -5.403 -1.593 1.00 0.79 H new ATOM 0 HA ASN A 10 22.550 -2.983 -0.290 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.224 -4.368 -2.659 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.921 -2.706 -2.192 1.00 0.62 H new ATOM 0 HD21 ASN A 10 24.630 -2.037 -2.910 1.00 1.45 H new ATOM 0 HD22 ASN A 10 23.731 -2.170 -1.395 1.00 1.45 H new ATOM 32 N LYS A 11 20.469 -5.375 0.298 1.00 0.63 N ATOM 33 CA LYS A 11 19.274 -5.740 1.058 1.00 0.62 C ATOM 34 C LYS A 11 19.321 -5.167 2.474 1.00 0.62 C ATOM 35 O LYS A 11 18.334 -4.618 2.964 1.00 0.58 O ATOM 36 CB LYS A 11 19.114 -7.258 1.110 1.00 0.71 C ATOM 37 CG LYS A 11 18.974 -7.898 -0.260 1.00 0.79 C ATOM 38 CD LYS A 11 18.503 -9.339 -0.158 1.00 1.12 C ATOM 39 CE LYS A 11 18.133 -9.903 -1.522 1.00 1.50 C ATOM 40 NZ LYS A 11 17.077 -9.093 -2.190 1.00 2.19 N ATOM 0 H LYS A 11 21.027 -6.168 -0.018 1.00 0.63 H new ATOM 0 HA LYS A 11 18.412 -5.312 0.547 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.977 -7.689 1.618 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.237 -7.503 1.708 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.267 -7.325 -0.860 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.932 -7.864 -0.778 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.289 -9.949 0.288 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.640 -9.395 0.506 1.00 1.12 H new ATOM 0 HE2 LYS A 11 19.020 -9.935 -2.154 1.00 1.50 H new ATOM 0 HE3 LYS A 11 17.785 -10.930 -1.408 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 16.593 -9.674 -2.904 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 16.388 -8.769 -1.482 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 17.512 -8.269 -2.652 1.00 2.19 H new ATOM 54 N LYS A 12 20.472 -5.293 3.122 1.00 0.70 N ATOM 55 CA LYS A 12 20.675 -4.719 4.449 1.00 0.74 C ATOM 56 C LYS A 12 20.550 -3.199 4.385 1.00 0.66 C ATOM 57 O LYS A 12 19.864 -2.574 5.202 1.00 0.63 O ATOM 58 CB LYS A 12 22.056 -5.127 4.981 1.00 0.90 C ATOM 59 CG LYS A 12 22.497 -4.388 6.237 1.00 1.54 C ATOM 60 CD LYS A 12 21.541 -4.605 7.396 1.00 2.02 C ATOM 61 CE LYS A 12 22.010 -3.867 8.641 1.00 2.38 C ATOM 62 NZ LYS A 12 20.985 -3.878 9.715 1.00 2.83 N ATOM 0 H LYS A 12 21.282 -5.789 2.750 1.00 0.70 H new ATOM 0 HA LYS A 12 19.912 -5.098 5.129 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.049 -6.197 5.189 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.796 -4.959 4.198 1.00 0.90 H new ATOM 0 HG2 LYS A 12 23.494 -4.724 6.523 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.569 -3.322 6.023 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.545 -4.260 7.119 1.00 2.02 H new ATOM 0 HD3 LYS A 12 21.461 -5.671 7.610 1.00 2.02 H new ATOM 0 HE2 LYS A 12 22.927 -4.326 9.011 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.252 -2.836 8.382 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 21.346 -3.365 10.544 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 20.118 -3.417 9.372 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 20.772 -4.860 9.982 1.00 2.83 H new ATOM 76 N GLN A 13 21.201 -2.621 3.388 1.00 0.64 N ATOM 77 CA GLN A 13 21.179 -1.184 3.172 1.00 0.59 C ATOM 78 C GLN A 13 19.759 -0.711 2.841 1.00 0.50 C ATOM 79 O GLN A 13 19.358 0.394 3.205 1.00 0.49 O ATOM 80 CB GLN A 13 22.145 -0.834 2.035 1.00 0.62 C ATOM 81 CG GLN A 13 23.124 0.287 2.352 1.00 0.90 C ATOM 82 CD GLN A 13 22.448 1.528 2.892 1.00 1.51 C ATOM 83 OE1 GLN A 13 22.319 1.695 4.105 1.00 2.07 O ATOM 84 NE2 GLN A 13 22.011 2.402 1.998 1.00 2.26 N ATOM 0 H GLN A 13 21.759 -3.135 2.706 1.00 0.64 H new ATOM 0 HA GLN A 13 21.495 -0.675 4.083 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.711 -1.727 1.770 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.564 -0.552 1.157 1.00 0.62 H new ATOM 0 HG2 GLN A 13 23.852 -0.069 3.081 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.677 0.545 1.449 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.140 2.221 1.003 1.00 2.26 H new ATOM 0 HE22 GLN A 13 21.545 3.256 2.305 1.00 2.26 H new ATOM 93 N ALA A 14 19.005 -1.568 2.160 1.00 0.46 N ATOM 94 CA ALA A 14 17.638 -1.264 1.749 1.00 0.38 C ATOM 95 C ALA A 14 16.736 -1.049 2.949 1.00 0.39 C ATOM 96 O ALA A 14 15.848 -0.199 2.925 1.00 0.36 O ATOM 97 CB ALA A 14 17.088 -2.383 0.877 1.00 0.36 C ATOM 0 H ALA A 14 19.325 -2.494 1.877 1.00 0.46 H new ATOM 0 HA ALA A 14 17.661 -0.339 1.173 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.068 -2.143 0.578 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.711 -2.492 -0.011 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.091 -3.317 1.439 1.00 0.36 H new ATOM 103 N LEU A 15 16.961 -1.825 4.000 1.00 0.45 N ATOM 104 CA LEU A 15 16.188 -1.677 5.220 1.00 0.47 C ATOM 105 C LEU A 15 16.442 -0.293 5.801 1.00 0.49 C ATOM 106 O LEU A 15 15.511 0.402 6.206 1.00 0.49 O ATOM 107 CB LEU A 15 16.570 -2.771 6.228 1.00 0.54 C ATOM 108 CG LEU A 15 15.457 -3.234 7.186 1.00 1.13 C ATOM 109 CD1 LEU A 15 14.976 -2.103 8.080 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.294 -3.821 6.408 1.00 1.31 C ATOM 0 H LEU A 15 17.669 -2.559 4.031 1.00 0.45 H new ATOM 0 HA LEU A 15 15.126 -1.783 4.999 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.926 -3.639 5.673 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.407 -2.409 6.825 1.00 0.54 H new ATOM 0 HG LEU A 15 15.880 -4.007 7.828 1.00 1.13 H new ATOM 0 HD11 LEU A 15 14.191 -2.470 8.741 1.00 1.98 H new ATOM 0 HD12 LEU A 15 15.809 -1.732 8.677 1.00 1.98 H new ATOM 0 HD13 LEU A 15 14.583 -1.294 7.464 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.517 -4.143 7.102 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.889 -3.066 5.734 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.639 -4.677 5.828 1.00 1.31 H new ATOM 122 N LYS A 16 17.707 0.112 5.798 1.00 0.51 N ATOM 123 CA LYS A 16 18.091 1.433 6.272 1.00 0.54 C ATOM 124 C LYS A 16 17.446 2.517 5.411 1.00 0.48 C ATOM 125 O LYS A 16 16.946 3.513 5.934 1.00 0.49 O ATOM 126 CB LYS A 16 19.620 1.568 6.285 1.00 0.62 C ATOM 127 CG LYS A 16 20.133 2.971 6.590 1.00 0.79 C ATOM 128 CD LYS A 16 20.417 3.744 5.314 1.00 1.64 C ATOM 129 CE LYS A 16 20.888 5.159 5.593 1.00 1.89 C ATOM 130 NZ LYS A 16 21.325 5.846 4.350 1.00 2.88 N ATOM 0 H LYS A 16 18.486 -0.460 5.471 1.00 0.51 H new ATOM 0 HA LYS A 16 17.732 1.561 7.293 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.026 0.879 7.025 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.007 1.257 5.314 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.396 3.508 7.187 1.00 0.79 H new ATOM 0 HG3 LYS A 16 21.042 2.906 7.188 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.176 3.218 4.734 1.00 1.64 H new ATOM 0 HD3 LYS A 16 19.515 3.777 4.703 1.00 1.64 H new ATOM 0 HE2 LYS A 16 20.082 5.726 6.058 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.713 5.135 6.305 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 21.413 6.867 4.530 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.245 5.467 4.049 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 20.623 5.686 3.600 1.00 2.88 H new ATOM 144 N GLU A 17 17.452 2.314 4.096 1.00 0.42 N ATOM 145 CA GLU A 17 16.803 3.244 3.182 1.00 0.38 C ATOM 146 C GLU A 17 15.298 3.301 3.443 1.00 0.35 C ATOM 147 O GLU A 17 14.707 4.379 3.431 1.00 0.34 O ATOM 148 CB GLU A 17 17.091 2.876 1.722 1.00 0.35 C ATOM 149 CG GLU A 17 18.515 3.177 1.281 1.00 0.39 C ATOM 150 CD GLU A 17 19.006 4.546 1.732 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.321 5.550 1.452 1.00 0.39 O ATOM 152 OE2 GLU A 17 20.071 4.627 2.385 1.00 0.54 O ATOM 0 H GLU A 17 17.898 1.516 3.643 1.00 0.42 H new ATOM 0 HA GLU A 17 17.217 4.236 3.364 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.894 1.814 1.579 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.399 3.418 1.077 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.181 2.411 1.678 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.572 3.118 0.194 1.00 0.39 H new ATOM 159 N LYS A 18 14.680 2.150 3.706 1.00 0.34 N ATOM 160 CA LYS A 18 13.263 2.125 4.053 1.00 0.34 C ATOM 161 C LYS A 18 13.021 2.936 5.317 1.00 0.40 C ATOM 162 O LYS A 18 12.087 3.728 5.386 1.00 0.41 O ATOM 163 CB LYS A 18 12.743 0.700 4.271 1.00 0.34 C ATOM 164 CG LYS A 18 11.238 0.660 4.526 1.00 0.33 C ATOM 165 CD LYS A 18 10.754 -0.693 5.033 1.00 0.36 C ATOM 166 CE LYS A 18 11.240 -0.991 6.446 1.00 0.50 C ATOM 167 NZ LYS A 18 10.589 -0.120 7.463 1.00 0.80 N ATOM 0 H LYS A 18 15.132 1.236 3.686 1.00 0.34 H new ATOM 0 HA LYS A 18 12.722 2.559 3.212 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.976 0.094 3.396 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.264 0.252 5.117 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.978 1.428 5.254 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.712 0.905 3.603 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.664 -0.717 5.014 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.102 -1.476 4.359 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.040 -2.036 6.684 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.320 -0.855 6.492 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.833 -0.457 8.416 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.922 0.858 7.346 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.557 -0.152 7.338 1.00 0.80 H new ATOM 181 N GLU A 19 13.878 2.733 6.312 1.00 0.46 N ATOM 182 CA GLU A 19 13.760 3.437 7.579 1.00 0.52 C ATOM 183 C GLU A 19 13.975 4.931 7.390 1.00 0.50 C ATOM 184 O GLU A 19 13.290 5.740 8.002 1.00 0.53 O ATOM 185 CB GLU A 19 14.755 2.881 8.603 1.00 0.58 C ATOM 186 CG GLU A 19 14.531 1.414 8.934 1.00 0.63 C ATOM 187 CD GLU A 19 15.511 0.882 9.962 1.00 1.32 C ATOM 188 OE1 GLU A 19 16.698 0.704 9.624 1.00 2.32 O ATOM 189 OE2 GLU A 19 15.102 0.639 11.116 1.00 1.29 O ATOM 0 H GLU A 19 14.663 2.084 6.263 1.00 0.46 H new ATOM 0 HA GLU A 19 12.750 3.280 7.958 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.767 3.008 8.220 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.686 3.467 9.520 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.515 1.282 9.306 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.615 0.824 8.021 1.00 0.63 H new ATOM 196 N LEU A 20 14.916 5.287 6.528 1.00 0.47 N ATOM 197 CA LEU A 20 15.194 6.688 6.236 1.00 0.46 C ATOM 198 C LEU A 20 14.020 7.336 5.507 1.00 0.43 C ATOM 199 O LEU A 20 13.679 8.492 5.761 1.00 0.45 O ATOM 200 CB LEU A 20 16.476 6.807 5.407 1.00 0.45 C ATOM 201 CG LEU A 20 17.706 7.303 6.168 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.511 8.747 6.597 1.00 0.58 C ATOM 203 CD2 LEU A 20 17.986 6.421 7.378 1.00 0.60 C ATOM 0 H LEU A 20 15.501 4.626 6.018 1.00 0.47 H new ATOM 0 HA LEU A 20 15.335 7.216 7.179 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.704 5.831 4.979 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.288 7.484 4.574 1.00 0.45 H new ATOM 0 HG LEU A 20 18.567 7.249 5.502 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.394 9.088 7.138 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.361 9.371 5.716 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.638 8.819 7.245 1.00 0.58 H new ATOM 0 HD21 LEU A 20 18.865 6.793 7.904 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.127 6.440 8.049 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.166 5.398 7.048 1.00 0.60 H new ATOM 215 N GLY A 21 13.412 6.588 4.594 1.00 0.39 N ATOM 216 CA GLY A 21 12.205 7.054 3.937 1.00 0.37 C ATOM 217 C GLY A 21 11.069 7.199 4.924 1.00 0.40 C ATOM 218 O GLY A 21 10.460 8.255 5.026 1.00 0.41 O ATOM 0 H GLY A 21 13.733 5.667 4.297 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.397 8.013 3.455 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.921 6.354 3.152 1.00 0.37 H new ATOM 222 N ASN A 22 10.812 6.135 5.666 1.00 0.43 N ATOM 223 CA ASN A 22 9.764 6.111 6.687 1.00 0.47 C ATOM 224 C ASN A 22 9.953 7.215 7.729 1.00 0.53 C ATOM 225 O ASN A 22 8.984 7.795 8.218 1.00 0.56 O ATOM 226 CB ASN A 22 9.759 4.746 7.379 1.00 0.52 C ATOM 227 CG ASN A 22 8.642 4.596 8.392 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.844 4.775 9.592 1.00 1.27 O ATOM 229 ND2 ASN A 22 7.451 4.270 7.914 1.00 1.23 N ATOM 0 H ASN A 22 11.324 5.257 5.581 1.00 0.43 H new ATOM 0 HA ASN A 22 8.810 6.287 6.190 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.665 3.964 6.626 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.716 4.595 7.878 1.00 0.52 H new ATOM 0 HD21 ASN A 22 6.660 4.159 8.548 1.00 1.23 H new ATOM 0 HD22 ASN A 22 7.325 4.130 6.912 1.00 1.23 H new ATOM 236 N ASP A 23 11.198 7.488 8.068 1.00 0.54 N ATOM 237 CA ASP A 23 11.530 8.520 9.047 1.00 0.59 C ATOM 238 C ASP A 23 11.150 9.902 8.521 1.00 0.58 C ATOM 239 O ASP A 23 10.547 10.706 9.231 1.00 0.62 O ATOM 240 CB ASP A 23 13.026 8.465 9.360 1.00 0.61 C ATOM 241 CG ASP A 23 13.408 9.268 10.587 1.00 0.74 C ATOM 242 OD1 ASP A 23 12.925 8.938 11.692 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.178 10.244 10.451 1.00 0.79 O ATOM 0 H ASP A 23 12.008 7.007 7.678 1.00 0.54 H new ATOM 0 HA ASP A 23 10.964 8.337 9.960 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.322 7.426 9.507 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.584 8.838 8.501 1.00 0.61 H new ATOM 248 N ALA A 24 11.495 10.163 7.265 1.00 0.53 N ATOM 249 CA ALA A 24 11.114 11.406 6.597 1.00 0.53 C ATOM 250 C ALA A 24 9.607 11.434 6.360 1.00 0.53 C ATOM 251 O ALA A 24 8.970 12.490 6.382 1.00 0.58 O ATOM 252 CB ALA A 24 11.869 11.532 5.285 1.00 0.49 C ATOM 0 H ALA A 24 12.041 9.527 6.684 1.00 0.53 H new ATOM 0 HA ALA A 24 11.374 12.253 7.232 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.583 12.459 4.789 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.941 11.541 5.482 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.625 10.686 4.642 1.00 0.49 H new ATOM 258 N TYR A 25 9.055 10.248 6.150 1.00 0.48 N ATOM 259 CA TYR A 25 7.621 10.043 5.987 1.00 0.49 C ATOM 260 C TYR A 25 6.868 10.538 7.217 1.00 0.59 C ATOM 261 O TYR A 25 5.761 11.076 7.119 1.00 0.63 O ATOM 262 CB TYR A 25 7.380 8.547 5.778 1.00 0.46 C ATOM 263 CG TYR A 25 5.956 8.144 5.497 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.461 8.195 4.208 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.124 7.677 6.507 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.173 7.799 3.921 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.832 7.271 6.230 1.00 0.68 C ATOM 268 CZ TYR A 25 3.360 7.335 4.934 1.00 0.54 C ATOM 269 OH TYR A 25 2.074 6.931 4.650 1.00 0.63 O ATOM 0 H TYR A 25 9.598 9.387 6.087 1.00 0.48 H new ATOM 0 HA TYR A 25 7.256 10.606 5.128 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.003 8.210 4.949 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.719 8.016 6.668 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.096 8.552 3.410 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.491 7.631 7.522 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.802 7.852 2.908 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.196 6.906 7.023 1.00 0.68 H new ATOM 0 HH TYR A 25 1.913 7.005 3.686 1.00 0.63 H new ATOM 279 N LYS A 26 7.493 10.368 8.371 1.00 0.65 N ATOM 280 CA LYS A 26 6.913 10.774 9.639 1.00 0.77 C ATOM 281 C LYS A 26 7.057 12.276 9.866 1.00 0.81 C ATOM 282 O LYS A 26 6.478 12.832 10.798 1.00 0.94 O ATOM 283 CB LYS A 26 7.588 10.010 10.777 1.00 0.82 C ATOM 284 CG LYS A 26 7.265 8.531 10.780 1.00 0.86 C ATOM 285 CD LYS A 26 7.953 7.822 11.927 1.00 1.03 C ATOM 286 CE LYS A 26 7.676 6.333 11.900 1.00 0.90 C ATOM 287 NZ LYS A 26 8.335 5.626 13.030 1.00 1.62 N ATOM 0 H LYS A 26 8.417 9.944 8.454 1.00 0.65 H new ATOM 0 HA LYS A 26 5.848 10.541 9.616 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.668 10.139 10.701 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.281 10.444 11.729 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.187 8.392 10.858 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.577 8.086 9.835 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.028 7.995 11.872 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.611 8.240 12.874 1.00 1.03 H new ATOM 0 HE2 LYS A 26 6.600 6.163 11.943 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.027 5.915 10.956 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 8.121 4.610 12.976 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 9.364 5.767 12.975 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 7.981 6.006 13.931 1.00 1.62 H new ATOM 301 N LYS A 27 7.826 12.928 9.006 1.00 0.75 N ATOM 302 CA LYS A 27 8.110 14.351 9.156 1.00 0.80 C ATOM 303 C LYS A 27 7.476 15.154 8.026 1.00 0.79 C ATOM 304 O LYS A 27 7.858 16.299 7.780 1.00 0.84 O ATOM 305 CB LYS A 27 9.620 14.579 9.165 1.00 0.80 C ATOM 306 CG LYS A 27 10.345 13.786 10.236 1.00 1.16 C ATOM 307 CD LYS A 27 11.851 13.905 10.098 1.00 1.58 C ATOM 308 CE LYS A 27 12.567 13.077 11.150 1.00 1.93 C ATOM 309 NZ LYS A 27 12.176 13.471 12.528 1.00 2.31 N ATOM 0 H LYS A 27 8.266 12.494 8.194 1.00 0.75 H new ATOM 0 HA LYS A 27 7.684 14.688 10.101 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.026 14.312 8.189 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.818 15.641 9.313 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.040 14.141 11.221 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.055 12.737 10.171 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.155 13.576 9.104 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.146 14.950 10.192 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.341 12.022 10.997 1.00 1.93 H new ATOM 0 HE3 LYS A 27 13.644 13.193 11.031 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 12.846 13.061 13.210 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 12.190 14.508 12.610 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 11.218 13.121 12.730 1.00 2.31 H new ATOM 323 N LYS A 28 6.515 14.535 7.338 1.00 0.77 N ATOM 324 CA LYS A 28 5.839 15.149 6.194 1.00 0.80 C ATOM 325 C LYS A 28 6.820 15.552 5.102 1.00 0.71 C ATOM 326 O LYS A 28 6.515 16.390 4.256 1.00 0.75 O ATOM 327 CB LYS A 28 5.001 16.341 6.637 1.00 0.96 C ATOM 328 CG LYS A 28 3.882 15.956 7.585 1.00 1.07 C ATOM 329 CD LYS A 28 3.065 17.157 8.030 1.00 1.24 C ATOM 330 CE LYS A 28 2.019 17.575 6.998 1.00 1.77 C ATOM 331 NZ LYS A 28 2.603 18.262 5.813 1.00 2.39 N ATOM 0 H LYS A 28 6.184 13.596 7.558 1.00 0.77 H new ATOM 0 HA LYS A 28 5.174 14.397 5.769 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.647 17.072 7.123 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.575 16.826 5.759 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.227 15.235 7.097 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.304 15.462 8.460 1.00 1.07 H new ATOM 0 HD2 LYS A 28 2.567 16.924 8.971 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.735 17.995 8.222 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.474 16.692 6.665 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.295 18.237 7.473 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 1.955 19.009 5.491 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 3.517 18.685 6.072 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 2.745 17.573 5.047 1.00 2.39 H new ATOM 345 N ASP A 29 7.994 14.941 5.115 1.00 0.64 N ATOM 346 CA ASP A 29 8.942 15.098 4.032 1.00 0.59 C ATOM 347 C ASP A 29 8.748 13.948 3.065 1.00 0.50 C ATOM 348 O ASP A 29 9.611 13.091 2.912 1.00 0.47 O ATOM 349 CB ASP A 29 10.374 15.134 4.551 1.00 0.60 C ATOM 350 CG ASP A 29 11.051 16.455 4.252 1.00 0.93 C ATOM 351 OD1 ASP A 29 10.818 17.433 4.996 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.835 16.523 3.283 1.00 1.39 O ATOM 0 H ASP A 29 8.311 14.330 5.868 1.00 0.64 H new ATOM 0 HA ASP A 29 8.765 16.047 3.526 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.374 14.962 5.627 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.945 14.323 4.098 1.00 0.60 H new ATOM 357 N PHE A 30 7.589 13.944 2.420 1.00 0.49 N ATOM 358 CA PHE A 30 7.138 12.802 1.644 1.00 0.44 C ATOM 359 C PHE A 30 7.986 12.580 0.397 1.00 0.42 C ATOM 360 O PHE A 30 8.190 11.441 -0.013 1.00 0.43 O ATOM 361 CB PHE A 30 5.653 12.952 1.300 1.00 0.45 C ATOM 362 CG PHE A 30 4.776 12.942 2.526 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.547 11.763 3.213 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.196 14.108 2.999 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.758 11.745 4.347 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.403 14.096 4.129 1.00 0.71 C ATOM 367 CZ PHE A 30 3.183 12.913 4.805 1.00 0.66 C ATOM 0 H PHE A 30 6.939 14.730 2.421 1.00 0.49 H new ATOM 0 HA PHE A 30 7.262 11.910 2.258 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.501 13.884 0.755 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.353 12.142 0.635 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.991 10.845 2.858 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.366 15.038 2.477 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.591 10.818 4.875 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.955 15.012 4.484 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.563 12.901 5.689 1.00 0.66 H new ATOM 377 N ASP A 31 8.509 13.645 -0.193 1.00 0.46 N ATOM 378 CA ASP A 31 9.395 13.489 -1.343 1.00 0.48 C ATOM 379 C ASP A 31 10.684 12.822 -0.894 1.00 0.44 C ATOM 380 O ASP A 31 11.198 11.923 -1.551 1.00 0.42 O ATOM 381 CB ASP A 31 9.718 14.831 -2.005 1.00 0.57 C ATOM 382 CG ASP A 31 8.492 15.540 -2.533 1.00 1.30 C ATOM 383 OD1 ASP A 31 7.960 15.123 -3.584 1.00 1.93 O ATOM 384 OD2 ASP A 31 8.051 16.521 -1.899 1.00 1.61 O ATOM 0 H ASP A 31 8.342 14.609 0.096 1.00 0.46 H new ATOM 0 HA ASP A 31 8.882 12.872 -2.081 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.220 15.475 -1.283 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.417 14.666 -2.825 1.00 0.57 H new ATOM 389 N THR A 32 11.184 13.267 0.246 1.00 0.45 N ATOM 390 CA THR A 32 12.368 12.688 0.859 1.00 0.45 C ATOM 391 C THR A 32 12.094 11.254 1.315 1.00 0.39 C ATOM 392 O THR A 32 12.953 10.376 1.209 1.00 0.38 O ATOM 393 CB THR A 32 12.805 13.542 2.057 1.00 0.50 C ATOM 394 OG1 THR A 32 13.006 14.897 1.633 1.00 0.57 O ATOM 395 CG2 THR A 32 14.077 13.010 2.686 1.00 0.52 C ATOM 0 H THR A 32 10.780 14.041 0.774 1.00 0.45 H new ATOM 0 HA THR A 32 13.167 12.669 0.118 1.00 0.45 H new ATOM 0 HB THR A 32 12.016 13.499 2.808 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.298 15.464 2.003 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.356 13.640 3.531 1.00 0.52 H new ATOM 0 HG22 THR A 32 13.912 11.990 3.033 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.879 13.017 1.948 1.00 0.52 H new ATOM 403 N ALA A 33 10.889 11.027 1.821 1.00 0.38 N ATOM 404 CA ALA A 33 10.456 9.695 2.206 1.00 0.36 C ATOM 405 C ALA A 33 10.483 8.768 1.006 1.00 0.30 C ATOM 406 O ALA A 33 11.130 7.719 1.024 1.00 0.28 O ATOM 407 CB ALA A 33 9.057 9.741 2.792 1.00 0.39 C ATOM 0 H ALA A 33 10.191 11.755 1.974 1.00 0.38 H new ATOM 0 HA ALA A 33 11.141 9.315 2.964 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.748 8.735 3.075 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.052 10.383 3.673 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.364 10.138 2.050 1.00 0.39 H new ATOM 413 N LEU A 34 9.801 9.187 -0.048 1.00 0.29 N ATOM 414 CA LEU A 34 9.714 8.412 -1.271 1.00 0.26 C ATOM 415 C LEU A 34 11.095 8.270 -1.905 1.00 0.26 C ATOM 416 O LEU A 34 11.367 7.309 -2.617 1.00 0.26 O ATOM 417 CB LEU A 34 8.738 9.089 -2.237 1.00 0.28 C ATOM 418 CG LEU A 34 8.103 8.188 -3.301 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.659 8.492 -4.678 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.298 6.720 -2.966 1.00 0.53 C ATOM 0 H LEU A 34 9.294 10.072 -0.078 1.00 0.29 H new ATOM 0 HA LEU A 34 9.344 7.413 -1.041 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.939 9.544 -1.653 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.264 9.899 -2.743 1.00 0.28 H new ATOM 0 HG LEU A 34 7.033 8.398 -3.309 1.00 0.33 H new ATOM 0 HD11 LEU A 34 8.190 7.837 -5.412 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.451 9.531 -4.933 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.736 8.326 -4.680 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.837 6.106 -3.739 1.00 0.53 H new ATOM 0 HD22 LEU A 34 9.364 6.497 -2.914 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.834 6.502 -2.004 1.00 0.53 H new ATOM 432 N LYS A 35 11.965 9.231 -1.622 1.00 0.31 N ATOM 433 CA LYS A 35 13.329 9.214 -2.126 1.00 0.33 C ATOM 434 C LYS A 35 14.073 7.983 -1.618 1.00 0.29 C ATOM 435 O LYS A 35 14.690 7.254 -2.392 1.00 0.30 O ATOM 436 CB LYS A 35 14.062 10.480 -1.678 1.00 0.40 C ATOM 437 CG LYS A 35 15.007 11.053 -2.719 1.00 0.49 C ATOM 438 CD LYS A 35 14.250 11.570 -3.935 1.00 0.53 C ATOM 439 CE LYS A 35 13.401 12.789 -3.597 1.00 0.60 C ATOM 440 NZ LYS A 35 14.224 14.010 -3.400 1.00 1.41 N ATOM 0 H LYS A 35 11.745 10.039 -1.040 1.00 0.31 H new ATOM 0 HA LYS A 35 13.297 9.178 -3.215 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.325 11.239 -1.415 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.628 10.258 -0.773 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.587 11.864 -2.278 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.716 10.286 -3.030 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.959 11.828 -4.722 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.611 10.780 -4.328 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.683 12.963 -4.398 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.827 12.590 -2.692 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.601 14.824 -3.222 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.857 13.874 -2.586 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.791 14.188 -4.254 1.00 1.41 H new ATOM 454 N HIS A 36 13.991 7.742 -0.314 1.00 0.29 N ATOM 455 CA HIS A 36 14.689 6.610 0.291 1.00 0.29 C ATOM 456 C HIS A 36 13.915 5.326 0.086 1.00 0.25 C ATOM 457 O HIS A 36 14.499 4.256 -0.003 1.00 0.27 O ATOM 458 CB HIS A 36 14.911 6.815 1.781 1.00 0.38 C ATOM 459 CG HIS A 36 15.798 7.959 2.112 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.169 7.883 2.071 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.499 9.212 2.506 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.680 9.045 2.425 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.685 9.873 2.694 1.00 0.46 N ATOM 0 H HIS A 36 13.453 8.309 0.341 1.00 0.29 H new ATOM 0 HA HIS A 36 15.658 6.540 -0.204 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.945 6.967 2.263 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.338 5.905 2.202 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.707 7.057 1.808 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.509 9.620 2.647 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.732 9.281 2.485 1.00 0.47 H new ATOM 472 N TYR A 37 12.597 5.431 0.038 1.00 0.22 N ATOM 473 CA TYR A 37 11.761 4.275 -0.241 1.00 0.21 C ATOM 474 C TYR A 37 12.066 3.727 -1.629 1.00 0.21 C ATOM 475 O TYR A 37 12.184 2.519 -1.824 1.00 0.24 O ATOM 476 CB TYR A 37 10.287 4.645 -0.136 1.00 0.22 C ATOM 477 CG TYR A 37 9.721 4.563 1.263 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.911 3.432 2.040 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.961 5.596 1.788 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.363 3.337 3.303 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.397 5.502 3.043 1.00 0.41 C ATOM 482 CZ TYR A 37 8.601 4.370 3.795 1.00 0.36 C ATOM 483 OH TYR A 37 8.022 4.260 5.035 1.00 0.48 O ATOM 0 H TYR A 37 12.085 6.300 0.188 1.00 0.22 H new ATOM 0 HA TYR A 37 11.979 3.504 0.498 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.152 5.660 -0.511 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.712 3.986 -0.787 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.497 2.612 1.651 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.808 6.491 1.204 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.532 2.455 3.902 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.799 6.313 3.432 1.00 0.41 H new ATOM 0 HH TYR A 37 7.072 4.491 4.974 1.00 0.48 H new ATOM 493 N ASP A 38 12.203 4.636 -2.585 1.00 0.25 N ATOM 494 CA ASP A 38 12.585 4.280 -3.945 1.00 0.31 C ATOM 495 C ASP A 38 14.006 3.759 -3.979 1.00 0.30 C ATOM 496 O ASP A 38 14.308 2.780 -4.661 1.00 0.32 O ATOM 497 CB ASP A 38 12.436 5.495 -4.852 1.00 0.42 C ATOM 498 CG ASP A 38 13.081 5.308 -6.208 1.00 0.78 C ATOM 499 OD1 ASP A 38 12.485 4.628 -7.070 1.00 0.68 O ATOM 500 OD2 ASP A 38 14.189 5.849 -6.418 1.00 1.51 O ATOM 0 H ASP A 38 12.054 5.635 -2.441 1.00 0.25 H new ATOM 0 HA ASP A 38 11.928 3.488 -4.304 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.376 5.712 -4.987 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.879 6.362 -4.363 1.00 0.42 H new ATOM 505 N LYS A 39 14.871 4.422 -3.230 1.00 0.30 N ATOM 506 CA LYS A 39 16.240 3.964 -3.050 1.00 0.32 C ATOM 507 C LYS A 39 16.247 2.524 -2.535 1.00 0.29 C ATOM 508 O LYS A 39 16.941 1.670 -3.075 1.00 0.32 O ATOM 509 CB LYS A 39 16.980 4.880 -2.072 1.00 0.35 C ATOM 510 CG LYS A 39 18.452 4.546 -1.914 1.00 0.41 C ATOM 511 CD LYS A 39 19.244 4.856 -3.172 1.00 0.47 C ATOM 512 CE LYS A 39 20.686 4.409 -3.024 1.00 0.54 C ATOM 513 NZ LYS A 39 21.514 4.768 -4.203 1.00 1.25 N ATOM 0 H LYS A 39 14.648 5.285 -2.734 1.00 0.30 H new ATOM 0 HA LYS A 39 16.752 3.996 -4.012 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.886 5.911 -2.412 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.497 4.821 -1.097 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.864 5.111 -1.078 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.560 3.489 -1.669 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.789 4.355 -4.026 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.209 5.926 -3.375 1.00 0.47 H new ATOM 0 HE2 LYS A 39 21.114 4.863 -2.131 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.716 3.329 -2.878 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.490 4.442 -4.054 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.123 4.314 -5.053 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.510 5.800 -4.329 1.00 1.25 H new ATOM 527 N ALA A 40 15.439 2.260 -1.514 1.00 0.25 N ATOM 528 CA ALA A 40 15.334 0.927 -0.933 1.00 0.24 C ATOM 529 C ALA A 40 14.825 -0.081 -1.955 1.00 0.22 C ATOM 530 O ALA A 40 15.202 -1.244 -1.916 1.00 0.26 O ATOM 531 CB ALA A 40 14.429 0.943 0.292 1.00 0.22 C ATOM 0 H ALA A 40 14.843 2.958 -1.069 1.00 0.25 H new ATOM 0 HA ALA A 40 16.333 0.620 -0.624 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.365 -0.062 0.710 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.840 1.621 1.040 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.433 1.281 0.004 1.00 0.22 H new ATOM 537 N LYS A 41 13.975 0.367 -2.870 1.00 0.23 N ATOM 538 CA LYS A 41 13.470 -0.508 -3.922 1.00 0.26 C ATOM 539 C LYS A 41 14.554 -0.787 -4.962 1.00 0.31 C ATOM 540 O LYS A 41 14.546 -1.824 -5.619 1.00 0.37 O ATOM 541 CB LYS A 41 12.239 0.097 -4.597 1.00 0.29 C ATOM 542 CG LYS A 41 11.657 -0.783 -5.689 1.00 0.41 C ATOM 543 CD LYS A 41 10.514 -0.096 -6.407 1.00 0.78 C ATOM 544 CE LYS A 41 9.902 -0.996 -7.465 1.00 0.89 C ATOM 545 NZ LYS A 41 10.858 -1.305 -8.561 1.00 1.37 N ATOM 0 H LYS A 41 13.622 1.323 -2.906 1.00 0.23 H new ATOM 0 HA LYS A 41 13.180 -1.450 -3.457 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.474 0.281 -3.843 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.506 1.064 -5.023 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.437 -1.038 -6.406 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.305 -1.719 -5.254 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.749 0.191 -5.685 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.874 0.822 -6.872 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.571 -1.925 -7.002 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.017 -0.514 -7.882 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.357 -1.792 -9.332 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.271 -0.421 -8.921 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.615 -1.919 -8.198 1.00 1.37 H new ATOM 559 N GLU A 42 15.485 0.143 -5.121 1.00 0.32 N ATOM 560 CA GLU A 42 16.614 -0.075 -6.016 1.00 0.38 C ATOM 561 C GLU A 42 17.635 -0.987 -5.353 1.00 0.40 C ATOM 562 O GLU A 42 18.398 -1.680 -6.024 1.00 0.50 O ATOM 563 CB GLU A 42 17.268 1.248 -6.415 1.00 0.43 C ATOM 564 CG GLU A 42 16.348 2.170 -7.198 1.00 1.11 C ATOM 565 CD GLU A 42 17.091 3.327 -7.828 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.410 4.296 -7.106 1.00 2.78 O ATOM 567 OE2 GLU A 42 17.352 3.287 -9.046 1.00 2.03 O ATOM 0 H GLU A 42 15.483 1.047 -4.648 1.00 0.32 H new ATOM 0 HA GLU A 42 16.242 -0.552 -6.922 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.605 1.763 -5.515 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.155 1.039 -7.014 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.843 1.599 -7.977 1.00 1.11 H new ATOM 0 HG3 GLU A 42 15.575 2.557 -6.534 1.00 1.11 H new ATOM 574 N LEU A 43 17.648 -0.972 -4.028 1.00 0.36 N ATOM 575 CA LEU A 43 18.515 -1.852 -3.258 1.00 0.39 C ATOM 576 C LEU A 43 17.908 -3.244 -3.168 1.00 0.39 C ATOM 577 O LEU A 43 18.602 -4.250 -3.323 1.00 0.49 O ATOM 578 CB LEU A 43 18.762 -1.286 -1.862 1.00 0.39 C ATOM 579 CG LEU A 43 19.924 -0.300 -1.757 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.748 0.828 -2.733 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.014 0.251 -0.360 1.00 0.45 C ATOM 0 H LEU A 43 17.065 -0.357 -3.461 1.00 0.36 H new ATOM 0 HA LEU A 43 19.475 -1.921 -3.770 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.853 -0.789 -1.523 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.947 -2.115 -1.179 1.00 0.39 H new ATOM 0 HG LEU A 43 20.846 -0.832 -1.994 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.585 1.520 -2.644 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.713 0.430 -3.747 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.818 1.354 -2.518 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.846 0.952 -0.298 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.086 0.766 -0.112 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.175 -0.566 0.344 1.00 0.45 H new ATOM 593 N ASP A 44 16.605 -3.297 -2.926 1.00 0.32 N ATOM 594 CA ASP A 44 15.896 -4.562 -2.900 1.00 0.33 C ATOM 595 C ASP A 44 14.550 -4.441 -3.607 1.00 0.32 C ATOM 596 O ASP A 44 13.539 -4.099 -2.993 1.00 0.33 O ATOM 597 CB ASP A 44 15.673 -5.051 -1.474 1.00 0.40 C ATOM 598 CG ASP A 44 15.369 -6.536 -1.411 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.700 -7.061 -2.325 1.00 0.52 O ATOM 600 OD2 ASP A 44 15.800 -7.191 -0.437 1.00 1.11 O ATOM 0 H ASP A 44 16.022 -2.480 -2.746 1.00 0.32 H new ATOM 0 HA ASP A 44 16.518 -5.288 -3.423 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.560 -4.839 -0.878 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.849 -4.495 -1.027 1.00 0.40 H new ATOM 605 N PRO A 45 14.524 -4.726 -4.913 1.00 0.41 N ATOM 606 CA PRO A 45 13.299 -4.672 -5.714 1.00 0.49 C ATOM 607 C PRO A 45 12.368 -5.850 -5.442 1.00 0.47 C ATOM 608 O PRO A 45 11.217 -5.855 -5.881 1.00 0.59 O ATOM 609 CB PRO A 45 13.825 -4.734 -7.146 1.00 0.64 C ATOM 610 CG PRO A 45 15.089 -5.509 -7.032 1.00 0.63 C ATOM 611 CD PRO A 45 15.692 -5.109 -5.719 1.00 0.52 C ATOM 0 HA PRO A 45 12.704 -3.786 -5.492 1.00 0.49 H new ATOM 0 HB2 PRO A 45 13.115 -5.225 -7.811 1.00 0.64 H new ATOM 0 HB3 PRO A 45 14.003 -3.737 -7.549 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.895 -6.581 -7.064 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.763 -5.282 -7.858 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.244 -5.931 -5.263 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.391 -4.281 -5.833 1.00 0.52 H new ATOM 619 N THR A 46 12.871 -6.848 -4.723 1.00 0.39 N ATOM 620 CA THR A 46 12.092 -8.041 -4.434 1.00 0.40 C ATOM 621 C THR A 46 11.422 -7.933 -3.071 1.00 0.40 C ATOM 622 O THR A 46 10.637 -8.798 -2.674 1.00 0.42 O ATOM 623 CB THR A 46 12.958 -9.314 -4.489 1.00 0.42 C ATOM 624 OG1 THR A 46 14.069 -9.223 -3.581 1.00 0.45 O ATOM 625 CG2 THR A 46 13.474 -9.552 -5.898 1.00 0.46 C ATOM 0 H THR A 46 13.813 -6.852 -4.332 1.00 0.39 H new ATOM 0 HA THR A 46 11.325 -8.117 -5.204 1.00 0.40 H new ATOM 0 HB THR A 46 12.328 -10.153 -4.191 1.00 0.42 H new ATOM 0 HG1 THR A 46 14.022 -8.376 -3.090 1.00 0.45 H new ATOM 0 HG21 THR A 46 14.083 -10.456 -5.915 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.631 -9.670 -6.579 1.00 0.46 H new ATOM 0 HG23 THR A 46 14.078 -8.701 -6.213 1.00 0.46 H new ATOM 633 N ASN A 47 11.739 -6.867 -2.351 1.00 0.52 N ATOM 634 CA ASN A 47 11.130 -6.622 -1.057 1.00 0.56 C ATOM 635 C ASN A 47 9.882 -5.779 -1.232 1.00 0.56 C ATOM 636 O ASN A 47 9.948 -4.549 -1.284 1.00 0.89 O ATOM 637 CB ASN A 47 12.112 -5.933 -0.116 1.00 0.78 C ATOM 638 CG ASN A 47 11.644 -5.963 1.323 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.920 -6.911 2.057 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.944 -4.922 1.744 1.00 1.47 N ATOM 0 H ASN A 47 12.414 -6.160 -2.643 1.00 0.52 H new ATOM 0 HA ASN A 47 10.856 -7.579 -0.612 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.085 -6.419 -0.190 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.248 -4.898 -0.430 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.613 -4.886 2.708 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.736 -4.155 1.104 1.00 1.47 H new ATOM 647 N MET A 48 8.747 -6.462 -1.315 1.00 0.29 N ATOM 648 CA MET A 48 7.461 -5.828 -1.596 1.00 0.26 C ATOM 649 C MET A 48 7.171 -4.690 -0.622 1.00 0.24 C ATOM 650 O MET A 48 6.516 -3.708 -0.971 1.00 0.24 O ATOM 651 CB MET A 48 6.345 -6.875 -1.527 1.00 0.22 C ATOM 652 CG MET A 48 5.833 -7.171 -0.123 1.00 0.19 C ATOM 653 SD MET A 48 4.471 -6.100 0.376 1.00 1.05 S ATOM 654 CE MET A 48 3.292 -6.462 -0.916 1.00 0.27 C ATOM 0 H MET A 48 8.690 -7.473 -1.189 1.00 0.29 H new ATOM 0 HA MET A 48 7.505 -5.403 -2.599 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.509 -6.536 -2.139 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.708 -7.803 -1.969 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.507 -8.210 -0.074 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.653 -7.060 0.587 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.305 -6.609 -0.477 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.256 -5.630 -1.619 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.594 -7.368 -1.441 1.00 0.27 H new ATOM 664 N THR A 49 7.680 -4.823 0.594 1.00 0.24 N ATOM 665 CA THR A 49 7.397 -3.878 1.652 1.00 0.26 C ATOM 666 C THR A 49 7.930 -2.486 1.323 1.00 0.28 C ATOM 667 O THR A 49 7.340 -1.480 1.712 1.00 0.39 O ATOM 668 CB THR A 49 7.999 -4.366 2.978 1.00 0.29 C ATOM 669 OG1 THR A 49 7.683 -5.752 3.166 1.00 0.71 O ATOM 670 CG2 THR A 49 7.470 -3.555 4.147 1.00 0.64 C ATOM 0 H THR A 49 8.297 -5.587 0.869 1.00 0.24 H new ATOM 0 HA THR A 49 6.313 -3.810 1.749 1.00 0.26 H new ATOM 0 HB THR A 49 9.081 -4.237 2.935 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.069 -6.064 4.011 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.912 -3.921 5.074 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.732 -2.506 4.010 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.386 -3.655 4.198 1.00 0.64 H new ATOM 678 N TYR A 50 9.027 -2.423 0.578 1.00 0.23 N ATOM 679 CA TYR A 50 9.607 -1.136 0.221 1.00 0.23 C ATOM 680 C TYR A 50 8.714 -0.439 -0.783 1.00 0.26 C ATOM 681 O TYR A 50 8.574 0.781 -0.776 1.00 0.42 O ATOM 682 CB TYR A 50 11.009 -1.292 -0.367 1.00 0.21 C ATOM 683 CG TYR A 50 12.010 -1.925 0.571 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.838 -1.835 1.942 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.127 -2.604 0.095 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.748 -2.395 2.811 1.00 0.35 C ATOM 687 CE2 TYR A 50 14.039 -3.170 0.967 1.00 0.31 C ATOM 688 CZ TYR A 50 13.856 -3.117 2.269 1.00 0.34 C ATOM 689 OH TYR A 50 14.753 -3.606 3.198 1.00 0.44 O ATOM 0 H TYR A 50 9.526 -3.235 0.214 1.00 0.23 H new ATOM 0 HA TYR A 50 9.687 -0.541 1.131 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.945 -1.895 -1.273 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.377 -0.310 -0.664 1.00 0.21 H new ATOM 0 HD1 TYR A 50 10.976 -1.317 2.336 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.284 -2.690 -0.970 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.627 -2.291 3.879 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.915 -3.663 0.573 1.00 0.31 H new ATOM 0 HH TYR A 50 15.473 -4.084 2.737 1.00 0.44 H new ATOM 699 N ILE A 51 8.082 -1.244 -1.616 1.00 0.18 N ATOM 700 CA ILE A 51 7.263 -0.741 -2.696 1.00 0.19 C ATOM 701 C ILE A 51 5.900 -0.274 -2.181 1.00 0.19 C ATOM 702 O ILE A 51 5.369 0.742 -2.630 1.00 0.22 O ATOM 703 CB ILE A 51 7.070 -1.827 -3.772 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.429 -2.301 -4.305 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.197 -1.308 -4.909 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.347 -3.585 -5.102 1.00 0.33 C ATOM 0 H ILE A 51 8.123 -2.262 -1.561 1.00 0.18 H new ATOM 0 HA ILE A 51 7.777 0.113 -3.136 1.00 0.19 H new ATOM 0 HB ILE A 51 6.564 -2.678 -3.316 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.858 -1.519 -4.932 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.110 -2.446 -3.466 1.00 0.25 H new ATOM 0 HG21 ILE A 51 6.073 -2.090 -5.658 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.221 -1.023 -4.517 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.672 -0.440 -5.366 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.343 -3.862 -5.448 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.948 -4.380 -4.472 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.692 -3.439 -5.961 1.00 0.33 H new ATOM 718 N THR A 52 5.337 -1.006 -1.228 1.00 0.20 N ATOM 719 CA THR A 52 4.056 -0.625 -0.646 1.00 0.24 C ATOM 720 C THR A 52 4.219 0.613 0.221 1.00 0.24 C ATOM 721 O THR A 52 3.318 1.445 0.318 1.00 0.27 O ATOM 722 CB THR A 52 3.443 -1.756 0.198 1.00 0.27 C ATOM 723 OG1 THR A 52 4.319 -2.109 1.274 1.00 0.28 O ATOM 724 CG2 THR A 52 3.178 -2.978 -0.650 1.00 0.26 C ATOM 0 H THR A 52 5.743 -1.860 -0.844 1.00 0.20 H new ATOM 0 HA THR A 52 3.379 -0.415 -1.475 1.00 0.24 H new ATOM 0 HB THR A 52 2.498 -1.394 0.603 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.225 -1.793 1.075 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.745 -3.764 -0.031 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.483 -2.722 -1.450 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.114 -3.331 -1.082 1.00 0.26 H new ATOM 732 N ASN A 53 5.378 0.728 0.853 1.00 0.25 N ATOM 733 CA ASN A 53 5.693 1.898 1.656 1.00 0.27 C ATOM 734 C ASN A 53 5.989 3.089 0.752 1.00 0.24 C ATOM 735 O ASN A 53 5.706 4.234 1.104 1.00 0.27 O ATOM 736 CB ASN A 53 6.873 1.615 2.581 1.00 0.34 C ATOM 737 CG ASN A 53 6.494 0.806 3.811 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.083 0.975 4.876 1.00 1.59 O ATOM 739 ND2 ASN A 53 5.524 -0.084 3.676 1.00 1.42 N ATOM 0 H ASN A 53 6.116 0.024 0.824 1.00 0.25 H new ATOM 0 HA ASN A 53 4.829 2.138 2.276 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.641 1.078 2.024 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.312 2.561 2.898 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.243 -0.657 4.472 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.057 -0.197 2.776 1.00 1.42 H new ATOM 746 N GLN A 54 6.567 2.808 -0.412 1.00 0.23 N ATOM 747 CA GLN A 54 6.669 3.793 -1.483 1.00 0.25 C ATOM 748 C GLN A 54 5.289 4.332 -1.811 1.00 0.25 C ATOM 749 O GLN A 54 5.052 5.540 -1.822 1.00 0.28 O ATOM 750 CB GLN A 54 7.218 3.147 -2.749 1.00 0.27 C ATOM 751 CG GLN A 54 8.717 3.192 -2.918 1.00 0.40 C ATOM 752 CD GLN A 54 9.135 2.458 -4.174 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.559 1.431 -4.524 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.073 3.024 -4.909 1.00 1.34 N ATOM 0 H GLN A 54 6.974 1.900 -0.638 1.00 0.23 H new ATOM 0 HA GLN A 54 7.332 4.590 -1.148 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.901 2.104 -2.768 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.760 3.635 -3.610 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.052 4.228 -2.968 1.00 0.40 H new ATOM 0 HG3 GLN A 54 9.200 2.742 -2.050 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.529 3.877 -4.585 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.342 2.609 -5.801 1.00 1.34 H new ATOM 763 N ALA A 55 4.391 3.398 -2.095 1.00 0.24 N ATOM 764 CA ALA A 55 3.015 3.706 -2.443 1.00 0.25 C ATOM 765 C ALA A 55 2.337 4.511 -1.341 1.00 0.26 C ATOM 766 O ALA A 55 1.538 5.407 -1.613 1.00 0.30 O ATOM 767 CB ALA A 55 2.266 2.411 -2.706 1.00 0.24 C ATOM 0 H ALA A 55 4.601 2.400 -2.090 1.00 0.24 H new ATOM 0 HA ALA A 55 3.004 4.318 -3.345 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.232 2.635 -2.968 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.741 1.877 -3.529 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.287 1.790 -1.810 1.00 0.24 H new ATOM 773 N ALA A 56 2.679 4.189 -0.097 1.00 0.26 N ATOM 774 CA ALA A 56 2.174 4.913 1.064 1.00 0.27 C ATOM 775 C ALA A 56 2.502 6.397 0.970 1.00 0.26 C ATOM 776 O ALA A 56 1.724 7.242 1.416 1.00 0.30 O ATOM 777 CB ALA A 56 2.755 4.336 2.344 1.00 0.29 C ATOM 0 H ALA A 56 3.311 3.422 0.134 1.00 0.26 H new ATOM 0 HA ALA A 56 1.090 4.800 1.082 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.368 4.888 3.200 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.473 3.287 2.431 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.842 4.419 2.320 1.00 0.29 H new ATOM 783 N VAL A 57 3.656 6.707 0.394 1.00 0.26 N ATOM 784 CA VAL A 57 4.059 8.090 0.201 1.00 0.27 C ATOM 785 C VAL A 57 3.157 8.771 -0.803 1.00 0.26 C ATOM 786 O VAL A 57 2.692 9.879 -0.571 1.00 0.30 O ATOM 787 CB VAL A 57 5.509 8.221 -0.281 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.834 9.675 -0.545 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.466 7.627 0.731 1.00 0.30 C ATOM 0 H VAL A 57 4.327 6.019 0.053 1.00 0.26 H new ATOM 0 HA VAL A 57 3.976 8.569 1.176 1.00 0.27 H new ATOM 0 HB VAL A 57 5.623 7.665 -1.211 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.865 9.761 -0.887 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.164 10.064 -1.311 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.707 10.249 0.373 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.489 7.731 0.369 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.362 8.151 1.681 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.237 6.571 0.873 1.00 0.30 H new ATOM 799 N TYR A 58 2.920 8.104 -1.920 1.00 0.25 N ATOM 800 CA TYR A 58 2.049 8.640 -2.952 1.00 0.27 C ATOM 801 C TYR A 58 0.651 8.869 -2.396 1.00 0.28 C ATOM 802 O TYR A 58 0.011 9.864 -2.711 1.00 0.29 O ATOM 803 CB TYR A 58 2.001 7.702 -4.149 1.00 0.27 C ATOM 804 CG TYR A 58 3.279 7.680 -4.958 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.515 8.620 -5.950 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.255 6.722 -4.721 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.685 8.607 -6.681 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.427 6.701 -5.449 1.00 0.30 C ATOM 809 CZ TYR A 58 5.616 7.635 -6.460 1.00 0.33 C ATOM 810 OH TYR A 58 6.806 7.633 -7.154 1.00 0.37 O ATOM 0 H TYR A 58 3.319 7.190 -2.135 1.00 0.25 H new ATOM 0 HA TYR A 58 2.451 9.597 -3.283 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.786 6.692 -3.799 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.176 7.997 -4.798 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.770 9.375 -6.154 1.00 0.35 H new ATOM 0 HD2 TYR A 58 4.094 5.980 -3.953 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.864 9.366 -7.428 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.189 5.966 -5.235 1.00 0.30 H new ATOM 0 HH TYR A 58 7.055 8.554 -7.379 1.00 0.37 H new ATOM 820 N PHE A 59 0.202 7.956 -1.546 1.00 0.30 N ATOM 821 CA PHE A 59 -1.080 8.093 -0.862 1.00 0.32 C ATOM 822 C PHE A 59 -1.131 9.408 -0.082 1.00 0.35 C ATOM 823 O PHE A 59 -2.076 10.189 -0.216 1.00 0.42 O ATOM 824 CB PHE A 59 -1.273 6.906 0.073 1.00 0.33 C ATOM 825 CG PHE A 59 -2.653 6.798 0.657 1.00 0.35 C ATOM 826 CD1 PHE A 59 -2.992 7.490 1.809 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.609 6.000 0.053 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.259 7.389 2.346 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.878 5.895 0.586 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.203 6.590 1.735 1.00 0.47 C ATOM 0 H PHE A 59 0.711 7.104 -1.311 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.885 8.108 -1.596 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.049 5.989 -0.472 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.551 6.978 0.887 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.256 8.116 2.292 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.360 5.454 -0.845 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.511 7.935 3.243 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.616 5.270 0.105 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.195 6.508 2.154 1.00 0.47 H new ATOM 840 N GLU A 60 -0.098 9.652 0.714 1.00 0.34 N ATOM 841 CA GLU A 60 0.019 10.891 1.481 1.00 0.37 C ATOM 842 C GLU A 60 0.206 12.092 0.557 1.00 0.35 C ATOM 843 O GLU A 60 -0.314 13.179 0.808 1.00 0.41 O ATOM 844 CB GLU A 60 1.196 10.791 2.441 1.00 0.39 C ATOM 845 CG GLU A 60 0.998 9.761 3.535 1.00 0.44 C ATOM 846 CD GLU A 60 -0.164 10.087 4.448 1.00 0.91 C ATOM 847 OE1 GLU A 60 -0.066 11.064 5.219 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.179 9.361 4.405 1.00 1.07 O ATOM 0 H GLU A 60 0.678 9.004 0.848 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.903 11.034 2.045 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.095 10.542 1.877 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.366 11.766 2.897 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.834 8.784 3.081 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.910 9.688 4.128 1.00 0.44 H new ATOM 855 N LYS A 61 0.951 11.874 -0.515 1.00 0.32 N ATOM 856 CA LYS A 61 1.235 12.902 -1.503 1.00 0.33 C ATOM 857 C LYS A 61 -0.035 13.346 -2.234 1.00 0.35 C ATOM 858 O LYS A 61 -0.159 14.503 -2.636 1.00 0.40 O ATOM 859 CB LYS A 61 2.260 12.369 -2.505 1.00 0.33 C ATOM 860 CG LYS A 61 3.667 12.901 -2.282 1.00 0.48 C ATOM 861 CD LYS A 61 4.728 12.036 -2.960 1.00 0.49 C ATOM 862 CE LYS A 61 4.310 11.559 -4.346 1.00 0.36 C ATOM 863 NZ LYS A 61 3.973 12.685 -5.262 1.00 1.10 N ATOM 0 H LYS A 61 1.379 10.972 -0.725 1.00 0.32 H new ATOM 0 HA LYS A 61 1.639 13.773 -0.987 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.279 11.281 -2.447 1.00 0.33 H new ATOM 0 HB3 LYS A 61 1.938 12.629 -3.513 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.733 13.919 -2.665 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.870 12.949 -1.212 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.655 12.604 -3.041 1.00 0.49 H new ATOM 0 HD3 LYS A 61 4.939 11.170 -2.332 1.00 0.49 H new ATOM 0 HE2 LYS A 61 5.117 10.970 -4.782 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.447 10.899 -4.254 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 2.968 12.631 -5.523 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 4.158 13.589 -4.783 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 4.558 12.621 -6.120 1.00 1.10 H new ATOM 877 N GLY A 62 -0.985 12.430 -2.378 1.00 0.34 N ATOM 878 CA GLY A 62 -2.189 12.715 -3.136 1.00 0.36 C ATOM 879 C GLY A 62 -2.227 11.937 -4.435 1.00 0.33 C ATOM 880 O GLY A 62 -3.202 11.995 -5.183 1.00 0.35 O ATOM 0 H GLY A 62 -0.943 11.491 -1.982 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.065 12.466 -2.536 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.241 13.783 -3.349 1.00 0.36 H new ATOM 884 N ASP A 63 -1.159 11.197 -4.692 1.00 0.31 N ATOM 885 CA ASP A 63 -1.073 10.337 -5.861 1.00 0.30 C ATOM 886 C ASP A 63 -1.659 8.967 -5.555 1.00 0.27 C ATOM 887 O ASP A 63 -0.940 7.968 -5.481 1.00 0.32 O ATOM 888 CB ASP A 63 0.377 10.188 -6.313 1.00 0.32 C ATOM 889 CG ASP A 63 0.858 11.349 -7.153 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.357 11.514 -8.286 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.753 12.092 -6.694 1.00 1.26 O ATOM 0 H ASP A 63 -0.330 11.176 -4.098 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.646 10.798 -6.665 1.00 0.30 H new ATOM 0 HB2 ASP A 63 1.017 10.092 -5.436 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.480 9.266 -6.885 1.00 0.32 H new ATOM 896 N TYR A 64 -2.971 8.926 -5.383 1.00 0.27 N ATOM 897 CA TYR A 64 -3.659 7.692 -5.033 1.00 0.28 C ATOM 898 C TYR A 64 -3.562 6.678 -6.164 1.00 0.29 C ATOM 899 O TYR A 64 -3.532 5.471 -5.925 1.00 0.34 O ATOM 900 CB TYR A 64 -5.123 7.973 -4.694 1.00 0.29 C ATOM 901 CG TYR A 64 -5.294 8.917 -3.526 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.118 8.478 -2.222 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.626 10.250 -3.730 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.270 9.338 -1.153 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.779 11.118 -2.665 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.613 10.650 -1.377 1.00 0.38 C ATOM 907 OH TYR A 64 -5.748 11.516 -0.316 1.00 0.43 O ATOM 0 H TYR A 64 -3.583 9.736 -5.480 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.173 7.270 -4.153 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.617 8.395 -5.569 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.624 7.032 -4.468 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.858 7.446 -2.040 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.767 10.614 -4.737 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.120 8.981 -0.145 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.027 12.155 -2.839 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.993 12.405 -0.648 1.00 0.43 H new ATOM 917 N ASN A 65 -3.491 7.172 -7.394 1.00 0.31 N ATOM 918 CA ASN A 65 -3.374 6.302 -8.557 1.00 0.37 C ATOM 919 C ASN A 65 -2.035 5.578 -8.570 1.00 0.33 C ATOM 920 O ASN A 65 -1.968 4.394 -8.895 1.00 0.34 O ATOM 921 CB ASN A 65 -3.565 7.087 -9.853 1.00 0.47 C ATOM 922 CG ASN A 65 -5.007 7.501 -10.097 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.270 8.542 -10.697 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.954 6.691 -9.639 1.00 2.18 N ATOM 0 H ASN A 65 -3.512 8.168 -7.611 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.166 5.556 -8.488 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.938 7.978 -9.826 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.221 6.481 -10.691 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.937 6.924 -9.781 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.699 5.836 -9.146 1.00 2.18 H new ATOM 931 N LYS A 66 -0.966 6.281 -8.207 1.00 0.34 N ATOM 932 CA LYS A 66 0.349 5.657 -8.123 1.00 0.32 C ATOM 933 C LYS A 66 0.419 4.728 -6.921 1.00 0.31 C ATOM 934 O LYS A 66 1.096 3.701 -6.957 1.00 0.32 O ATOM 935 CB LYS A 66 1.453 6.691 -7.996 1.00 0.29 C ATOM 936 CG LYS A 66 2.844 6.084 -8.056 1.00 0.40 C ATOM 937 CD LYS A 66 3.173 5.492 -9.413 1.00 0.63 C ATOM 938 CE LYS A 66 4.625 5.040 -9.455 1.00 0.42 C ATOM 939 NZ LYS A 66 4.993 4.446 -10.765 1.00 0.68 N ATOM 0 H LYS A 66 -0.984 7.273 -7.969 1.00 0.34 H new ATOM 0 HA LYS A 66 0.494 5.094 -9.045 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.349 7.426 -8.794 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.336 7.225 -7.053 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.580 6.850 -7.812 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.929 5.307 -7.296 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.516 4.647 -9.617 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.993 6.232 -10.193 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.274 5.891 -9.249 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.798 4.309 -8.666 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.991 4.153 -10.745 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.393 3.617 -10.951 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.854 5.151 -11.517 1.00 0.68 H new ATOM 953 N CYS A 67 -0.259 5.106 -5.848 1.00 0.31 N ATOM 954 CA CYS A 67 -0.338 4.260 -4.668 1.00 0.32 C ATOM 955 C CYS A 67 -0.987 2.930 -5.036 1.00 0.36 C ATOM 956 O CYS A 67 -0.485 1.862 -4.689 1.00 0.39 O ATOM 957 CB CYS A 67 -1.127 4.965 -3.563 1.00 0.33 C ATOM 958 SG CYS A 67 -1.448 3.945 -2.108 1.00 1.29 S ATOM 0 H CYS A 67 -0.761 5.991 -5.770 1.00 0.31 H new ATOM 0 HA CYS A 67 0.667 4.067 -4.293 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.579 5.855 -3.254 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.079 5.303 -3.972 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.722 3.704 -2.019 1.00 1.29 H new ATOM 964 N ARG A 68 -2.092 3.015 -5.768 1.00 0.38 N ATOM 965 CA ARG A 68 -2.761 1.839 -6.307 1.00 0.45 C ATOM 966 C ARG A 68 -1.805 1.077 -7.223 1.00 0.42 C ATOM 967 O ARG A 68 -1.744 -0.156 -7.201 1.00 0.48 O ATOM 968 CB ARG A 68 -4.016 2.289 -7.075 1.00 0.60 C ATOM 969 CG ARG A 68 -4.912 1.163 -7.575 1.00 1.00 C ATOM 970 CD ARG A 68 -4.406 0.542 -8.869 1.00 1.21 C ATOM 971 NE ARG A 68 -5.292 -0.519 -9.338 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.876 -1.723 -9.728 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.581 -2.003 -9.777 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.759 -2.643 -10.092 1.00 3.39 N ATOM 0 H ARG A 68 -2.547 3.897 -6.003 1.00 0.38 H new ATOM 0 HA ARG A 68 -3.060 1.172 -5.498 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.604 2.939 -6.427 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.703 2.889 -7.930 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.981 0.391 -6.809 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.920 1.548 -7.731 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.323 1.313 -9.635 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -3.405 0.139 -8.713 1.00 1.21 H new ATOM 0 HE ARG A 68 -6.293 -0.326 -9.369 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.896 -1.294 -9.515 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -3.270 -2.927 -10.077 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -6.756 -2.429 -10.073 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -5.441 -3.565 -10.391 1.00 3.39 H new ATOM 988 N GLU A 69 -1.058 1.837 -8.014 1.00 0.38 N ATOM 989 CA GLU A 69 -0.107 1.288 -8.970 1.00 0.37 C ATOM 990 C GLU A 69 0.945 0.418 -8.280 1.00 0.31 C ATOM 991 O GLU A 69 1.067 -0.777 -8.561 1.00 0.34 O ATOM 992 CB GLU A 69 0.582 2.434 -9.730 1.00 0.38 C ATOM 993 CG GLU A 69 1.485 1.959 -10.856 1.00 0.67 C ATOM 994 CD GLU A 69 0.711 1.256 -11.953 1.00 1.20 C ATOM 995 OE1 GLU A 69 0.415 0.052 -11.804 1.00 2.08 O ATOM 996 OE2 GLU A 69 0.383 1.908 -12.963 1.00 1.19 O ATOM 0 H GLU A 69 -1.096 2.856 -8.010 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.657 0.658 -9.669 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.180 3.096 -10.141 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.171 3.023 -9.027 1.00 0.38 H new ATOM 0 HG2 GLU A 69 2.016 2.812 -11.278 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.238 1.282 -10.454 1.00 0.67 H new ATOM 1003 N LEU A 70 1.684 1.020 -7.361 1.00 0.24 N ATOM 1004 CA LEU A 70 2.817 0.358 -6.731 1.00 0.21 C ATOM 1005 C LEU A 70 2.390 -0.790 -5.822 1.00 0.22 C ATOM 1006 O LEU A 70 3.089 -1.795 -5.733 1.00 0.23 O ATOM 1007 CB LEU A 70 3.639 1.367 -5.935 1.00 0.20 C ATOM 1008 CG LEU A 70 4.408 2.391 -6.769 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.120 3.369 -5.858 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.407 1.699 -7.686 1.00 0.24 C ATOM 0 H LEU A 70 1.518 1.972 -7.033 1.00 0.24 H new ATOM 0 HA LEU A 70 3.424 -0.067 -7.531 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.971 1.902 -5.260 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.350 0.822 -5.314 1.00 0.20 H new ATOM 0 HG LEU A 70 3.698 2.937 -7.390 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.666 4.096 -6.460 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.389 3.888 -5.238 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.819 2.829 -5.219 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.943 2.447 -8.270 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.117 1.129 -7.087 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.877 1.025 -8.359 1.00 0.24 H new ATOM 1022 N CYS A 71 1.250 -0.652 -5.158 1.00 0.24 N ATOM 1023 CA CYS A 71 0.802 -1.675 -4.218 1.00 0.25 C ATOM 1024 C CYS A 71 0.584 -3.020 -4.903 1.00 0.24 C ATOM 1025 O CYS A 71 1.101 -4.031 -4.440 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.462 -1.235 -3.491 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.218 0.135 -2.340 1.00 1.10 S ATOM 0 H CYS A 71 0.624 0.148 -5.250 1.00 0.24 H new ATOM 0 HA CYS A 71 1.597 -1.804 -3.483 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.210 -0.945 -4.229 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.867 -2.086 -2.944 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.383 1.262 -2.966 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.156 -3.040 -6.011 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.390 -4.295 -6.726 1.00 0.26 C ATOM 1035 C GLU A 72 0.919 -4.850 -7.280 1.00 0.23 C ATOM 1036 O GLU A 72 1.106 -6.064 -7.347 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.401 -4.116 -7.854 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.692 -4.891 -7.643 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.267 -5.436 -8.937 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.449 -4.656 -9.895 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.537 -6.653 -9.004 1.00 1.68 O ATOM 0 H GLU A 72 -0.596 -2.219 -6.427 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.803 -5.007 -6.011 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.636 -3.056 -7.956 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -0.946 -4.433 -8.792 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.507 -5.717 -6.956 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.428 -4.241 -7.169 1.00 0.87 H new ATOM 1048 N LYS A 73 1.828 -3.959 -7.664 1.00 0.23 N ATOM 1049 CA LYS A 73 3.155 -4.369 -8.104 1.00 0.23 C ATOM 1050 C LYS A 73 3.887 -5.053 -6.964 1.00 0.20 C ATOM 1051 O LYS A 73 4.433 -6.141 -7.131 1.00 0.21 O ATOM 1052 CB LYS A 73 3.982 -3.171 -8.592 1.00 0.27 C ATOM 1053 CG LYS A 73 5.475 -3.463 -8.730 1.00 0.33 C ATOM 1054 CD LYS A 73 5.866 -3.935 -10.127 1.00 0.57 C ATOM 1055 CE LYS A 73 5.176 -5.229 -10.544 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.485 -6.365 -9.645 1.00 1.23 N ATOM 0 H LYS A 73 1.670 -2.951 -7.679 1.00 0.23 H new ATOM 0 HA LYS A 73 3.030 -5.061 -8.937 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.595 -2.844 -9.557 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.847 -2.342 -7.897 1.00 0.27 H new ATOM 0 HG2 LYS A 73 6.039 -2.563 -8.486 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.759 -4.224 -8.003 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.623 -3.154 -10.848 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.946 -4.079 -10.165 1.00 0.57 H new ATOM 0 HE2 LYS A 73 4.098 -5.070 -10.562 1.00 0.60 H new ATOM 0 HE3 LYS A 73 5.478 -5.484 -11.560 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.073 -7.237 -10.033 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 6.516 -6.475 -9.566 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 5.083 -6.182 -8.703 1.00 1.23 H new ATOM 1070 N ALA A 74 3.895 -4.402 -5.811 1.00 0.19 N ATOM 1071 CA ALA A 74 4.537 -4.945 -4.630 1.00 0.17 C ATOM 1072 C ALA A 74 3.904 -6.260 -4.239 1.00 0.16 C ATOM 1073 O ALA A 74 4.595 -7.203 -3.902 1.00 0.16 O ATOM 1074 CB ALA A 74 4.453 -3.965 -3.479 1.00 0.18 C ATOM 0 H ALA A 74 3.460 -3.490 -5.671 1.00 0.19 H new ATOM 0 HA ALA A 74 5.587 -5.118 -4.864 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.940 -4.391 -2.602 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.951 -3.036 -3.755 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.407 -3.762 -3.250 1.00 0.18 H new ATOM 1080 N ILE A 75 2.586 -6.316 -4.288 1.00 0.16 N ATOM 1081 CA ILE A 75 1.867 -7.540 -3.991 1.00 0.16 C ATOM 1082 C ILE A 75 2.261 -8.635 -4.965 1.00 0.17 C ATOM 1083 O ILE A 75 2.511 -9.770 -4.564 1.00 0.18 O ATOM 1084 CB ILE A 75 0.347 -7.320 -4.035 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.076 -6.412 -2.886 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.396 -8.645 -3.973 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.561 -6.168 -2.831 1.00 0.23 C ATOM 0 H ILE A 75 1.990 -5.525 -4.532 1.00 0.16 H new ATOM 0 HA ILE A 75 2.137 -7.847 -2.980 1.00 0.16 H new ATOM 0 HB ILE A 75 0.091 -6.839 -4.979 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.247 -6.856 -1.944 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.438 -5.456 -2.980 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.470 -8.462 -4.006 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.107 -9.264 -4.822 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.144 -9.160 -3.046 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.791 -5.514 -1.990 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.887 -5.696 -3.758 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.081 -7.118 -2.706 1.00 0.23 H new ATOM 1099 N GLU A 76 2.335 -8.282 -6.240 1.00 0.18 N ATOM 1100 CA GLU A 76 2.768 -9.217 -7.266 1.00 0.21 C ATOM 1101 C GLU A 76 4.173 -9.730 -6.939 1.00 0.20 C ATOM 1102 O GLU A 76 4.424 -10.932 -6.939 1.00 0.24 O ATOM 1103 CB GLU A 76 2.763 -8.525 -8.629 1.00 0.24 C ATOM 1104 CG GLU A 76 2.859 -9.479 -9.804 1.00 0.77 C ATOM 1105 CD GLU A 76 1.581 -10.254 -10.025 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.364 -11.271 -9.336 1.00 2.35 O ATOM 1107 OE2 GLU A 76 0.778 -9.844 -10.889 1.00 1.62 O ATOM 0 H GLU A 76 2.100 -7.353 -6.588 1.00 0.18 H new ATOM 0 HA GLU A 76 2.082 -10.063 -7.297 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.849 -7.938 -8.724 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.597 -7.825 -8.673 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.100 -8.916 -10.706 1.00 0.77 H new ATOM 0 HG3 GLU A 76 3.679 -10.177 -9.635 1.00 0.77 H new ATOM 1114 N VAL A 77 5.060 -8.794 -6.626 1.00 0.21 N ATOM 1115 CA VAL A 77 6.447 -9.088 -6.269 1.00 0.22 C ATOM 1116 C VAL A 77 6.530 -9.921 -4.988 1.00 0.21 C ATOM 1117 O VAL A 77 7.288 -10.887 -4.906 1.00 0.24 O ATOM 1118 CB VAL A 77 7.227 -7.762 -6.068 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.557 -7.988 -5.368 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.447 -7.047 -7.394 1.00 0.25 C ATOM 0 H VAL A 77 4.837 -7.799 -6.612 1.00 0.21 H new ATOM 0 HA VAL A 77 6.888 -9.664 -7.083 1.00 0.22 H new ATOM 0 HB VAL A 77 6.614 -7.129 -5.427 1.00 0.22 H new ATOM 0 HG11 VAL A 77 9.071 -7.035 -5.247 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.382 -8.433 -4.388 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.173 -8.659 -5.966 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.996 -6.121 -7.222 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.020 -7.689 -8.063 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.483 -6.818 -7.848 1.00 0.25 H new ATOM 1130 N GLY A 78 5.737 -9.539 -4.002 1.00 0.19 N ATOM 1131 CA GLY A 78 5.778 -10.183 -2.708 1.00 0.21 C ATOM 1132 C GLY A 78 5.195 -11.572 -2.742 1.00 0.21 C ATOM 1133 O GLY A 78 5.809 -12.516 -2.262 1.00 0.27 O ATOM 0 H GLY A 78 5.056 -8.783 -4.077 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.810 -10.233 -2.362 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.229 -9.578 -1.986 1.00 0.21 H new ATOM 1137 N ARG A 79 4.018 -11.699 -3.329 1.00 0.21 N ATOM 1138 CA ARG A 79 3.354 -12.988 -3.431 1.00 0.28 C ATOM 1139 C ARG A 79 4.190 -13.920 -4.307 1.00 0.28 C ATOM 1140 O ARG A 79 4.138 -15.141 -4.169 1.00 0.33 O ATOM 1141 CB ARG A 79 1.944 -12.795 -3.998 1.00 0.39 C ATOM 1142 CG ARG A 79 0.883 -13.660 -3.339 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.507 -13.188 -3.729 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.566 -13.939 -3.056 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.485 -14.673 -3.686 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -2.444 -14.819 -5.007 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.448 -15.256 -2.990 1.00 2.63 N ATOM 0 H ARG A 79 3.501 -10.924 -3.743 1.00 0.21 H new ATOM 0 HA ARG A 79 3.260 -13.443 -2.445 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.661 -11.748 -3.890 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.961 -13.012 -5.066 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.017 -14.700 -3.637 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.996 -13.622 -2.256 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.608 -12.130 -3.488 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.629 -13.283 -4.808 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.605 -13.899 -2.038 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.706 -14.368 -5.547 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -3.151 -15.382 -5.480 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.485 -15.143 -1.977 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.153 -15.818 -3.467 1.00 2.63 H new ATOM 1161 N GLU A 80 4.989 -13.315 -5.184 1.00 0.27 N ATOM 1162 CA GLU A 80 5.952 -14.039 -6.002 1.00 0.32 C ATOM 1163 C GLU A 80 7.113 -14.545 -5.147 1.00 0.31 C ATOM 1164 O GLU A 80 7.428 -15.736 -5.142 1.00 0.37 O ATOM 1165 CB GLU A 80 6.492 -13.118 -7.102 1.00 0.36 C ATOM 1166 CG GLU A 80 7.602 -13.737 -7.931 1.00 0.57 C ATOM 1167 CD GLU A 80 7.944 -12.919 -9.157 1.00 1.18 C ATOM 1168 OE1 GLU A 80 8.763 -11.984 -9.046 1.00 1.96 O ATOM 1169 OE2 GLU A 80 7.388 -13.203 -10.237 1.00 1.22 O ATOM 0 H GLU A 80 4.985 -12.308 -5.345 1.00 0.27 H new ATOM 0 HA GLU A 80 5.449 -14.895 -6.452 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.672 -12.837 -7.763 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.862 -12.200 -6.645 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.493 -13.847 -7.313 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.303 -14.739 -8.240 1.00 0.57 H new ATOM 1176 N ASN A 81 7.725 -13.628 -4.405 1.00 0.29 N ATOM 1177 CA ASN A 81 8.923 -13.924 -3.618 1.00 0.35 C ATOM 1178 C ASN A 81 8.557 -14.519 -2.254 1.00 0.35 C ATOM 1179 O ASN A 81 9.383 -14.585 -1.344 1.00 0.49 O ATOM 1180 CB ASN A 81 9.738 -12.642 -3.443 1.00 0.40 C ATOM 1181 CG ASN A 81 11.214 -12.885 -3.164 1.00 0.55 C ATOM 1182 OD1 ASN A 81 12.023 -12.976 -4.088 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.583 -12.971 -1.895 1.00 1.13 N ATOM 0 H ASN A 81 7.408 -12.661 -4.330 1.00 0.29 H new ATOM 0 HA ASN A 81 9.519 -14.666 -4.149 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.643 -12.037 -4.344 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.314 -12.062 -2.623 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.564 -13.117 -1.658 1.00 1.13 H new ATOM 0 HD22 ASN A 81 10.886 -12.891 -1.155 1.00 1.13 H new ATOM 1190 N ARG A 82 7.298 -14.939 -2.127 1.00 0.32 N ATOM 1191 CA ARG A 82 6.792 -15.582 -0.911 1.00 0.37 C ATOM 1192 C ARG A 82 6.936 -14.668 0.300 1.00 0.32 C ATOM 1193 O ARG A 82 7.333 -15.100 1.382 1.00 0.38 O ATOM 1194 CB ARG A 82 7.501 -16.915 -0.661 1.00 0.47 C ATOM 1195 CG ARG A 82 7.331 -17.915 -1.793 1.00 1.04 C ATOM 1196 CD ARG A 82 5.865 -18.113 -2.142 1.00 1.99 C ATOM 1197 NE ARG A 82 5.678 -19.119 -3.180 1.00 2.83 N ATOM 1198 CZ ARG A 82 4.768 -19.034 -4.148 1.00 3.77 C ATOM 1199 NH1 ARG A 82 4.001 -17.956 -4.259 1.00 4.01 N ATOM 1200 NH2 ARG A 82 4.633 -20.022 -5.018 1.00 4.67 N ATOM 0 H ARG A 82 6.599 -14.844 -2.864 1.00 0.32 H new ATOM 0 HA ARG A 82 5.731 -15.779 -1.062 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.564 -16.729 -0.508 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.119 -17.353 0.261 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.872 -17.567 -2.673 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.771 -18.870 -1.506 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.317 -18.410 -1.248 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.441 -17.166 -2.476 1.00 1.99 H new ATOM 0 HE ARG A 82 6.283 -19.940 -3.164 1.00 2.83 H new ATOM 0 HH11 ARG A 82 4.107 -17.185 -3.600 1.00 4.01 H new ATOM 0 HH12 ARG A 82 3.306 -17.899 -5.004 1.00 4.01 H new ATOM 0 HH21 ARG A 82 5.226 -20.849 -4.947 1.00 4.67 H new ATOM 0 HH22 ARG A 82 3.936 -19.957 -5.760 1.00 4.67 H new ATOM 1214 N GLU A 83 6.608 -13.404 0.098 1.00 0.27 N ATOM 1215 CA GLU A 83 6.678 -12.408 1.152 1.00 0.27 C ATOM 1216 C GLU A 83 5.415 -12.459 2.011 1.00 0.25 C ATOM 1217 O GLU A 83 4.423 -13.091 1.637 1.00 0.25 O ATOM 1218 CB GLU A 83 6.861 -11.016 0.529 1.00 0.28 C ATOM 1219 CG GLU A 83 7.080 -9.896 1.536 1.00 0.43 C ATOM 1220 CD GLU A 83 8.309 -10.104 2.393 1.00 0.94 C ATOM 1221 OE1 GLU A 83 8.266 -10.956 3.300 1.00 1.60 O ATOM 1222 OE2 GLU A 83 9.327 -9.417 2.163 1.00 1.15 O ATOM 0 H GLU A 83 6.286 -13.040 -0.799 1.00 0.27 H new ATOM 0 HA GLU A 83 7.532 -12.619 1.796 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.711 -11.046 -0.152 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.981 -10.782 -0.070 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.171 -8.949 1.004 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.204 -9.817 2.180 1.00 0.43 H new ATOM 1229 N ASP A 84 5.479 -11.803 3.163 1.00 0.26 N ATOM 1230 CA ASP A 84 4.382 -11.751 4.124 1.00 0.26 C ATOM 1231 C ASP A 84 3.061 -11.351 3.453 1.00 0.25 C ATOM 1232 O ASP A 84 2.897 -10.212 3.014 1.00 0.26 O ATOM 1233 CB ASP A 84 4.735 -10.749 5.223 1.00 0.29 C ATOM 1234 CG ASP A 84 3.857 -10.882 6.446 1.00 0.44 C ATOM 1235 OD1 ASP A 84 2.714 -10.374 6.426 1.00 0.68 O ATOM 1236 OD2 ASP A 84 4.293 -11.499 7.427 1.00 0.82 O ATOM 0 H ASP A 84 6.305 -11.285 3.461 1.00 0.26 H new ATOM 0 HA ASP A 84 4.244 -12.745 4.549 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.776 -10.888 5.513 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.647 -9.737 4.827 1.00 0.29 H new ATOM 1241 N TYR A 85 2.117 -12.294 3.376 1.00 0.26 N ATOM 1242 CA TYR A 85 0.827 -12.031 2.730 1.00 0.26 C ATOM 1243 C TYR A 85 -0.046 -11.147 3.609 1.00 0.27 C ATOM 1244 O TYR A 85 -0.982 -10.507 3.134 1.00 0.26 O ATOM 1245 CB TYR A 85 0.082 -13.329 2.407 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.286 -14.143 3.627 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.347 -13.771 4.451 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.431 -15.280 3.958 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.674 -14.511 5.567 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.110 -16.027 5.069 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.942 -15.639 5.872 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.262 -16.383 6.984 1.00 0.44 O ATOM 0 H TYR A 85 2.220 -13.238 3.749 1.00 0.26 H new ATOM 0 HA TYR A 85 1.036 -11.513 1.794 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.827 -13.087 1.856 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.702 -13.938 1.749 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.922 -12.889 4.211 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.257 -15.587 3.333 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.497 -14.210 6.198 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.679 -16.912 5.311 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.650 -17.145 7.055 1.00 0.44 H new ATOM 1262 N ARG A 86 0.255 -11.134 4.896 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.456 -10.287 5.835 1.00 0.33 C ATOM 1264 C ARG A 86 -0.162 -8.836 5.495 1.00 0.32 C ATOM 1265 O ARG A 86 -1.053 -7.989 5.481 1.00 0.32 O ATOM 1266 CB ARG A 86 -0.024 -10.610 7.248 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.225 -12.063 7.605 1.00 0.44 C ATOM 1268 CD ARG A 86 0.294 -12.339 8.986 1.00 0.55 C ATOM 1269 NE ARG A 86 1.736 -12.115 9.070 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.464 -12.347 10.156 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.884 -12.781 11.267 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.772 -12.134 10.127 1.00 3.04 N ATOM 0 H ARG A 86 0.990 -11.703 5.315 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.530 -10.462 5.765 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.029 -10.354 7.369 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.585 -9.988 7.945 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.284 -12.314 7.551 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.290 -12.696 6.883 1.00 0.44 H new ATOM 0 HD2 ARG A 86 -0.218 -11.697 9.703 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.068 -13.369 9.262 1.00 0.55 H new ATOM 0 HE ARG A 86 2.213 -11.758 8.242 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.876 -12.937 11.289 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.446 -12.958 12.100 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.214 -11.794 9.273 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.336 -12.311 10.958 1.00 3.04 H new ATOM 1286 N GLN A 87 1.109 -8.590 5.200 1.00 0.33 N ATOM 1287 CA GLN A 87 1.578 -7.311 4.689 1.00 0.33 C ATOM 1288 C GLN A 87 0.935 -7.015 3.331 1.00 0.28 C ATOM 1289 O GLN A 87 0.597 -5.871 3.025 1.00 0.28 O ATOM 1290 CB GLN A 87 3.106 -7.361 4.568 1.00 0.39 C ATOM 1291 CG GLN A 87 3.745 -6.113 3.986 1.00 0.49 C ATOM 1292 CD GLN A 87 3.523 -4.876 4.837 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.319 -4.565 5.723 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.441 -4.158 4.574 1.00 1.46 N ATOM 0 H GLN A 87 1.850 -9.282 5.311 1.00 0.33 H new ATOM 0 HA GLN A 87 1.295 -6.511 5.373 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.528 -7.539 5.557 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.378 -8.214 3.946 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.816 -6.280 3.872 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.342 -5.937 2.989 1.00 0.49 H new ATOM 0 HE21 GLN A 87 1.805 -4.448 3.832 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.244 -3.315 5.114 1.00 1.46 H new ATOM 1303 N ILE A 88 0.770 -8.061 2.528 1.00 0.25 N ATOM 1304 CA ILE A 88 0.069 -7.963 1.250 1.00 0.22 C ATOM 1305 C ILE A 88 -1.372 -7.504 1.444 1.00 0.20 C ATOM 1306 O ILE A 88 -1.876 -6.679 0.685 1.00 0.20 O ATOM 1307 CB ILE A 88 0.109 -9.311 0.495 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.416 -9.422 -0.272 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.073 -9.474 -0.441 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.600 -10.731 -0.993 1.00 0.23 C ATOM 0 H ILE A 88 1.116 -8.996 2.742 1.00 0.25 H new ATOM 0 HA ILE A 88 0.584 -7.215 0.648 1.00 0.22 H new ATOM 0 HB ILE A 88 0.045 -10.113 1.230 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.468 -8.610 -0.997 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.245 -9.283 0.422 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.004 -10.435 -0.950 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.999 -9.433 0.132 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.067 -8.671 -1.178 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.557 -10.728 -1.515 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.582 -11.549 -0.273 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.794 -10.865 -1.714 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.025 -8.028 2.468 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.373 -7.601 2.801 1.00 0.21 C ATOM 1324 C ALA A 89 -3.387 -6.118 3.153 1.00 0.22 C ATOM 1325 O ALA A 89 -4.318 -5.395 2.807 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.922 -8.430 3.946 1.00 0.24 C ATOM 0 H ALA A 89 -1.644 -8.748 3.082 1.00 0.21 H new ATOM 0 HA ALA A 89 -4.013 -7.753 1.932 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.933 -8.098 4.184 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.944 -9.481 3.657 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.285 -8.308 4.822 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.340 -5.661 3.821 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.220 -4.249 4.157 1.00 0.27 C ATOM 1334 C LYS A 90 -2.044 -3.431 2.880 1.00 0.24 C ATOM 1335 O LYS A 90 -2.497 -2.291 2.790 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.042 -4.015 5.106 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.992 -4.989 6.276 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.272 -4.978 7.101 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.504 -3.630 7.765 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.664 -3.661 8.695 1.00 1.26 N ATOM 0 H LYS A 90 -1.565 -6.242 4.140 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.131 -3.930 4.664 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.112 -4.091 4.542 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.097 -2.998 5.494 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.816 -5.996 5.898 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.148 -4.737 6.918 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.120 -5.218 6.460 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.219 -5.755 7.864 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -1.608 -3.336 8.312 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -2.673 -2.873 6.999 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.788 -2.723 9.127 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.524 -3.916 8.169 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.492 -4.365 9.441 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.395 -4.038 1.891 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.242 -3.425 0.578 1.00 0.22 C ATOM 1356 C ALA A 91 -2.587 -3.358 -0.130 1.00 0.19 C ATOM 1357 O ALA A 91 -2.934 -2.336 -0.715 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.230 -4.195 -0.261 1.00 0.22 C ATOM 0 H ALA A 91 -0.965 -4.959 1.976 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.868 -2.410 0.710 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.131 -3.721 -1.237 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.737 -4.194 0.243 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.571 -5.222 -0.390 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.344 -4.448 -0.061 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.694 -4.481 -0.613 1.00 0.16 C ATOM 1366 C TYR A 92 -5.569 -3.435 0.042 1.00 0.16 C ATOM 1367 O TYR A 92 -6.330 -2.738 -0.629 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.335 -5.850 -0.420 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.897 -6.889 -1.414 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.183 -6.756 -2.767 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.206 -8.007 -0.998 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.786 -7.718 -3.675 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.807 -8.971 -1.894 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.097 -8.826 -3.231 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.705 -9.797 -4.122 1.00 0.24 O ATOM 0 H TYR A 92 -3.045 -5.322 0.372 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.610 -4.271 -1.679 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.105 -6.206 0.584 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.418 -5.742 -0.480 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.724 -5.888 -3.114 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.974 -8.128 0.050 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.014 -7.603 -4.724 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.267 -9.840 -1.549 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.230 -10.508 -3.643 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.454 -3.334 1.356 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.216 -2.361 2.107 1.00 0.21 C ATOM 1387 C ALA A 93 -5.859 -0.956 1.664 1.00 0.23 C ATOM 1388 O ALA A 93 -6.721 -0.093 1.574 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.977 -2.523 3.597 1.00 0.25 C ATOM 0 H ALA A 93 -4.838 -3.917 1.922 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.275 -2.531 1.911 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.560 -1.781 4.142 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.281 -3.523 3.908 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.918 -2.382 3.813 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.584 -0.741 1.371 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.123 0.552 0.900 1.00 0.27 C ATOM 1397 C ARG A 94 -4.607 0.799 -0.525 1.00 0.24 C ATOM 1398 O ARG A 94 -4.960 1.921 -0.879 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.597 0.635 0.967 1.00 0.34 C ATOM 1400 CG ARG A 94 -2.058 2.032 0.707 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.543 2.086 0.834 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.078 1.624 2.143 1.00 0.72 N ATOM 1403 CZ ARG A 94 -0.018 2.388 3.234 1.00 0.69 C ATOM 1404 NH1 ARG A 94 -0.460 3.642 3.208 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.476 1.889 4.360 1.00 0.88 N ATOM 0 H ARG A 94 -3.852 -1.447 1.452 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.538 1.324 1.548 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.265 0.302 1.950 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.170 -0.053 0.237 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.351 2.354 -0.292 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.507 2.732 1.412 1.00 0.77 H new ATOM 0 HD2 ARG A 94 -0.093 1.472 0.054 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.203 3.109 0.670 1.00 0.53 H new ATOM 0 HE ARG A 94 0.220 0.652 2.226 1.00 0.72 H new ATOM 0 HH11 ARG A 94 -0.850 4.028 2.348 1.00 1.50 H new ATOM 0 HH12 ARG A 94 -0.410 4.218 4.048 1.00 1.50 H new ATOM 0 HH21 ARG A 94 0.808 0.925 4.388 1.00 0.88 H new ATOM 0 HH22 ARG A 94 0.524 2.470 5.197 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.627 -0.254 -1.338 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.175 -0.171 -2.689 1.00 0.21 C ATOM 1421 C ILE A 95 -6.634 0.247 -2.632 1.00 0.20 C ATOM 1422 O ILE A 95 -7.037 1.231 -3.256 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.060 -1.515 -3.443 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.596 -1.863 -3.677 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.804 -1.457 -4.769 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.384 -3.166 -4.411 1.00 0.22 C ATOM 0 H ILE A 95 -4.270 -1.175 -1.085 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.591 0.573 -3.231 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.515 -2.292 -2.829 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.128 -1.058 -4.244 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.087 -1.913 -2.715 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.709 -2.414 -5.282 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.858 -1.246 -4.586 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.379 -0.669 -5.390 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.316 -3.342 -4.538 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.821 -3.983 -3.836 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.862 -3.115 -5.389 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.414 -0.497 -1.861 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.807 -0.171 -1.683 1.00 0.18 C ATOM 1440 C GLY A 96 -8.983 1.187 -1.042 1.00 0.20 C ATOM 1441 O GLY A 96 -9.901 1.924 -1.381 1.00 0.23 O ATOM 0 H GLY A 96 -7.101 -1.325 -1.354 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.311 -0.186 -2.649 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.283 -0.931 -1.063 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.083 1.525 -0.126 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.147 2.799 0.574 1.00 0.25 C ATOM 1447 C ASN A 97 -7.844 3.947 -0.382 1.00 0.25 C ATOM 1448 O ASN A 97 -8.371 5.045 -0.232 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.174 2.818 1.757 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.538 3.848 2.813 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -6.666 4.410 3.474 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.830 4.076 3.008 1.00 1.64 N ATOM 0 H ASN A 97 -7.300 0.932 0.149 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.158 2.926 0.961 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.150 1.829 2.216 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.169 3.023 1.389 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -9.129 4.736 3.726 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -9.525 3.591 2.440 1.00 1.64 H new ATOM 1459 N SER A 98 -7.003 3.679 -1.374 1.00 0.26 N ATOM 1460 CA SER A 98 -6.700 4.656 -2.410 1.00 0.29 C ATOM 1461 C SER A 98 -7.948 4.929 -3.240 1.00 0.29 C ATOM 1462 O SER A 98 -8.282 6.081 -3.522 1.00 0.32 O ATOM 1463 CB SER A 98 -5.569 4.143 -3.302 1.00 0.32 C ATOM 1464 OG SER A 98 -4.405 3.873 -2.539 1.00 0.94 O ATOM 0 H SER A 98 -6.517 2.789 -1.482 1.00 0.26 H new ATOM 0 HA SER A 98 -6.377 5.586 -1.942 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.889 3.237 -3.817 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.342 4.883 -4.070 1.00 0.32 H new ATOM 0 HG SER A 98 -4.503 3.009 -2.088 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.640 3.858 -3.613 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.916 3.966 -4.305 1.00 0.29 C ATOM 1472 C TYR A 99 -10.934 4.682 -3.421 1.00 0.28 C ATOM 1473 O TYR A 99 -11.705 5.521 -3.882 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.446 2.579 -4.661 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.747 1.910 -5.822 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.888 2.408 -7.104 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.984 0.763 -5.646 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.297 1.797 -8.181 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.374 0.142 -6.723 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.536 0.662 -7.991 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.954 0.036 -9.068 1.00 0.43 O ATOM 0 H TYR A 99 -8.335 2.899 -3.445 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.763 4.538 -5.220 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.359 1.937 -3.785 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.508 2.660 -4.893 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.477 3.299 -7.261 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.865 0.350 -4.655 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.427 2.203 -9.173 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.775 -0.744 -6.572 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.753 0.698 -9.762 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.913 4.327 -2.147 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.771 4.922 -1.131 1.00 0.27 C ATOM 1493 C PHE A 100 -11.588 6.440 -1.093 1.00 0.32 C ATOM 1494 O PHE A 100 -12.555 7.193 -1.026 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.418 4.287 0.214 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.248 4.719 1.389 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.498 4.167 1.604 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.765 5.647 2.296 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.252 4.535 2.698 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.512 6.016 3.396 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.759 5.460 3.598 1.00 0.37 C ATOM 0 H PHE A 100 -10.290 3.606 -1.782 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.819 4.734 -1.362 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.502 3.205 0.115 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.373 4.507 0.433 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.888 3.440 0.907 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.791 6.088 2.141 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.229 4.100 2.852 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.122 6.738 4.097 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.347 5.747 4.457 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.339 6.877 -1.143 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.016 8.294 -1.200 1.00 0.38 C ATOM 1513 C LYS A 101 -10.482 8.924 -2.508 1.00 0.41 C ATOM 1514 O LYS A 101 -10.946 10.062 -2.524 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.510 8.486 -1.081 1.00 0.44 C ATOM 1516 CG LYS A 101 -7.905 7.997 0.223 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.108 8.987 1.351 1.00 0.68 C ATOM 1518 CE LYS A 101 -9.364 8.683 2.137 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.548 9.610 3.288 1.00 0.74 N ATOM 0 H LYS A 101 -9.525 6.263 -1.145 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.532 8.780 -0.372 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.026 7.966 -1.907 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.283 9.546 -1.195 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.354 7.041 0.495 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -6.838 7.820 0.084 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -7.246 8.962 2.017 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.168 9.996 0.944 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -10.229 8.751 1.477 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.322 7.657 2.503 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -10.421 9.363 3.796 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -8.737 9.528 3.933 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.615 10.587 2.939 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.360 8.180 -3.601 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.557 8.745 -4.928 1.00 0.40 C ATOM 1535 C GLU A 102 -12.012 8.617 -5.394 1.00 0.39 C ATOM 1536 O GLU A 102 -12.346 9.011 -6.512 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.605 8.082 -5.919 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.192 6.905 -6.676 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.246 6.391 -7.740 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.993 7.130 -8.719 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.747 5.259 -7.608 1.00 0.45 O ATOM 0 H GLU A 102 -10.126 7.187 -3.594 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.334 9.811 -4.879 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.274 8.830 -6.639 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.720 7.744 -5.380 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.423 6.102 -5.976 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.132 7.204 -7.140 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.857 8.060 -4.526 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.294 7.906 -4.788 1.00 0.35 C ATOM 1550 C GLU A 103 -14.558 6.761 -5.780 1.00 0.35 C ATOM 1551 O GLU A 103 -15.532 6.776 -6.533 1.00 0.45 O ATOM 1552 CB GLU A 103 -14.906 9.225 -5.289 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.424 9.275 -5.222 1.00 1.11 C ATOM 1554 CD GLU A 103 -16.985 10.553 -5.806 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -16.860 11.613 -5.159 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.539 10.507 -6.923 1.00 1.47 O ATOM 0 H GLU A 103 -12.566 7.701 -3.617 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.779 7.647 -3.847 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.501 10.047 -4.699 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.594 9.388 -6.321 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.837 8.421 -5.759 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.742 9.183 -4.184 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.678 5.771 -5.772 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.879 4.546 -6.534 1.00 0.31 C ATOM 1565 C LYS A 104 -14.185 3.400 -5.579 1.00 0.28 C ATOM 1566 O LYS A 104 -13.493 2.384 -5.551 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.643 4.235 -7.372 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.552 5.075 -8.634 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.455 4.606 -9.576 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.752 3.240 -10.168 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.746 2.862 -11.195 1.00 1.89 N ATOM 0 H LYS A 104 -12.808 5.793 -5.240 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.722 4.676 -7.212 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.751 4.400 -6.768 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.653 3.180 -7.645 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.509 5.045 -9.155 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.370 6.114 -8.361 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -11.336 5.331 -10.381 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.508 4.569 -9.038 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.762 2.493 -9.375 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.746 3.244 -10.615 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.750 1.830 -11.321 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -10.982 3.322 -12.098 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -9.802 3.170 -10.886 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.238 3.591 -4.800 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.610 2.667 -3.727 1.00 0.25 C ATOM 1587 C TYR A 105 -15.895 1.263 -4.241 1.00 0.26 C ATOM 1588 O TYR A 105 -15.648 0.284 -3.538 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.824 3.197 -2.971 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.603 4.579 -2.419 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.699 4.805 -1.393 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.319 5.655 -2.917 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.513 6.071 -0.878 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.142 6.921 -2.409 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.153 7.122 -1.415 1.00 0.38 C ATOM 1596 OH TYR A 105 -16.059 8.387 -0.877 1.00 0.46 O ATOM 0 H TYR A 105 -15.864 4.392 -4.890 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.756 2.601 -3.053 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.686 3.210 -3.638 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.064 2.517 -2.153 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.132 3.978 -0.991 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -18.027 5.498 -3.717 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.849 6.218 -0.039 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.745 7.745 -2.761 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.595 9.010 -1.411 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.405 1.165 -5.460 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.687 -0.131 -6.064 1.00 0.35 C ATOM 1608 C LYS A 106 -15.410 -0.958 -6.135 1.00 0.31 C ATOM 1609 O LYS A 106 -15.388 -2.140 -5.783 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.272 0.052 -7.464 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.474 0.979 -7.499 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.940 1.239 -8.919 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.090 2.232 -8.948 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.538 2.528 -10.333 1.00 1.57 N ATOM 0 H LYS A 106 -16.632 1.965 -6.050 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.417 -0.655 -5.447 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.499 0.446 -8.124 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.562 -0.922 -7.859 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.289 0.540 -6.923 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.219 1.925 -7.021 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.110 1.623 -9.512 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.254 0.302 -9.379 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.927 1.834 -8.374 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -19.782 3.157 -8.462 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.323 3.209 -10.306 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -19.748 2.932 -10.875 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -20.857 1.650 -10.790 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.336 -0.311 -6.559 1.00 0.30 N ATOM 1629 CA ASP A 107 -13.038 -0.957 -6.643 1.00 0.29 C ATOM 1630 C ASP A 107 -12.385 -1.013 -5.269 1.00 0.23 C ATOM 1631 O ASP A 107 -11.590 -1.909 -4.983 1.00 0.21 O ATOM 1632 CB ASP A 107 -12.137 -0.217 -7.632 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.589 -0.383 -9.067 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.206 -1.385 -9.705 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -13.339 0.486 -9.565 1.00 0.64 O ATOM 0 H ASP A 107 -14.339 0.666 -6.851 1.00 0.30 H new ATOM 0 HA ASP A 107 -13.180 -1.977 -7.001 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -12.121 0.843 -7.380 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -11.115 -0.584 -7.532 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.740 -0.053 -4.418 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.248 -0.012 -3.046 1.00 0.18 C ATOM 1642 C ALA A 108 -12.619 -1.291 -2.315 1.00 0.16 C ATOM 1643 O ALA A 108 -11.753 -2.019 -1.838 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.809 1.201 -2.303 1.00 0.18 C ATOM 0 H ALA A 108 -13.371 0.711 -4.658 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.162 0.076 -3.076 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.428 1.210 -1.282 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.502 2.114 -2.813 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.897 1.145 -2.284 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.915 -1.566 -2.268 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.446 -2.735 -1.579 1.00 0.18 C ATOM 1652 C ILE A 109 -13.911 -4.027 -2.183 1.00 0.19 C ATOM 1653 O ILE A 109 -13.683 -5.011 -1.473 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.986 -2.724 -1.630 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.500 -1.496 -0.895 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.568 -3.981 -1.012 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.771 -0.927 -1.473 1.00 0.51 C ATOM 0 H ILE A 109 -14.629 -0.985 -2.707 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.119 -2.690 -0.540 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.300 -2.692 -2.673 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.671 -1.755 0.150 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.729 -0.726 -0.910 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.656 -3.942 -1.064 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.210 -4.854 -1.558 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.257 -4.052 0.030 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.074 -0.054 -0.895 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.601 -0.635 -2.509 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.558 -1.680 -1.433 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.696 -4.011 -3.492 1.00 0.20 N ATOM 1670 CA HIS A 110 -13.148 -5.167 -4.184 1.00 0.23 C ATOM 1671 C HIS A 110 -11.786 -5.540 -3.608 1.00 0.20 C ATOM 1672 O HIS A 110 -11.582 -6.661 -3.151 1.00 0.23 O ATOM 1673 CB HIS A 110 -13.014 -4.882 -5.681 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.574 -6.072 -6.481 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -13.451 -6.995 -6.997 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -11.338 -6.485 -6.850 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.776 -7.923 -7.649 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -11.491 -7.637 -7.580 1.00 0.40 N ATOM 0 H HIS A 110 -13.893 -3.211 -4.094 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.833 -6.003 -4.042 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.973 -4.532 -6.063 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -12.299 -4.072 -5.826 1.00 0.27 H new ATOM 0 HD2 HIS A 110 -10.404 -5.997 -6.613 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -13.205 -8.775 -8.155 1.00 0.44 H new ATOM 0 HE2 HIS A 110 -10.737 -8.181 -7.999 1.00 0.40 H new ATOM 1687 N PHE A 111 -10.862 -4.588 -3.620 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.511 -4.835 -3.133 1.00 0.17 C ATOM 1689 C PHE A 111 -9.472 -4.854 -1.611 1.00 0.16 C ATOM 1690 O PHE A 111 -8.547 -5.408 -1.018 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.533 -3.810 -3.700 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.279 -4.006 -5.168 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.304 -4.890 -5.604 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -9.017 -3.311 -6.111 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -7.071 -5.075 -6.952 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.789 -3.492 -7.459 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.814 -4.375 -7.881 1.00 0.32 C ATOM 0 H PHE A 111 -11.023 -3.640 -3.961 1.00 0.18 H new ATOM 0 HA PHE A 111 -9.201 -5.820 -3.482 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.926 -2.807 -3.534 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.589 -3.876 -3.159 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.720 -5.440 -4.881 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.780 -2.619 -5.787 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.309 -5.766 -7.279 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.372 -2.944 -8.184 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.633 -4.517 -8.936 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.474 -4.259 -0.975 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.656 -4.448 0.455 1.00 0.17 C ATOM 1709 C TYR A 112 -10.861 -5.927 0.736 1.00 0.20 C ATOM 1710 O TYR A 112 -10.153 -6.514 1.545 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.846 -3.646 0.997 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.571 -2.175 1.244 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.299 -1.742 1.598 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.569 -1.216 1.097 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.032 -0.406 1.804 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.306 0.123 1.295 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.099 0.519 1.740 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.769 1.857 1.839 1.00 0.32 O ATOM 0 H TYR A 112 -11.162 -3.651 -1.420 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.762 -4.083 0.962 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.673 -3.732 0.292 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.175 -4.100 1.932 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.506 -2.465 1.714 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.567 -1.526 0.823 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.026 -0.072 2.011 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.072 0.857 1.092 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.583 2.386 1.974 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.803 -6.537 0.025 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.079 -7.959 0.178 1.00 0.28 C ATOM 1730 C ASN A 113 -10.913 -8.803 -0.317 1.00 0.27 C ATOM 1731 O ASN A 113 -10.795 -9.973 0.031 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.368 -8.343 -0.547 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.593 -8.121 0.318 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -15.030 -9.018 1.037 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -15.153 -6.926 0.260 1.00 1.23 N ATOM 0 H ASN A 113 -12.389 -6.067 -0.665 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.211 -8.159 1.241 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -13.458 -7.756 -1.461 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.319 -9.391 -0.844 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.978 -6.721 0.824 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.761 -6.208 -0.349 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.053 -8.202 -1.128 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.803 -8.835 -1.536 1.00 0.24 C ATOM 1744 C LYS A 114 -7.840 -8.895 -0.354 1.00 0.21 C ATOM 1745 O LYS A 114 -6.997 -9.784 -0.264 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.158 -8.046 -2.665 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.924 -8.070 -3.971 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.493 -9.239 -4.808 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.947 -9.110 -6.245 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.581 -10.305 -7.050 1.00 1.25 N ATOM 0 H LYS A 114 -10.198 -7.271 -1.519 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.023 -9.845 -1.881 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.042 -7.010 -2.346 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.157 -8.440 -2.839 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.994 -8.132 -3.772 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -8.755 -7.142 -4.517 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.407 -9.324 -4.778 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.897 -10.157 -4.382 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -10.028 -8.970 -6.273 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.499 -8.221 -6.689 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.909 -10.178 -8.029 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -7.548 -10.424 -7.044 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -9.029 -11.150 -6.641 1.00 1.25 H new ATOM 1764 N SER A 115 -7.961 -7.925 0.539 1.00 0.20 N ATOM 1765 CA SER A 115 -7.192 -7.921 1.770 1.00 0.21 C ATOM 1766 C SER A 115 -7.770 -8.949 2.726 1.00 0.25 C ATOM 1767 O SER A 115 -7.036 -9.739 3.318 1.00 0.28 O ATOM 1768 CB SER A 115 -7.216 -6.537 2.412 1.00 0.23 C ATOM 1769 OG SER A 115 -6.497 -6.522 3.627 1.00 1.04 O ATOM 0 H SER A 115 -8.588 -7.128 0.432 1.00 0.20 H new ATOM 0 HA SER A 115 -6.156 -8.175 1.544 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.788 -5.808 1.725 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.248 -6.236 2.594 1.00 0.23 H new ATOM 0 HG SER A 115 -5.823 -5.811 3.600 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.101 -8.945 2.856 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.801 -9.975 3.619 1.00 0.31 C ATOM 1777 C LEU A 116 -9.453 -11.350 3.053 1.00 0.33 C ATOM 1778 O LEU A 116 -9.453 -12.356 3.764 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.333 -9.778 3.576 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.934 -8.665 4.460 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.388 -8.729 5.873 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.702 -7.288 3.873 1.00 0.35 C ATOM 0 H LEU A 116 -9.711 -8.240 2.442 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.480 -9.899 4.658 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.617 -9.577 2.543 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.801 -10.721 3.858 1.00 0.34 H new ATOM 0 HG LEU A 116 -13.010 -8.838 4.494 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.831 -7.932 6.471 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.635 -9.694 6.315 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.305 -8.607 5.850 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.141 -6.535 4.527 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.631 -7.108 3.780 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.167 -7.229 2.889 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.157 -11.367 1.758 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.765 -12.573 1.051 1.00 0.33 C ATOM 1796 C ALA A 117 -7.447 -13.132 1.593 1.00 0.33 C ATOM 1797 O ALA A 117 -7.364 -14.315 1.932 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.661 -12.276 -0.443 1.00 0.32 C ATOM 0 H ALA A 117 -9.184 -10.536 1.168 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.527 -13.336 1.210 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.367 -13.181 -0.974 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.627 -11.935 -0.814 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.914 -11.499 -0.608 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.430 -12.282 1.699 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.108 -12.723 2.145 1.00 0.30 C ATOM 1806 C GLU A 118 -5.004 -12.766 3.667 1.00 0.32 C ATOM 1807 O GLU A 118 -4.583 -13.772 4.239 1.00 0.36 O ATOM 1808 CB GLU A 118 -4.018 -11.808 1.586 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.805 -11.946 0.086 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.536 -13.376 -0.341 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -4.505 -14.132 -0.564 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -2.353 -13.753 -0.468 1.00 0.53 O ATOM 0 H GLU A 118 -6.493 -11.287 1.484 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.966 -13.735 1.766 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.275 -10.773 1.813 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.080 -12.023 2.097 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.687 -11.575 -0.437 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -2.967 -11.318 -0.217 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.395 -11.683 4.319 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.274 -11.572 5.765 1.00 0.36 C ATOM 1821 C HIS A 119 -6.484 -10.821 6.326 1.00 0.37 C ATOM 1822 O HIS A 119 -6.526 -9.590 6.329 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.933 -10.893 6.116 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.756 -10.459 7.546 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.861 -9.479 7.929 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.316 -10.910 8.685 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.876 -9.361 9.244 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.752 -10.219 9.725 1.00 0.50 N ATOM 0 H HIS A 119 -5.801 -10.864 3.867 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.268 -12.559 6.227 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -3.126 -11.581 5.866 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.816 -10.018 5.477 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -2.279 -8.932 7.295 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -5.072 -11.677 8.764 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.274 -8.678 9.825 1.00 0.48 H new ATOM 1837 N ARG A 120 -7.456 -11.591 6.809 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.729 -11.052 7.281 1.00 0.43 C ATOM 1839 C ARG A 120 -8.528 -10.183 8.517 1.00 0.46 C ATOM 1840 O ARG A 120 -8.275 -10.692 9.608 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.697 -12.200 7.596 1.00 0.49 C ATOM 1842 CG ARG A 120 -11.132 -11.753 7.822 1.00 0.55 C ATOM 1843 CD ARG A 120 -12.002 -12.883 8.345 1.00 0.62 C ATOM 1844 NE ARG A 120 -13.417 -12.512 8.358 1.00 1.38 N ATOM 1845 CZ ARG A 120 -14.371 -13.194 8.994 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -14.064 -14.266 9.712 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -15.634 -12.792 8.919 1.00 2.87 N ATOM 0 H ARG A 120 -7.384 -12.606 6.884 1.00 0.41 H new ATOM 0 HA ARG A 120 -9.153 -10.430 6.493 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.675 -12.916 6.774 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -9.346 -12.724 8.485 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -11.147 -10.925 8.531 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.547 -11.379 6.886 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.863 -13.767 7.723 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.686 -13.149 9.354 1.00 0.62 H new ATOM 0 HE ARG A 120 -13.693 -11.674 7.846 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.094 -14.573 9.780 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.798 -14.783 10.196 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -15.874 -11.963 8.376 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -16.365 -13.312 9.405 1.00 2.87 H new ATOM 1861 N THR A 121 -8.631 -8.874 8.340 1.00 0.45 N ATOM 1862 CA THR A 121 -8.448 -7.942 9.441 1.00 0.50 C ATOM 1863 C THR A 121 -9.607 -6.963 9.552 1.00 0.49 C ATOM 1864 O THR A 121 -10.121 -6.450 8.553 1.00 0.47 O ATOM 1865 CB THR A 121 -7.130 -7.162 9.309 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.926 -6.745 7.952 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.959 -8.000 9.770 1.00 0.62 C ATOM 0 H THR A 121 -8.840 -8.434 7.444 1.00 0.45 H new ATOM 0 HA THR A 121 -8.412 -8.544 10.349 1.00 0.50 H new ATOM 0 HB THR A 121 -7.198 -6.279 9.945 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.084 -6.249 7.885 1.00 0.52 H new ATOM 0 HG21 THR A 121 -5.038 -7.426 9.667 1.00 0.62 H new ATOM 0 HG22 THR A 121 -6.099 -8.277 10.815 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.895 -8.902 9.161 1.00 0.62 H new ATOM 1875 N PRO A 122 -10.031 -6.732 10.804 1.00 0.56 N ATOM 1876 CA PRO A 122 -11.127 -5.824 11.173 1.00 0.56 C ATOM 1877 C PRO A 122 -11.031 -4.439 10.537 1.00 0.51 C ATOM 1878 O PRO A 122 -12.048 -3.818 10.267 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.986 -5.702 12.698 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.666 -6.317 13.016 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.476 -7.376 11.998 1.00 0.69 C ATOM 0 HA PRO A 122 -12.084 -6.216 10.827 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -11.022 -4.660 13.015 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.796 -6.220 13.212 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.866 -5.578 12.970 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.658 -6.733 14.023 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.426 -7.641 11.872 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -10.007 -8.293 12.255 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.813 -3.962 10.314 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.587 -2.635 9.734 1.00 0.48 C ATOM 1891 C ASP A 123 -10.107 -2.559 8.312 1.00 0.40 C ATOM 1892 O ASP A 123 -10.841 -1.636 7.960 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.100 -2.298 9.748 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.477 -2.453 11.119 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.147 -3.597 11.493 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.306 -1.434 11.822 1.00 2.06 O ATOM 0 H ASP A 123 -8.958 -4.475 10.526 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.132 -1.912 10.342 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.579 -2.944 9.042 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.961 -1.273 9.404 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.739 -3.528 7.490 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.170 -3.519 6.103 1.00 0.29 C ATOM 1903 C VAL A 124 -11.636 -3.898 6.019 1.00 0.28 C ATOM 1904 O VAL A 124 -12.341 -3.482 5.110 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.371 -4.483 5.220 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.488 -4.068 3.767 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.917 -4.566 5.649 1.00 0.31 C ATOM 0 H VAL A 124 -9.152 -4.319 7.754 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.000 -2.508 5.734 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.793 -5.481 5.337 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.918 -4.757 3.145 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.535 -4.089 3.466 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.095 -3.059 3.644 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.385 -5.260 4.998 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.460 -3.579 5.579 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.861 -4.919 6.679 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.078 -4.702 6.972 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.482 -5.063 7.089 1.00 0.38 C ATOM 1919 C LEU A 125 -14.294 -3.814 7.428 1.00 0.38 C ATOM 1920 O LEU A 125 -15.343 -3.552 6.838 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.629 -6.143 8.170 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.987 -6.839 8.250 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.825 -8.224 8.850 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.961 -6.027 9.084 1.00 0.54 C ATOM 0 H LEU A 125 -11.478 -5.121 7.683 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.858 -5.466 6.149 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.865 -6.902 8.002 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.420 -5.689 9.138 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.387 -6.927 7.240 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.798 -8.713 8.904 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.155 -8.815 8.225 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.406 -8.139 9.853 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.921 -6.542 9.127 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.566 -5.910 10.093 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.096 -5.045 8.632 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.766 -3.043 8.368 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.321 -1.751 8.747 1.00 0.42 C ATOM 1938 C LYS A 126 -14.382 -0.824 7.542 1.00 0.39 C ATOM 1939 O LYS A 126 -15.405 -0.188 7.271 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.438 -1.139 9.836 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.723 0.317 10.144 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.864 0.807 11.297 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.501 1.994 12.000 1.00 1.37 C ATOM 1944 NZ LYS A 126 -14.769 1.612 12.679 1.00 2.04 N ATOM 0 H LYS A 126 -12.931 -3.300 8.895 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.335 -1.886 9.123 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.559 -1.719 10.751 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.395 -1.234 9.534 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.531 0.924 9.259 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.777 0.440 10.393 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.715 -0.003 12.011 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.879 1.089 10.924 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.804 2.401 12.732 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.699 2.784 11.275 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -14.946 2.259 13.474 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -15.557 1.672 12.003 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -14.692 0.638 13.036 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.274 -0.765 6.826 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.161 0.047 5.628 1.00 0.31 C ATOM 1960 C LYS A 127 -14.103 -0.438 4.543 1.00 0.27 C ATOM 1961 O LYS A 127 -14.723 0.362 3.841 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.734 0.004 5.110 1.00 0.31 C ATOM 1963 CG LYS A 127 -10.978 1.296 5.344 1.00 0.52 C ATOM 1964 CD LYS A 127 -10.815 1.629 6.822 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.368 3.076 6.985 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.792 3.344 8.329 1.00 1.48 N ATOM 0 H LYS A 127 -12.425 -1.280 7.059 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.432 1.070 5.889 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.202 -0.814 5.595 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.748 -0.214 4.042 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -9.993 1.223 4.882 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.503 2.113 4.849 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -11.758 1.470 7.345 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.083 0.961 7.275 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.627 3.313 6.222 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.219 3.737 6.819 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.503 4.341 8.390 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -10.506 3.145 9.059 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -8.963 2.734 8.480 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.194 -1.748 4.407 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.044 -2.350 3.407 1.00 0.26 C ATOM 1982 C CYS A 128 -16.492 -1.965 3.660 1.00 0.29 C ATOM 1983 O CYS A 128 -17.201 -1.552 2.744 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.884 -3.875 3.409 1.00 0.26 C ATOM 1985 SG CYS A 128 -16.063 -4.742 2.351 1.00 0.91 S ATOM 0 H CYS A 128 -13.684 -2.417 4.984 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.747 -1.980 2.425 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.873 -4.124 3.088 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.993 -4.240 4.430 1.00 0.26 H new ATOM 0 HG CYS A 128 -16.144 -5.986 2.720 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.914 -2.088 4.916 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.250 -1.683 5.316 1.00 0.36 C ATOM 1993 C GLN A 129 -18.458 -0.198 5.066 1.00 0.32 C ATOM 1994 O GLN A 129 -19.533 0.224 4.637 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.495 -1.977 6.792 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.656 -3.451 7.104 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.025 -3.694 8.557 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.703 -4.734 9.126 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.705 -2.737 9.171 1.00 1.10 N ATOM 0 H GLN A 129 -16.345 -2.467 5.673 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.957 -2.257 4.716 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.663 -1.581 7.375 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.391 -1.447 7.114 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.426 -3.875 6.460 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.727 -3.973 6.875 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -19.956 -1.886 8.668 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -19.978 -2.851 10.147 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.421 0.586 5.333 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.495 2.031 5.185 1.00 0.30 C ATOM 2010 C GLN A 130 -17.782 2.410 3.738 1.00 0.26 C ATOM 2011 O GLN A 130 -18.711 3.156 3.461 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.192 2.695 5.637 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.316 4.199 5.812 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.292 4.589 6.905 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.479 3.861 7.883 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.913 5.747 6.751 1.00 1.65 N ATOM 0 H GLN A 130 -16.516 0.242 5.654 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.310 2.386 5.816 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -15.874 2.251 6.580 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.412 2.484 4.906 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.335 4.615 6.043 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.637 4.644 4.870 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -17.729 6.319 5.927 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.576 6.068 7.457 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.995 1.872 2.820 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.098 2.247 1.416 1.00 0.21 C ATOM 2027 C ALA A 131 -18.457 1.893 0.820 1.00 0.23 C ATOM 2028 O ALA A 131 -19.015 2.670 0.045 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.985 1.604 0.613 1.00 0.20 C ATOM 0 H ALA A 131 -16.278 1.175 3.020 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.996 3.331 1.365 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.077 1.894 -0.434 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.020 1.935 0.998 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -16.056 0.520 0.696 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.998 0.734 1.182 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.284 0.310 0.637 1.00 0.35 C ATOM 2037 C GLU A 132 -21.431 1.137 1.212 1.00 0.35 C ATOM 2038 O GLU A 132 -22.388 1.447 0.503 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.531 -1.187 0.859 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.231 -1.670 2.259 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.810 -3.039 2.544 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.236 -4.045 2.077 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -21.841 -3.113 3.247 1.00 1.41 O ATOM 0 H GLU A 132 -18.574 0.080 1.840 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.246 0.483 -0.439 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.573 -1.409 0.627 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.920 -1.752 0.155 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.151 -1.700 2.405 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.630 -0.955 2.978 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.332 1.518 2.483 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.358 2.358 3.087 1.00 0.36 C ATOM 2052 C LYS A 133 -22.203 3.796 2.604 1.00 0.37 C ATOM 2053 O LYS A 133 -23.172 4.548 2.536 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.324 2.281 4.618 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.056 2.825 5.260 1.00 0.36 C ATOM 2056 CD LYS A 133 -20.980 2.461 6.735 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.193 2.961 7.507 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.197 2.468 8.908 1.00 1.90 N ATOM 0 H LYS A 133 -20.565 1.263 3.105 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.333 1.986 2.772 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.178 2.830 5.014 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.448 1.240 4.918 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.184 2.428 4.740 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.027 3.909 5.149 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -20.905 1.378 6.838 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.074 2.886 7.167 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.201 4.051 7.505 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.104 2.635 7.004 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.038 2.830 9.401 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.215 1.428 8.910 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.341 2.800 9.395 1.00 1.90 H new ATOM 2072 N ILE A 134 -20.975 4.163 2.258 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.709 5.439 1.612 1.00 0.34 C ATOM 2074 C ILE A 134 -21.343 5.468 0.227 1.00 0.39 C ATOM 2075 O ILE A 134 -22.012 6.431 -0.141 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.196 5.714 1.487 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.600 6.068 2.841 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.927 6.826 0.507 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.121 6.384 2.792 1.00 0.33 C ATOM 0 H ILE A 134 -20.145 3.591 2.416 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.146 6.218 2.237 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.724 4.803 1.119 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.133 6.927 3.249 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -18.762 5.237 3.528 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.853 6.999 0.439 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.313 6.548 -0.474 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.420 7.737 0.846 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.767 6.627 3.794 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.576 5.518 2.415 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.952 7.235 2.132 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.134 4.400 -0.533 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.742 4.270 -1.849 1.00 0.48 C ATOM 2093 C LEU A 135 -23.265 4.281 -1.739 1.00 0.58 C ATOM 2094 O LEU A 135 -23.961 4.777 -2.626 1.00 0.71 O ATOM 2095 CB LEU A 135 -21.267 2.990 -2.532 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.246 3.184 -3.648 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.787 1.836 -4.178 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.821 4.027 -4.774 1.00 1.37 C ATOM 0 H LEU A 135 -20.548 3.612 -0.259 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.434 5.121 -2.456 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.834 2.334 -1.776 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -22.135 2.474 -2.942 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.387 3.713 -3.236 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.058 1.987 -4.974 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.329 1.264 -3.371 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.644 1.288 -4.570 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.072 4.149 -5.556 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.699 3.531 -5.187 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.105 5.006 -4.387 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.770 3.747 -0.632 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.199 3.762 -0.352 1.00 0.72 C ATOM 2112 C LYS A 136 -25.679 5.194 -0.116 1.00 0.77 C ATOM 2113 O LYS A 136 -26.820 5.535 -0.415 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.508 2.887 0.861 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.992 2.736 1.152 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.237 1.849 2.361 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.723 1.658 2.614 1.00 2.54 C ATOM 2118 NZ LYS A 136 -28.984 0.883 3.857 1.00 3.36 N ATOM 0 H LYS A 136 -23.206 3.296 0.089 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.729 3.359 -1.215 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.077 1.899 0.702 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.018 3.312 1.737 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.431 3.718 1.326 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.493 2.312 0.282 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -26.765 0.879 2.205 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.770 2.292 3.241 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.206 2.632 2.687 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -29.172 1.142 1.765 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.010 0.776 3.991 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -28.546 -0.057 3.779 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -28.579 1.387 4.672 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.794 6.030 0.410 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.090 7.445 0.607 1.00 0.82 C ATOM 2134 C GLU A 137 -25.055 8.199 -0.718 1.00 0.87 C ATOM 2135 O GLU A 137 -25.646 9.271 -0.857 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.100 8.069 1.575 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.301 7.604 2.998 1.00 1.02 C ATOM 2138 CD GLU A 137 -25.682 7.927 3.525 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -26.021 9.124 3.628 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -26.442 6.986 3.830 1.00 2.28 O ATOM 0 H GLU A 137 -23.860 5.752 0.710 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.094 7.519 1.026 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.086 7.826 1.258 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.195 9.154 1.535 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.138 6.528 3.051 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -23.553 8.071 3.638 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.351 7.629 -1.686 1.00 0.80 N ATOM 2148 CA GLN A 138 -24.199 8.247 -2.994 1.00 0.89 C ATOM 2149 C GLN A 138 -25.430 7.998 -3.861 1.00 1.04 C ATOM 2150 O GLN A 138 -25.689 8.735 -4.812 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.946 7.712 -3.681 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.678 8.025 -2.910 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.326 9.498 -2.932 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -21.754 10.266 -2.071 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.536 9.901 -3.914 1.00 1.60 N ATOM 0 H GLN A 138 -23.873 6.733 -1.588 1.00 0.80 H new ATOM 0 HA GLN A 138 -24.096 9.323 -2.857 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -23.036 6.632 -3.802 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.874 8.140 -4.681 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.797 7.700 -1.876 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.852 7.452 -3.331 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -20.203 9.232 -4.608 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -20.260 10.881 -3.977 1.00 1.60 H new ATOM 2164 N GLU A 139 -26.182 6.959 -3.524 1.00 1.14 N ATOM 2165 CA GLU A 139 -27.412 6.642 -4.241 1.00 1.35 C ATOM 2166 C GLU A 139 -28.632 7.106 -3.447 1.00 1.86 C ATOM 2167 O GLU A 139 -29.224 6.294 -2.708 1.00 2.30 O ATOM 2168 CB GLU A 139 -27.488 5.139 -4.540 1.00 1.47 C ATOM 2169 CG GLU A 139 -27.113 4.255 -3.361 1.00 1.46 C ATOM 2170 CD GLU A 139 -27.224 2.779 -3.678 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.284 2.225 -4.289 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -28.251 2.164 -3.322 1.00 2.99 O ATOM 2173 OXT GLU A 139 -28.977 8.302 -3.539 1.00 2.51 O ATOM 0 H GLU A 139 -25.963 6.321 -2.759 1.00 1.14 H new ATOM 0 HA GLU A 139 -27.406 7.176 -5.191 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -28.501 4.893 -4.858 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -26.827 4.911 -5.376 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -26.092 4.480 -3.054 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -27.760 4.490 -2.516 1.00 1.46 H new TER 2180 GLU A 139