USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 hydrogens (66 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 124 SER OG : rot 124:sc= 0.514! USER MOD Set 1.2: A 129 OLA O2 : rot -170:sc= 1.15 USER MOD Set 2.1: A 102 THR OG1 : rot -59:sc= 1.2 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.976 K(o=2.2,f=-2.5!) USER MOD Set 3.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 94 THR OG1 : rot -106:sc= 0.999 USER MOD Set 4.2: A 99 LYS NZ :NH3+ -173:sc= 1.86 (180deg=0.556) USER MOD Set 5.1: A 81 THR OG1 : rot -56:sc= 1.2 USER MOD Set 5.2: A 93 THR OG1 : rot 49:sc= 2.19 USER MOD Set 6.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 56 SER OG : rot 171:sc= 0.773 USER MOD Set 7.2: A 128 OLA O2 : rot 30:sc= 1.06 USER MOD Set 8.1: A 10 GLN : amide:sc= 0.979 K(o=2.1,f=-4) USER MOD Set 8.2: A 36 LYS NZ :NH3+ 179:sc= 1.15 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.711 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 7 TYR OH : rot -130:sc= -0.0207 USER MOD Single : A 8 GLN : amide:sc= 0.862 K(o=0.86,f=-0.17) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.42 K(o=1.4,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 19 MET CE :methyl 142:sc= -0.0329 (180deg=-0.984) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 2.07 (180deg=1.33) USER MOD Single : A 30 GLN : amide:sc= 1.01 K(o=1,f=-0.62) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 2.37 (180deg=2.09) USER MOD Single : A 33 LYS NZ :NH3+ 145:sc= 1.24 (180deg=-0.406!) USER MOD Single : A 39 SER OG : rot -158:sc= 0.938 USER MOD Single : A 43 GLN : amide:sc= 2.09 K(o=2.1,f=-3.5!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0.885) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 1.09 (180deg=-0.536!) USER MOD Single : A 51 THR OG1 : rot 137:sc= 0.994 USER MOD Single : A 53 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.13) USER MOD Single : A 60 GLN : amide:sc= 0.144 K(o=0.14,f=-1.3) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 69 CYS SG : rot 44:sc= 0.777 USER MOD Single : A 73 THR OG1 : rot -119:sc= 1.02 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -143:sc= 1.31 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.13) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.00688!) USER MOD Single : A 84 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.0034) USER MOD Single : A 89 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.954) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.314) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 110 THR OG1 : rot -2:sc= 1.22 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00333 USER MOD Single : A 114 THR OG1 : rot -60:sc= 0.834 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 6.690 -10.493 -10.880 1.00 0.00 N ATOM 2 CA SER A 2 7.531 -11.021 -9.779 1.00 0.00 C ATOM 3 C SER A 2 7.549 -10.021 -8.589 1.00 0.00 C ATOM 4 O SER A 2 8.286 -9.030 -8.583 1.00 0.00 O ATOM 5 CB SER A 2 8.935 -11.316 -10.348 1.00 0.00 C ATOM 6 OG SER A 2 9.790 -11.881 -9.353 1.00 0.00 O ATOM 0 HA SER A 2 7.124 -11.951 -9.381 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.851 -12.002 -11.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.376 -10.395 -10.729 1.00 0.00 H new ATOM 0 HG SER A 2 10.672 -12.059 -9.742 1.00 0.00 H new ATOM 13 N PHE A 3 6.754 -10.318 -7.556 1.00 0.00 N ATOM 14 CA PHE A 3 6.582 -9.431 -6.365 1.00 0.00 C ATOM 15 C PHE A 3 7.569 -9.608 -5.163 1.00 0.00 C ATOM 16 O PHE A 3 7.456 -8.846 -4.203 1.00 0.00 O ATOM 17 CB PHE A 3 5.097 -9.542 -5.907 1.00 0.00 C ATOM 18 CG PHE A 3 4.088 -8.794 -6.790 1.00 0.00 C ATOM 19 CD1 PHE A 3 3.782 -7.454 -6.529 1.00 0.00 C ATOM 20 CD2 PHE A 3 3.444 -9.453 -7.844 1.00 0.00 C ATOM 21 CE1 PHE A 3 2.846 -6.783 -7.312 1.00 0.00 C ATOM 22 CE2 PHE A 3 2.493 -8.785 -8.606 1.00 0.00 C ATOM 23 CZ PHE A 3 2.193 -7.453 -8.339 1.00 0.00 C ATOM 0 H PHE A 3 6.205 -11.176 -7.507 1.00 0.00 H new ATOM 0 HA PHE A 3 6.849 -8.431 -6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.820 -10.596 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 3 5.017 -9.162 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.273 -6.938 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.687 -10.482 -8.065 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.628 -5.743 -7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.986 -9.301 -9.408 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.451 -6.939 -8.931 1.00 0.00 H new ATOM 33 N SER A 4 8.538 -10.543 -5.176 1.00 0.00 N ATOM 34 CA SER A 4 9.496 -10.718 -4.047 1.00 0.00 C ATOM 35 C SER A 4 10.603 -9.609 -4.019 1.00 0.00 C ATOM 36 O SER A 4 11.385 -9.477 -4.970 1.00 0.00 O ATOM 37 CB SER A 4 10.083 -12.147 -4.095 1.00 0.00 C ATOM 38 OG SER A 4 9.077 -13.118 -3.790 1.00 0.00 O ATOM 0 H SER A 4 8.685 -11.191 -5.950 1.00 0.00 H new ATOM 0 HA SER A 4 8.955 -10.597 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.496 -12.343 -5.085 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.905 -12.232 -3.384 1.00 0.00 H new ATOM 0 HG SER A 4 9.467 -14.016 -3.827 1.00 0.00 H new ATOM 44 N GLY A 5 10.660 -8.815 -2.934 1.00 0.00 N ATOM 45 CA GLY A 5 11.656 -7.722 -2.788 1.00 0.00 C ATOM 46 C GLY A 5 11.349 -6.705 -1.662 1.00 0.00 C ATOM 47 O GLY A 5 10.255 -6.657 -1.091 1.00 0.00 O ATOM 0 H GLY A 5 10.028 -8.906 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.634 -8.165 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.725 -7.185 -3.734 1.00 0.00 H new ATOM 51 N LYS A 6 12.353 -5.873 -1.367 1.00 0.00 N ATOM 52 CA LYS A 6 12.263 -4.761 -0.375 1.00 0.00 C ATOM 53 C LYS A 6 12.238 -3.427 -1.186 1.00 0.00 C ATOM 54 O LYS A 6 13.266 -2.794 -1.421 1.00 0.00 O ATOM 55 CB LYS A 6 13.485 -4.848 0.576 1.00 0.00 C ATOM 56 CG LYS A 6 13.496 -6.031 1.573 1.00 0.00 C ATOM 57 CD LYS A 6 14.816 -6.091 2.374 1.00 0.00 C ATOM 58 CE LYS A 6 14.962 -7.309 3.309 1.00 0.00 C ATOM 59 NZ LYS A 6 14.085 -7.201 4.507 1.00 0.00 N ATOM 0 H LYS A 6 13.270 -5.942 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 6 11.365 -4.819 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.388 -4.905 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.542 -3.920 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.657 -5.934 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.357 -6.966 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.649 -6.091 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.902 -5.183 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.716 -8.218 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.001 -7.399 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.214 -8.040 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.336 -6.347 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.091 -7.141 4.206 1.00 0.00 H new ATOM 73 N TYR A 7 11.053 -2.983 -1.615 1.00 0.00 N ATOM 74 CA TYR A 7 10.905 -1.855 -2.578 1.00 0.00 C ATOM 75 C TYR A 7 10.988 -0.461 -1.880 1.00 0.00 C ATOM 76 O TYR A 7 10.056 -0.073 -1.172 1.00 0.00 O ATOM 77 CB TYR A 7 9.558 -2.015 -3.362 1.00 0.00 C ATOM 78 CG TYR A 7 9.309 -3.299 -4.194 1.00 0.00 C ATOM 79 CD1 TYR A 7 8.955 -4.497 -3.559 1.00 0.00 C ATOM 80 CD2 TYR A 7 9.376 -3.269 -5.592 1.00 0.00 C ATOM 81 CE1 TYR A 7 8.745 -5.655 -4.301 1.00 0.00 C ATOM 82 CE2 TYR A 7 9.140 -4.425 -6.337 1.00 0.00 C ATOM 83 CZ TYR A 7 8.851 -5.622 -5.687 1.00 0.00 C ATOM 84 OH TYR A 7 8.726 -6.786 -6.394 1.00 0.00 O ATOM 0 H TYR A 7 10.165 -3.384 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 7 11.740 -1.895 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.747 -1.932 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.470 -1.165 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.844 -4.522 -2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.612 -2.344 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.500 -6.580 -3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.181 -4.391 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 7 9.476 -6.871 -7.019 1.00 0.00 H new ATOM 94 N GLN A 8 12.079 0.308 -2.065 1.00 0.00 N ATOM 95 CA GLN A 8 12.207 1.655 -1.436 1.00 0.00 C ATOM 96 C GLN A 8 11.418 2.775 -2.193 1.00 0.00 C ATOM 97 O GLN A 8 11.487 2.903 -3.421 1.00 0.00 O ATOM 98 CB GLN A 8 13.696 2.021 -1.225 1.00 0.00 C ATOM 99 CG GLN A 8 13.895 3.174 -0.204 1.00 0.00 C ATOM 100 CD GLN A 8 15.331 3.630 0.041 1.00 0.00 C ATOM 101 OE1 GLN A 8 16.307 3.186 -0.555 1.00 0.00 O ATOM 102 NE2 GLN A 8 15.493 4.569 0.938 1.00 0.00 N ATOM 0 H GLN A 8 12.879 0.033 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 8 11.733 1.592 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.236 1.139 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.133 2.309 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.318 4.034 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.469 2.862 0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.686 4.942 1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.427 4.928 1.138 1.00 0.00 H new ATOM 111 N LEU A 9 10.710 3.617 -1.420 1.00 0.00 N ATOM 112 CA LEU A 9 9.869 4.721 -1.950 1.00 0.00 C ATOM 113 C LEU A 9 10.681 5.883 -2.598 1.00 0.00 C ATOM 114 O LEU A 9 11.658 6.385 -2.039 1.00 0.00 O ATOM 115 CB LEU A 9 8.943 5.186 -0.789 1.00 0.00 C ATOM 116 CG LEU A 9 7.926 6.322 -1.090 1.00 0.00 C ATOM 117 CD1 LEU A 9 6.903 5.946 -2.177 1.00 0.00 C ATOM 118 CD2 LEU A 9 7.185 6.709 0.197 1.00 0.00 C ATOM 0 H LEU A 9 10.701 3.556 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 9 9.271 4.355 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.384 4.319 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.577 5.512 0.036 1.00 0.00 H new ATOM 0 HG LEU A 9 8.501 7.166 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.222 6.781 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.426 5.718 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.336 5.072 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.473 7.506 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.652 5.841 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.903 7.056 0.940 1.00 0.00 H new ATOM 130 N GLN A 10 10.231 6.306 -3.786 1.00 0.00 N ATOM 131 CA GLN A 10 10.858 7.405 -4.566 1.00 0.00 C ATOM 132 C GLN A 10 9.910 8.638 -4.650 1.00 0.00 C ATOM 133 O GLN A 10 10.263 9.711 -4.155 1.00 0.00 O ATOM 134 CB GLN A 10 11.270 6.855 -5.958 1.00 0.00 C ATOM 135 CG GLN A 10 12.346 5.745 -5.944 1.00 0.00 C ATOM 136 CD GLN A 10 13.796 6.202 -5.715 1.00 0.00 C ATOM 137 OE1 GLN A 10 14.102 7.294 -5.235 1.00 0.00 O ATOM 138 NE2 GLN A 10 14.742 5.353 -6.037 1.00 0.00 N ATOM 0 H GLN A 10 9.416 5.899 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 10 11.758 7.760 -4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.380 6.468 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.637 7.684 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.087 5.028 -5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.301 5.214 -6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.499 4.446 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.721 5.600 -5.889 1.00 0.00 H new ATOM 147 N SER A 11 8.733 8.491 -5.286 1.00 0.00 N ATOM 148 CA SER A 11 7.720 9.577 -5.399 1.00 0.00 C ATOM 149 C SER A 11 6.372 9.175 -4.714 1.00 0.00 C ATOM 150 O SER A 11 5.901 8.038 -4.825 1.00 0.00 O ATOM 151 CB SER A 11 7.565 9.924 -6.897 1.00 0.00 C ATOM 152 OG SER A 11 6.652 11.003 -7.096 1.00 0.00 O ATOM 0 H SER A 11 8.450 7.621 -5.738 1.00 0.00 H new ATOM 0 HA SER A 11 8.050 10.469 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.538 10.189 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.215 9.046 -7.440 1.00 0.00 H new ATOM 0 HG SER A 11 6.579 11.197 -8.054 1.00 0.00 H new ATOM 158 N GLN A 12 5.757 10.126 -3.991 1.00 0.00 N ATOM 159 CA GLN A 12 4.455 9.926 -3.294 1.00 0.00 C ATOM 160 C GLN A 12 3.508 11.089 -3.733 1.00 0.00 C ATOM 161 O GLN A 12 3.765 12.256 -3.420 1.00 0.00 O ATOM 162 CB GLN A 12 4.750 9.850 -1.771 1.00 0.00 C ATOM 163 CG GLN A 12 3.595 9.288 -0.906 1.00 0.00 C ATOM 164 CD GLN A 12 3.935 8.789 0.510 1.00 0.00 C ATOM 165 OE1 GLN A 12 3.517 7.712 0.928 1.00 0.00 O ATOM 166 NE2 GLN A 12 4.645 9.541 1.316 1.00 0.00 N ATOM 0 H GLN A 12 6.143 11.062 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 12 3.944 8.999 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.633 9.229 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.997 10.850 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.837 10.066 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.139 8.462 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.003 10.439 0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.839 9.228 2.267 1.00 0.00 H new ATOM 175 N GLU A 13 2.427 10.769 -4.468 1.00 0.00 N ATOM 176 CA GLU A 13 1.545 11.785 -5.108 1.00 0.00 C ATOM 177 C GLU A 13 0.486 12.412 -4.135 1.00 0.00 C ATOM 178 O GLU A 13 0.839 13.276 -3.325 1.00 0.00 O ATOM 179 CB GLU A 13 1.021 11.073 -6.392 1.00 0.00 C ATOM 180 CG GLU A 13 0.281 11.948 -7.434 1.00 0.00 C ATOM 181 CD GLU A 13 -0.420 11.113 -8.497 1.00 0.00 C ATOM 182 OE1 GLU A 13 0.245 10.661 -9.454 1.00 0.00 O ATOM 183 OE2 GLU A 13 -1.637 10.878 -8.356 1.00 0.00 O ATOM 0 H GLU A 13 2.134 9.807 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 13 2.065 12.701 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.870 10.602 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.348 10.273 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.452 12.573 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.994 12.619 -7.914 1.00 0.00 H new ATOM 190 N ASN A 14 -0.794 11.991 -4.169 1.00 0.00 N ATOM 191 CA ASN A 14 -1.874 12.606 -3.343 1.00 0.00 C ATOM 192 C ASN A 14 -1.936 12.100 -1.862 1.00 0.00 C ATOM 193 O ASN A 14 -2.938 11.540 -1.410 1.00 0.00 O ATOM 194 CB ASN A 14 -3.219 12.433 -4.105 1.00 0.00 C ATOM 195 CG ASN A 14 -3.443 13.349 -5.309 1.00 0.00 C ATOM 196 OD1 ASN A 14 -3.640 14.551 -5.166 1.00 0.00 O ATOM 197 ND2 ASN A 14 -3.450 12.834 -6.515 1.00 0.00 N ATOM 0 H ASN A 14 -1.115 11.224 -4.760 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.648 13.665 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.288 11.400 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.034 12.592 -3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.618 13.432 -7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.287 11.835 -6.644 1.00 0.00 H new ATOM 204 N PHE A 15 -0.869 12.351 -1.085 1.00 0.00 N ATOM 205 CA PHE A 15 -0.829 12.029 0.374 1.00 0.00 C ATOM 206 C PHE A 15 -1.655 13.062 1.220 1.00 0.00 C ATOM 207 O PHE A 15 -2.595 12.667 1.915 1.00 0.00 O ATOM 208 CB PHE A 15 0.662 11.879 0.780 1.00 0.00 C ATOM 209 CG PHE A 15 0.913 11.224 2.147 1.00 0.00 C ATOM 210 CD1 PHE A 15 0.944 12.004 3.304 1.00 0.00 C ATOM 211 CD2 PHE A 15 1.191 9.857 2.241 1.00 0.00 C ATOM 212 CE1 PHE A 15 1.267 11.428 4.530 1.00 0.00 C ATOM 213 CE2 PHE A 15 1.533 9.287 3.464 1.00 0.00 C ATOM 214 CZ PHE A 15 1.567 10.074 4.609 1.00 0.00 C ATOM 0 H PHE A 15 -0.011 12.779 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.326 11.083 0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.171 11.291 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.121 12.867 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.717 13.058 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.140 9.238 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.284 12.036 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.771 8.235 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.827 9.633 5.560 1.00 0.00 H new ATOM 224 N GLU A 16 -1.337 14.372 1.127 1.00 0.00 N ATOM 225 CA GLU A 16 -2.106 15.478 1.779 1.00 0.00 C ATOM 226 C GLU A 16 -3.652 15.485 1.512 1.00 0.00 C ATOM 227 O GLU A 16 -4.442 15.549 2.460 1.00 0.00 O ATOM 228 CB GLU A 16 -1.430 16.823 1.362 1.00 0.00 C ATOM 229 CG GLU A 16 -0.299 17.326 2.297 1.00 0.00 C ATOM 230 CD GLU A 16 -0.816 18.063 3.518 1.00 0.00 C ATOM 231 OE1 GLU A 16 -1.247 19.228 3.384 1.00 0.00 O ATOM 232 OE2 GLU A 16 -0.877 17.477 4.617 1.00 0.00 O ATOM 0 H GLU A 16 -0.533 14.704 0.594 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.058 15.322 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.022 16.707 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.199 17.593 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.301 16.475 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.362 17.986 1.735 1.00 0.00 H new ATOM 239 N ALA A 17 -4.074 15.397 0.236 1.00 0.00 N ATOM 240 CA ALA A 17 -5.508 15.287 -0.144 1.00 0.00 C ATOM 241 C ALA A 17 -6.242 13.987 0.339 1.00 0.00 C ATOM 242 O ALA A 17 -7.392 14.073 0.773 1.00 0.00 O ATOM 243 CB ALA A 17 -5.563 15.470 -1.673 1.00 0.00 C ATOM 0 H ALA A 17 -3.439 15.400 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.069 16.062 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.597 15.399 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.162 16.448 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.969 14.693 -2.154 1.00 0.00 H new ATOM 249 N PHE A 18 -5.593 12.805 0.290 1.00 0.00 N ATOM 250 CA PHE A 18 -6.176 11.528 0.797 1.00 0.00 C ATOM 251 C PHE A 18 -6.287 11.459 2.347 1.00 0.00 C ATOM 252 O PHE A 18 -7.385 11.220 2.852 1.00 0.00 O ATOM 253 CB PHE A 18 -5.369 10.360 0.165 1.00 0.00 C ATOM 254 CG PHE A 18 -5.915 8.936 0.373 1.00 0.00 C ATOM 255 CD1 PHE A 18 -5.571 8.221 1.526 1.00 0.00 C ATOM 256 CD2 PHE A 18 -6.686 8.310 -0.614 1.00 0.00 C ATOM 257 CE1 PHE A 18 -5.974 6.900 1.683 1.00 0.00 C ATOM 258 CE2 PHE A 18 -7.088 6.986 -0.456 1.00 0.00 C ATOM 259 CZ PHE A 18 -6.729 6.283 0.691 1.00 0.00 C ATOM 0 H PHE A 18 -4.656 12.700 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.218 11.454 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.296 10.541 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.355 10.395 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.988 8.699 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.970 8.856 -1.501 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.701 6.354 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.678 6.505 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.038 5.255 0.811 1.00 0.00 H new ATOM 269 N MET A 19 -5.188 11.673 3.095 1.00 0.00 N ATOM 270 CA MET A 19 -5.199 11.640 4.584 1.00 0.00 C ATOM 271 C MET A 19 -6.148 12.696 5.249 1.00 0.00 C ATOM 272 O MET A 19 -6.854 12.341 6.197 1.00 0.00 O ATOM 273 CB MET A 19 -3.742 11.663 5.102 1.00 0.00 C ATOM 274 CG MET A 19 -2.905 10.384 4.870 1.00 0.00 C ATOM 275 SD MET A 19 -2.699 10.037 3.110 1.00 0.00 S ATOM 276 CE MET A 19 -2.293 8.286 3.127 1.00 0.00 C ATOM 0 H MET A 19 -4.271 11.873 2.696 1.00 0.00 H new ATOM 0 HA MET A 19 -5.654 10.702 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.226 12.499 4.630 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.764 11.866 6.173 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.926 10.499 5.336 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.391 9.537 5.354 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.769 7.794 2.279 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.212 8.162 3.058 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.651 7.838 4.054 1.00 0.00 H new ATOM 286 N LYS A 20 -6.224 13.951 4.749 1.00 0.00 N ATOM 287 CA LYS A 20 -7.288 14.911 5.175 1.00 0.00 C ATOM 288 C LYS A 20 -8.737 14.454 4.763 1.00 0.00 C ATOM 289 O LYS A 20 -9.634 14.551 5.606 1.00 0.00 O ATOM 290 CB LYS A 20 -6.958 16.356 4.709 1.00 0.00 C ATOM 291 CG LYS A 20 -5.978 17.118 5.638 1.00 0.00 C ATOM 292 CD LYS A 20 -5.802 18.610 5.263 1.00 0.00 C ATOM 293 CE LYS A 20 -4.669 18.910 4.261 1.00 0.00 C ATOM 294 NZ LYS A 20 -3.368 19.022 4.970 1.00 0.00 N ATOM 0 H LYS A 20 -5.574 14.326 4.059 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.293 14.914 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.531 16.313 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.886 16.923 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.337 17.050 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.005 16.627 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.740 18.975 4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.617 19.177 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.616 18.118 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.881 19.837 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.673 19.483 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.491 19.589 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.029 18.073 5.225 1.00 0.00 H new ATOM 308 N ALA A 21 -8.988 13.934 3.535 1.00 0.00 N ATOM 309 CA ALA A 21 -10.312 13.354 3.160 1.00 0.00 C ATOM 310 C ALA A 21 -10.796 12.132 4.019 1.00 0.00 C ATOM 311 O ALA A 21 -11.986 12.056 4.332 1.00 0.00 O ATOM 312 CB ALA A 21 -10.262 13.016 1.658 1.00 0.00 C ATOM 0 H ALA A 21 -8.296 13.902 2.786 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.068 14.108 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.216 12.589 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.069 13.924 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.465 12.295 1.474 1.00 0.00 H new ATOM 318 N ILE A 22 -9.903 11.200 4.416 1.00 0.00 N ATOM 319 CA ILE A 22 -10.259 10.063 5.333 1.00 0.00 C ATOM 320 C ILE A 22 -10.258 10.405 6.875 1.00 0.00 C ATOM 321 O ILE A 22 -10.630 9.542 7.677 1.00 0.00 O ATOM 322 CB ILE A 22 -9.449 8.754 4.998 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.918 8.842 5.259 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.730 8.247 3.560 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.191 7.492 5.367 1.00 0.00 C ATOM 0 H ILE A 22 -8.926 11.201 4.123 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.309 9.865 5.118 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.826 8.022 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.462 9.418 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.755 9.399 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.150 7.343 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.792 8.026 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.446 9.015 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.130 7.664 5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.612 6.917 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.314 6.937 4.437 1.00 0.00 H new ATOM 337 N GLY A 23 -9.849 11.616 7.303 1.00 0.00 N ATOM 338 CA GLY A 23 -9.870 12.042 8.728 1.00 0.00 C ATOM 339 C GLY A 23 -8.599 11.833 9.578 1.00 0.00 C ATOM 340 O GLY A 23 -8.713 11.342 10.702 1.00 0.00 O ATOM 0 H GLY A 23 -9.492 12.333 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.114 13.104 8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.688 11.515 9.219 1.00 0.00 H new ATOM 344 N LEU A 24 -7.416 12.240 9.085 1.00 0.00 N ATOM 345 CA LEU A 24 -6.135 12.132 9.844 1.00 0.00 C ATOM 346 C LEU A 24 -5.512 13.526 10.250 1.00 0.00 C ATOM 347 O LEU A 24 -5.809 14.540 9.607 1.00 0.00 O ATOM 348 CB LEU A 24 -5.140 11.220 9.060 1.00 0.00 C ATOM 349 CG LEU A 24 -5.029 9.774 9.615 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.185 8.880 9.141 1.00 0.00 C ATOM 351 CD2 LEU A 24 -3.682 9.149 9.238 1.00 0.00 C ATOM 0 H LEU A 24 -7.310 12.651 8.158 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.356 11.661 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.452 11.174 8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.152 11.680 9.077 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.095 9.844 10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.064 7.879 9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.132 9.300 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.180 8.826 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.626 8.136 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.587 9.117 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.873 9.749 9.656 1.00 0.00 H new ATOM 363 N PRO A 25 -4.624 13.626 11.292 1.00 0.00 N ATOM 364 CA PRO A 25 -4.035 14.921 11.731 1.00 0.00 C ATOM 365 C PRO A 25 -2.882 15.472 10.852 1.00 0.00 C ATOM 366 O PRO A 25 -1.935 14.757 10.511 1.00 0.00 O ATOM 367 CB PRO A 25 -3.506 14.604 13.141 1.00 0.00 C ATOM 368 CG PRO A 25 -3.299 13.089 13.189 1.00 0.00 C ATOM 369 CD PRO A 25 -4.193 12.478 12.114 1.00 0.00 C ATOM 0 HA PRO A 25 -4.789 15.706 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.571 15.131 13.334 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.215 14.924 13.904 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.254 12.837 13.009 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.557 12.696 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.651 11.744 11.517 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.047 11.963 12.554 1.00 0.00 H new ATOM 377 N GLU A 26 -2.915 16.785 10.594 1.00 0.00 N ATOM 378 CA GLU A 26 -1.872 17.495 9.807 1.00 0.00 C ATOM 379 C GLU A 26 -0.394 17.371 10.320 1.00 0.00 C ATOM 380 O GLU A 26 0.520 17.271 9.499 1.00 0.00 O ATOM 381 CB GLU A 26 -2.357 18.946 9.621 1.00 0.00 C ATOM 382 CG GLU A 26 -3.624 19.121 8.736 1.00 0.00 C ATOM 383 CD GLU A 26 -3.807 20.504 8.139 1.00 0.00 C ATOM 384 OE1 GLU A 26 -4.389 21.381 8.805 1.00 0.00 O ATOM 385 OE2 GLU A 26 -3.405 20.697 6.971 1.00 0.00 O ATOM 0 H GLU A 26 -3.663 17.396 10.921 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.775 16.991 8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.560 19.371 10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.546 19.528 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.584 18.394 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.503 18.882 9.335 1.00 0.00 H new ATOM 392 N GLU A 27 -0.176 17.332 11.649 1.00 0.00 N ATOM 393 CA GLU A 27 1.142 17.020 12.281 1.00 0.00 C ATOM 394 C GLU A 27 1.736 15.625 11.867 1.00 0.00 C ATOM 395 O GLU A 27 2.877 15.569 11.396 1.00 0.00 O ATOM 396 CB GLU A 27 0.932 17.235 13.810 1.00 0.00 C ATOM 397 CG GLU A 27 2.126 16.934 14.759 1.00 0.00 C ATOM 398 CD GLU A 27 2.219 15.510 15.301 1.00 0.00 C ATOM 399 OE1 GLU A 27 1.206 14.980 15.801 1.00 0.00 O ATOM 400 OE2 GLU A 27 3.322 14.926 15.265 1.00 0.00 O ATOM 0 H GLU A 27 -0.912 17.517 12.331 1.00 0.00 H new ATOM 0 HA GLU A 27 1.927 17.684 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.636 18.273 13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.092 16.614 14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.050 17.158 14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.071 17.619 15.605 1.00 0.00 H new ATOM 407 N LEU A 28 0.969 14.518 11.982 1.00 0.00 N ATOM 408 CA LEU A 28 1.415 13.177 11.488 1.00 0.00 C ATOM 409 C LEU A 28 1.502 13.074 9.918 1.00 0.00 C ATOM 410 O LEU A 28 2.418 12.433 9.393 1.00 0.00 O ATOM 411 CB LEU A 28 0.553 12.033 12.099 1.00 0.00 C ATOM 412 CG LEU A 28 0.339 11.977 13.641 1.00 0.00 C ATOM 413 CD1 LEU A 28 -0.514 10.751 14.018 1.00 0.00 C ATOM 414 CD2 LEU A 28 1.628 11.949 14.477 1.00 0.00 C ATOM 0 H LEU A 28 0.042 14.516 12.408 1.00 0.00 H new ATOM 0 HA LEU A 28 2.439 13.054 11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.432 12.081 11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.003 11.087 11.797 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.168 12.911 13.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.655 10.725 15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.485 10.818 13.526 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.006 9.842 13.696 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.374 11.910 15.536 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.214 11.069 14.212 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.211 12.848 14.276 1.00 0.00 H new ATOM 426 N ILE A 29 0.588 13.726 9.166 1.00 0.00 N ATOM 427 CA ILE A 29 0.629 13.817 7.668 1.00 0.00 C ATOM 428 C ILE A 29 1.926 14.551 7.171 1.00 0.00 C ATOM 429 O ILE A 29 2.638 14.021 6.314 1.00 0.00 O ATOM 430 CB ILE A 29 -0.697 14.431 7.082 1.00 0.00 C ATOM 431 CG1 ILE A 29 -1.978 13.660 7.507 1.00 0.00 C ATOM 432 CG2 ILE A 29 -0.691 14.509 5.532 1.00 0.00 C ATOM 433 CD1 ILE A 29 -3.309 14.405 7.276 1.00 0.00 C ATOM 0 H ILE A 29 -0.211 14.212 9.574 1.00 0.00 H new ATOM 0 HA ILE A 29 0.685 12.802 7.274 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.723 15.435 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.011 12.716 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.898 13.414 8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.630 14.940 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.139 15.134 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.577 13.507 5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.138 13.779 7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.308 15.336 7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.422 14.627 6.215 1.00 0.00 H new ATOM 445 N GLN A 30 2.252 15.736 7.729 1.00 0.00 N ATOM 446 CA GLN A 30 3.548 16.439 7.475 1.00 0.00 C ATOM 447 C GLN A 30 4.846 15.624 7.812 1.00 0.00 C ATOM 448 O GLN A 30 5.885 15.868 7.194 1.00 0.00 O ATOM 449 CB GLN A 30 3.503 17.829 8.181 1.00 0.00 C ATOM 450 CG GLN A 30 2.980 19.037 7.347 1.00 0.00 C ATOM 451 CD GLN A 30 1.870 18.815 6.310 1.00 0.00 C ATOM 452 OE1 GLN A 30 2.118 18.820 5.108 1.00 0.00 O ATOM 453 NE2 GLN A 30 0.647 18.585 6.720 1.00 0.00 N ATOM 0 H GLN A 30 1.634 16.238 8.367 1.00 0.00 H new ATOM 0 HA GLN A 30 3.636 16.565 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.878 17.736 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.510 18.066 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.624 19.790 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.834 19.467 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.436 18.580 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.094 18.411 6.041 1.00 0.00 H new ATOM 462 N LYS A 31 4.787 14.659 8.749 1.00 0.00 N ATOM 463 CA LYS A 31 5.906 13.719 9.019 1.00 0.00 C ATOM 464 C LYS A 31 6.007 12.600 7.928 1.00 0.00 C ATOM 465 O LYS A 31 7.049 12.493 7.278 1.00 0.00 O ATOM 466 CB LYS A 31 5.718 13.152 10.448 1.00 0.00 C ATOM 467 CG LYS A 31 6.117 14.112 11.590 1.00 0.00 C ATOM 468 CD LYS A 31 5.691 13.533 12.947 1.00 0.00 C ATOM 469 CE LYS A 31 6.282 14.286 14.147 1.00 0.00 C ATOM 470 NZ LYS A 31 5.643 13.729 15.363 1.00 0.00 N ATOM 0 H LYS A 31 3.970 14.504 9.340 1.00 0.00 H new ATOM 0 HA LYS A 31 6.859 14.246 8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.672 12.873 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.305 12.238 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.195 14.274 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.647 15.084 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.603 13.552 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.995 12.488 12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.364 14.160 14.187 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.089 15.356 14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.163 14.047 16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.658 14.059 15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.658 12.690 15.318 1.00 0.00 H new ATOM 484 N GLY A 32 4.952 11.787 7.705 1.00 0.00 N ATOM 485 CA GLY A 32 4.980 10.709 6.676 1.00 0.00 C ATOM 486 C GLY A 32 4.926 11.051 5.165 1.00 0.00 C ATOM 487 O GLY A 32 5.107 10.133 4.361 1.00 0.00 O ATOM 0 H GLY A 32 4.072 11.851 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.890 10.132 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.140 10.046 6.884 1.00 0.00 H new ATOM 491 N LYS A 33 4.691 12.312 4.761 1.00 0.00 N ATOM 492 CA LYS A 33 4.640 12.705 3.321 1.00 0.00 C ATOM 493 C LYS A 33 5.967 12.617 2.486 1.00 0.00 C ATOM 494 O LYS A 33 5.917 12.184 1.331 1.00 0.00 O ATOM 495 CB LYS A 33 3.954 14.095 3.195 1.00 0.00 C ATOM 496 CG LYS A 33 4.696 15.302 3.825 1.00 0.00 C ATOM 497 CD LYS A 33 4.054 16.671 3.539 1.00 0.00 C ATOM 498 CE LYS A 33 4.325 17.234 2.127 1.00 0.00 C ATOM 499 NZ LYS A 33 5.713 17.765 1.992 1.00 0.00 N ATOM 0 H LYS A 33 4.532 13.086 5.405 1.00 0.00 H new ATOM 0 HA LYS A 33 4.046 11.925 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.803 14.304 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.966 14.028 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.746 15.158 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.722 15.313 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.976 16.587 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.417 17.387 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.164 16.450 1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.611 18.028 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.063 17.582 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.712 18.789 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.333 17.294 2.681 1.00 0.00 H new ATOM 513 N ASP A 34 7.120 13.018 3.052 1.00 0.00 N ATOM 514 CA ASP A 34 8.429 13.068 2.322 1.00 0.00 C ATOM 515 C ASP A 34 9.482 11.951 2.687 1.00 0.00 C ATOM 516 O ASP A 34 10.565 11.921 2.092 1.00 0.00 O ATOM 517 CB ASP A 34 9.041 14.485 2.540 1.00 0.00 C ATOM 518 CG ASP A 34 8.207 15.691 2.090 1.00 0.00 C ATOM 519 OD1 ASP A 34 7.890 15.828 0.891 1.00 0.00 O ATOM 520 OD2 ASP A 34 7.817 16.507 2.953 1.00 0.00 O ATOM 0 H ASP A 34 7.185 13.318 4.025 1.00 0.00 H new ATOM 0 HA ASP A 34 8.201 12.863 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.253 14.600 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.997 14.523 2.018 1.00 0.00 H new ATOM 525 N ILE A 35 9.197 11.021 3.623 1.00 0.00 N ATOM 526 CA ILE A 35 10.164 9.970 4.073 1.00 0.00 C ATOM 527 C ILE A 35 10.285 8.830 3.002 1.00 0.00 C ATOM 528 O ILE A 35 9.329 8.082 2.768 1.00 0.00 O ATOM 529 CB ILE A 35 9.770 9.439 5.508 1.00 0.00 C ATOM 530 CG1 ILE A 35 9.822 10.541 6.613 1.00 0.00 C ATOM 531 CG2 ILE A 35 10.641 8.237 5.978 1.00 0.00 C ATOM 532 CD1 ILE A 35 9.103 10.203 7.934 1.00 0.00 C ATOM 0 H ILE A 35 8.294 10.969 4.094 1.00 0.00 H new ATOM 0 HA ILE A 35 11.158 10.408 4.164 1.00 0.00 H new ATOM 0 HB ILE A 35 8.739 9.109 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.867 10.757 6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.387 11.455 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.319 7.921 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 35 10.527 7.409 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.688 8.539 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.204 11.038 8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.047 10.020 7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.550 9.311 8.373 1.00 0.00 H new ATOM 544 N LYS A 36 11.483 8.652 2.406 1.00 0.00 N ATOM 545 CA LYS A 36 11.745 7.547 1.435 1.00 0.00 C ATOM 546 C LYS A 36 12.000 6.172 2.155 1.00 0.00 C ATOM 547 O LYS A 36 13.128 5.670 2.218 1.00 0.00 O ATOM 548 CB LYS A 36 12.925 7.936 0.498 1.00 0.00 C ATOM 549 CG LYS A 36 12.649 9.041 -0.551 1.00 0.00 C ATOM 550 CD LYS A 36 13.712 9.019 -1.673 1.00 0.00 C ATOM 551 CE LYS A 36 13.454 10.066 -2.769 1.00 0.00 C ATOM 552 NZ LYS A 36 14.336 9.794 -3.939 1.00 0.00 N ATOM 0 H LYS A 36 12.289 9.254 2.574 1.00 0.00 H new ATOM 0 HA LYS A 36 10.850 7.408 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.760 8.259 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.249 7.039 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.658 8.899 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.648 10.017 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.696 9.193 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.735 8.027 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.408 10.037 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.645 11.067 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.148 10.493 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.332 9.860 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.145 8.839 -4.303 1.00 0.00 H new ATOM 566 N GLY A 37 10.929 5.556 2.683 1.00 0.00 N ATOM 567 CA GLY A 37 11.023 4.261 3.406 1.00 0.00 C ATOM 568 C GLY A 37 10.924 2.986 2.537 1.00 0.00 C ATOM 569 O GLY A 37 10.686 3.027 1.329 1.00 0.00 O ATOM 0 H GLY A 37 9.982 5.930 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.971 4.237 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.231 4.228 4.154 1.00 0.00 H new ATOM 573 N VAL A 38 11.111 1.831 3.187 1.00 0.00 N ATOM 574 CA VAL A 38 11.041 0.494 2.520 1.00 0.00 C ATOM 575 C VAL A 38 9.575 -0.070 2.545 1.00 0.00 C ATOM 576 O VAL A 38 8.855 0.036 3.546 1.00 0.00 O ATOM 577 CB VAL A 38 12.098 -0.477 3.166 1.00 0.00 C ATOM 578 CG1 VAL A 38 12.062 -1.919 2.604 1.00 0.00 C ATOM 579 CG2 VAL A 38 13.562 0.008 3.002 1.00 0.00 C ATOM 0 H VAL A 38 11.315 1.780 4.185 1.00 0.00 H new ATOM 0 HA VAL A 38 11.301 0.593 1.466 1.00 0.00 H new ATOM 0 HB VAL A 38 11.801 -0.475 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.821 -2.523 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.078 -2.354 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.261 -1.897 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.237 -0.708 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.801 0.092 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.678 0.981 3.479 1.00 0.00 H new ATOM 589 N SER A 39 9.164 -0.686 1.428 1.00 0.00 N ATOM 590 CA SER A 39 7.864 -1.391 1.295 1.00 0.00 C ATOM 591 C SER A 39 8.169 -2.834 0.800 1.00 0.00 C ATOM 592 O SER A 39 8.370 -3.101 -0.389 1.00 0.00 O ATOM 593 CB SER A 39 6.943 -0.659 0.310 1.00 0.00 C ATOM 594 OG SER A 39 6.437 0.562 0.847 1.00 0.00 O ATOM 0 H SER A 39 9.725 -0.714 0.577 1.00 0.00 H new ATOM 0 HA SER A 39 7.345 -1.418 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.491 -0.450 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.110 -1.309 0.044 1.00 0.00 H new ATOM 0 HG SER A 39 5.615 0.811 0.375 1.00 0.00 H new ATOM 600 N GLU A 40 8.223 -3.767 1.748 1.00 0.00 N ATOM 601 CA GLU A 40 8.540 -5.191 1.471 1.00 0.00 C ATOM 602 C GLU A 40 7.315 -6.026 1.009 1.00 0.00 C ATOM 603 O GLU A 40 6.187 -5.788 1.446 1.00 0.00 O ATOM 604 CB GLU A 40 9.117 -5.771 2.785 1.00 0.00 C ATOM 605 CG GLU A 40 9.781 -7.168 2.711 1.00 0.00 C ATOM 606 CD GLU A 40 10.368 -7.617 4.036 1.00 0.00 C ATOM 607 OE1 GLU A 40 9.603 -7.858 4.996 1.00 0.00 O ATOM 608 OE2 GLU A 40 11.608 -7.718 4.126 1.00 0.00 O ATOM 0 H GLU A 40 8.050 -3.571 2.734 1.00 0.00 H new ATOM 0 HA GLU A 40 9.247 -5.243 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.854 -5.067 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.310 -5.819 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.042 -7.898 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.569 -7.150 1.958 1.00 0.00 H new ATOM 615 N ILE A 41 7.560 -7.025 0.148 1.00 0.00 N ATOM 616 CA ILE A 41 6.533 -8.035 -0.236 1.00 0.00 C ATOM 617 C ILE A 41 7.296 -9.396 -0.440 1.00 0.00 C ATOM 618 O ILE A 41 8.298 -9.454 -1.162 1.00 0.00 O ATOM 619 CB ILE A 41 5.691 -7.680 -1.520 1.00 0.00 C ATOM 620 CG1 ILE A 41 5.066 -6.256 -1.569 1.00 0.00 C ATOM 621 CG2 ILE A 41 4.566 -8.727 -1.762 1.00 0.00 C ATOM 622 CD1 ILE A 41 4.576 -5.833 -2.965 1.00 0.00 C ATOM 0 H ILE A 41 8.464 -7.165 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 41 5.791 -8.079 0.561 1.00 0.00 H new ATOM 0 HB ILE A 41 6.438 -7.701 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.228 -6.215 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.805 -5.534 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.002 -8.456 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.010 -9.713 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.897 -8.747 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.154 -4.829 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.414 -5.840 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.812 -6.530 -3.309 1.00 0.00 H new ATOM 634 N VAL A 42 6.800 -10.494 0.159 1.00 0.00 N ATOM 635 CA VAL A 42 7.356 -11.870 -0.047 1.00 0.00 C ATOM 636 C VAL A 42 6.235 -12.697 -0.765 1.00 0.00 C ATOM 637 O VAL A 42 5.239 -13.072 -0.133 1.00 0.00 O ATOM 638 CB VAL A 42 7.826 -12.580 1.275 1.00 0.00 C ATOM 639 CG1 VAL A 42 8.679 -13.838 0.984 1.00 0.00 C ATOM 640 CG2 VAL A 42 8.619 -11.710 2.277 1.00 0.00 C ATOM 0 H VAL A 42 6.006 -10.467 0.799 1.00 0.00 H new ATOM 0 HA VAL A 42 8.264 -11.800 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 42 6.876 -12.830 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.982 -14.297 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.091 -14.550 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.565 -13.553 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.887 -12.310 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.525 -11.339 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.004 -10.867 2.593 1.00 0.00 H new ATOM 650 N GLN A 43 6.391 -13.000 -2.068 1.00 0.00 N ATOM 651 CA GLN A 43 5.368 -13.754 -2.849 1.00 0.00 C ATOM 652 C GLN A 43 5.441 -15.300 -2.604 1.00 0.00 C ATOM 653 O GLN A 43 6.332 -15.979 -3.122 1.00 0.00 O ATOM 654 CB GLN A 43 5.548 -13.356 -4.342 1.00 0.00 C ATOM 655 CG GLN A 43 4.471 -13.924 -5.306 1.00 0.00 C ATOM 656 CD GLN A 43 4.552 -13.461 -6.770 1.00 0.00 C ATOM 657 OE1 GLN A 43 5.515 -12.860 -7.237 1.00 0.00 O ATOM 658 NE2 GLN A 43 3.530 -13.747 -7.541 1.00 0.00 N ATOM 0 H GLN A 43 7.214 -12.738 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 43 4.364 -13.487 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.543 -12.269 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.529 -13.694 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.536 -15.012 -5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.489 -13.656 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.727 -14.246 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.539 -13.470 -8.523 1.00 0.00 H new ATOM 667 N ASN A 44 4.483 -15.853 -1.836 1.00 0.00 N ATOM 668 CA ASN A 44 4.412 -17.319 -1.544 1.00 0.00 C ATOM 669 C ASN A 44 3.123 -17.931 -2.198 1.00 0.00 C ATOM 670 O ASN A 44 2.195 -18.369 -1.505 1.00 0.00 O ATOM 671 CB ASN A 44 4.464 -17.549 -0.002 1.00 0.00 C ATOM 672 CG ASN A 44 5.716 -17.080 0.748 1.00 0.00 C ATOM 673 OD1 ASN A 44 6.692 -17.802 0.906 1.00 0.00 O ATOM 674 ND2 ASN A 44 5.725 -15.872 1.256 1.00 0.00 N ATOM 0 H ASN A 44 3.737 -15.312 -1.399 1.00 0.00 H new ATOM 0 HA ASN A 44 5.270 -17.831 -1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.602 -17.050 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.344 -18.617 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.539 -15.543 1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.918 -15.260 1.132 1.00 0.00 H new ATOM 681 N GLY A 45 3.058 -17.956 -3.549 1.00 0.00 N ATOM 682 CA GLY A 45 1.860 -18.438 -4.300 1.00 0.00 C ATOM 683 C GLY A 45 0.620 -17.527 -4.137 1.00 0.00 C ATOM 684 O GLY A 45 0.486 -16.516 -4.827 1.00 0.00 O ATOM 0 H GLY A 45 3.822 -17.648 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.110 -18.511 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.609 -19.443 -3.961 1.00 0.00 H new ATOM 688 N LYS A 46 -0.270 -17.903 -3.208 1.00 0.00 N ATOM 689 CA LYS A 46 -1.419 -17.050 -2.791 1.00 0.00 C ATOM 690 C LYS A 46 -1.064 -16.046 -1.634 1.00 0.00 C ATOM 691 O LYS A 46 -1.618 -14.946 -1.627 1.00 0.00 O ATOM 692 CB LYS A 46 -2.610 -17.960 -2.367 1.00 0.00 C ATOM 693 CG LYS A 46 -3.306 -18.757 -3.501 1.00 0.00 C ATOM 694 CD LYS A 46 -4.384 -19.760 -3.006 1.00 0.00 C ATOM 695 CE LYS A 46 -5.868 -19.357 -3.161 1.00 0.00 C ATOM 696 NZ LYS A 46 -6.246 -18.223 -2.277 1.00 0.00 N ATOM 0 H LYS A 46 -0.225 -18.798 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.693 -16.438 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.250 -18.670 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.359 -17.337 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.771 -18.053 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.549 -19.303 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.235 -20.701 -3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.199 -19.957 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.060 -19.084 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.500 -20.216 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.187 -18.399 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.548 -18.132 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.268 -17.343 -2.831 1.00 0.00 H new ATOM 710 N HIS A 47 -0.193 -16.401 -0.663 1.00 0.00 N ATOM 711 CA HIS A 47 0.135 -15.543 0.512 1.00 0.00 C ATOM 712 C HIS A 47 1.299 -14.544 0.224 1.00 0.00 C ATOM 713 O HIS A 47 2.458 -14.926 0.042 1.00 0.00 O ATOM 714 CB HIS A 47 0.468 -16.452 1.730 1.00 0.00 C ATOM 715 CG HIS A 47 -0.739 -17.149 2.356 1.00 0.00 C ATOM 716 ND1 HIS A 47 -1.177 -18.411 2.009 1.00 0.00 N ATOM 717 CD2 HIS A 47 -1.602 -16.586 3.308 1.00 0.00 C ATOM 718 CE1 HIS A 47 -2.294 -18.501 2.797 1.00 0.00 C ATOM 719 NE2 HIS A 47 -2.655 -17.446 3.596 1.00 0.00 N ATOM 0 H HIS A 47 0.306 -17.290 -0.666 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.738 -14.930 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.185 -17.210 1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.958 -15.848 2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.466 -15.613 3.757 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.890 -19.402 2.789 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.456 -17.328 4.216 1.00 0.00 H new ATOM 727 N PHE A 48 0.974 -13.248 0.215 1.00 0.00 N ATOM 728 CA PHE A 48 1.944 -12.156 -0.049 1.00 0.00 C ATOM 729 C PHE A 48 2.249 -11.451 1.309 1.00 0.00 C ATOM 730 O PHE A 48 1.438 -10.662 1.808 1.00 0.00 O ATOM 731 CB PHE A 48 1.316 -11.194 -1.092 1.00 0.00 C ATOM 732 CG PHE A 48 1.327 -11.591 -2.587 1.00 0.00 C ATOM 733 CD1 PHE A 48 0.769 -12.790 -3.051 1.00 0.00 C ATOM 734 CD2 PHE A 48 1.793 -10.659 -3.520 1.00 0.00 C ATOM 735 CE1 PHE A 48 0.698 -13.055 -4.417 1.00 0.00 C ATOM 736 CE2 PHE A 48 1.708 -10.919 -4.882 1.00 0.00 C ATOM 737 CZ PHE A 48 1.162 -12.113 -5.331 1.00 0.00 C ATOM 0 H PHE A 48 0.026 -12.914 0.391 1.00 0.00 H new ATOM 0 HA PHE A 48 2.885 -12.523 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.278 -11.030 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.827 -10.235 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.391 -13.514 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.223 -9.729 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.284 -13.989 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.068 -10.190 -5.593 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.097 -12.312 -6.391 1.00 0.00 H new ATOM 747 N LYS A 49 3.416 -11.744 1.910 1.00 0.00 N ATOM 748 CA LYS A 49 3.795 -11.192 3.246 1.00 0.00 C ATOM 749 C LYS A 49 4.469 -9.808 3.107 1.00 0.00 C ATOM 750 O LYS A 49 5.572 -9.714 2.563 1.00 0.00 O ATOM 751 CB LYS A 49 4.724 -12.169 4.013 1.00 0.00 C ATOM 752 CG LYS A 49 4.085 -13.527 4.356 1.00 0.00 C ATOM 753 CD LYS A 49 5.092 -14.549 4.925 1.00 0.00 C ATOM 754 CE LYS A 49 4.635 -16.018 4.849 1.00 0.00 C ATOM 755 NZ LYS A 49 3.452 -16.297 5.714 1.00 0.00 N ATOM 0 H LYS A 49 4.120 -12.358 1.501 1.00 0.00 H new ATOM 0 HA LYS A 49 2.877 -11.070 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.618 -12.344 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.048 -11.691 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.286 -13.372 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.625 -13.941 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.034 -14.448 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.292 -14.299 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.391 -16.266 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.459 -16.667 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.518 -17.264 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.430 -15.618 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.582 -16.204 5.152 1.00 0.00 H new ATOM 769 N PHE A 50 3.811 -8.749 3.599 1.00 0.00 N ATOM 770 CA PHE A 50 4.348 -7.365 3.494 1.00 0.00 C ATOM 771 C PHE A 50 4.941 -6.770 4.805 1.00 0.00 C ATOM 772 O PHE A 50 4.488 -7.072 5.914 1.00 0.00 O ATOM 773 CB PHE A 50 3.342 -6.430 2.748 1.00 0.00 C ATOM 774 CG PHE A 50 2.015 -5.896 3.353 1.00 0.00 C ATOM 775 CD1 PHE A 50 1.888 -5.419 4.666 1.00 0.00 C ATOM 776 CD2 PHE A 50 0.956 -5.683 2.464 1.00 0.00 C ATOM 777 CE1 PHE A 50 0.728 -4.771 5.080 1.00 0.00 C ATOM 778 CE2 PHE A 50 -0.210 -5.047 2.878 1.00 0.00 C ATOM 779 CZ PHE A 50 -0.322 -4.591 4.188 1.00 0.00 C ATOM 0 H PHE A 50 2.910 -8.813 4.073 1.00 0.00 H new ATOM 0 HA PHE A 50 5.240 -7.437 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.913 -5.550 2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.066 -6.954 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.700 -5.556 5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.045 -6.017 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.644 -4.408 6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.026 -4.908 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.226 -4.097 4.512 1.00 0.00 H new ATOM 789 N THR A 51 5.933 -5.877 4.643 1.00 0.00 N ATOM 790 CA THR A 51 6.501 -5.069 5.768 1.00 0.00 C ATOM 791 C THR A 51 6.519 -3.597 5.231 1.00 0.00 C ATOM 792 O THR A 51 7.457 -3.192 4.535 1.00 0.00 O ATOM 793 CB THR A 51 7.888 -5.594 6.263 1.00 0.00 C ATOM 794 OG1 THR A 51 7.898 -7.010 6.444 1.00 0.00 O ATOM 795 CG2 THR A 51 8.358 -4.981 7.583 1.00 0.00 C ATOM 0 H THR A 51 6.370 -5.686 3.741 1.00 0.00 H new ATOM 0 HA THR A 51 5.897 -5.143 6.672 1.00 0.00 H new ATOM 0 HB THR A 51 8.567 -5.292 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.728 -7.381 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.327 -5.400 7.854 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.448 -3.901 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.634 -5.205 8.367 1.00 0.00 H new ATOM 803 N ILE A 52 5.465 -2.806 5.516 1.00 0.00 N ATOM 804 CA ILE A 52 5.272 -1.452 4.903 1.00 0.00 C ATOM 805 C ILE A 52 5.621 -0.305 5.900 1.00 0.00 C ATOM 806 O ILE A 52 5.158 -0.266 7.041 1.00 0.00 O ATOM 807 CB ILE A 52 3.817 -1.311 4.315 1.00 0.00 C ATOM 808 CG1 ILE A 52 3.402 -2.422 3.304 1.00 0.00 C ATOM 809 CG2 ILE A 52 3.517 0.070 3.671 1.00 0.00 C ATOM 810 CD1 ILE A 52 4.288 -2.607 2.061 1.00 0.00 C ATOM 0 H ILE A 52 4.726 -3.072 6.167 1.00 0.00 H new ATOM 0 HA ILE A 52 5.973 -1.356 4.074 1.00 0.00 H new ATOM 0 HB ILE A 52 3.212 -1.424 5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.369 -3.371 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.387 -2.210 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.495 0.081 3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.635 0.854 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.211 0.246 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.886 -3.411 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.305 -1.682 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.302 -2.860 2.371 1.00 0.00 H new ATOM 822 N THR A 53 6.386 0.681 5.416 1.00 0.00 N ATOM 823 CA THR A 53 6.764 1.887 6.200 1.00 0.00 C ATOM 824 C THR A 53 5.752 3.051 5.942 1.00 0.00 C ATOM 825 O THR A 53 5.693 3.662 4.865 1.00 0.00 O ATOM 826 CB THR A 53 8.228 2.331 5.906 1.00 0.00 C ATOM 827 OG1 THR A 53 8.467 2.419 4.507 1.00 0.00 O ATOM 828 CG2 THR A 53 9.304 1.411 6.505 1.00 0.00 C ATOM 0 H THR A 53 6.766 0.675 4.470 1.00 0.00 H new ATOM 0 HA THR A 53 6.718 1.625 7.257 1.00 0.00 H new ATOM 0 HB THR A 53 8.313 3.305 6.387 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.831 1.569 4.183 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.292 1.794 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.194 1.380 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.190 0.406 6.100 1.00 0.00 H new ATOM 836 N ALA A 54 4.949 3.348 6.972 1.00 0.00 N ATOM 837 CA ALA A 54 4.029 4.515 6.993 1.00 0.00 C ATOM 838 C ALA A 54 4.698 5.703 7.753 1.00 0.00 C ATOM 839 O ALA A 54 4.315 6.067 8.871 1.00 0.00 O ATOM 840 CB ALA A 54 2.724 3.999 7.627 1.00 0.00 C ATOM 0 H ALA A 54 4.912 2.788 7.824 1.00 0.00 H new ATOM 0 HA ALA A 54 3.805 4.916 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.997 4.810 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.322 3.186 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.928 3.635 8.634 1.00 0.00 H new ATOM 846 N GLY A 55 5.732 6.295 7.122 1.00 0.00 N ATOM 847 CA GLY A 55 6.571 7.344 7.753 1.00 0.00 C ATOM 848 C GLY A 55 7.505 6.784 8.848 1.00 0.00 C ATOM 849 O GLY A 55 8.596 6.293 8.552 1.00 0.00 O ATOM 0 H GLY A 55 6.011 6.065 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.171 7.834 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.925 8.107 8.188 1.00 0.00 H new ATOM 853 N SER A 56 7.037 6.848 10.100 1.00 0.00 N ATOM 854 CA SER A 56 7.734 6.237 11.270 1.00 0.00 C ATOM 855 C SER A 56 7.242 4.787 11.627 1.00 0.00 C ATOM 856 O SER A 56 8.053 3.978 12.084 1.00 0.00 O ATOM 857 CB SER A 56 7.591 7.152 12.513 1.00 0.00 C ATOM 858 OG SER A 56 8.056 8.486 12.283 1.00 0.00 O ATOM 0 H SER A 56 6.167 7.321 10.345 1.00 0.00 H new ATOM 0 HA SER A 56 8.780 6.144 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.544 7.185 12.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.148 6.717 13.343 1.00 0.00 H new ATOM 0 HG SER A 56 7.811 9.054 13.043 1.00 0.00 H new ATOM 864 N LYS A 57 5.939 4.450 11.464 1.00 0.00 N ATOM 865 CA LYS A 57 5.392 3.117 11.840 1.00 0.00 C ATOM 866 C LYS A 57 5.641 2.005 10.767 1.00 0.00 C ATOM 867 O LYS A 57 5.342 2.170 9.579 1.00 0.00 O ATOM 868 CB LYS A 57 3.871 3.269 12.144 1.00 0.00 C ATOM 869 CG LYS A 57 3.243 2.036 12.849 1.00 0.00 C ATOM 870 CD LYS A 57 1.706 2.082 12.964 1.00 0.00 C ATOM 871 CE LYS A 57 1.163 0.817 13.659 1.00 0.00 C ATOM 872 NZ LYS A 57 -0.320 0.793 13.618 1.00 0.00 N ATOM 0 H LYS A 57 5.242 5.084 11.073 1.00 0.00 H new ATOM 0 HA LYS A 57 5.929 2.780 12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.722 4.148 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.340 3.450 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.528 1.137 12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.668 1.949 13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.407 2.966 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.266 2.172 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.560 -0.072 13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.504 0.790 14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.664 -0.105 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.696 1.585 14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.642 0.882 12.633 1.00 0.00 H new ATOM 886 N VAL A 58 6.120 0.838 11.229 1.00 0.00 N ATOM 887 CA VAL A 58 6.307 -0.368 10.370 1.00 0.00 C ATOM 888 C VAL A 58 4.997 -1.227 10.488 1.00 0.00 C ATOM 889 O VAL A 58 4.736 -1.849 11.523 1.00 0.00 O ATOM 890 CB VAL A 58 7.612 -1.140 10.771 1.00 0.00 C ATOM 891 CG1 VAL A 58 7.837 -2.396 9.902 1.00 0.00 C ATOM 892 CG2 VAL A 58 8.906 -0.295 10.665 1.00 0.00 C ATOM 0 H VAL A 58 6.390 0.693 12.202 1.00 0.00 H new ATOM 0 HA VAL A 58 6.454 -0.101 9.323 1.00 0.00 H new ATOM 0 HB VAL A 58 7.437 -1.404 11.814 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.752 -2.897 10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.993 -3.075 10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.925 -2.104 8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.762 -0.902 10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.037 0.042 9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.831 0.570 11.324 1.00 0.00 H new ATOM 902 N ILE A 59 4.176 -1.240 9.426 1.00 0.00 N ATOM 903 CA ILE A 59 2.880 -1.984 9.385 1.00 0.00 C ATOM 904 C ILE A 59 3.139 -3.318 8.613 1.00 0.00 C ATOM 905 O ILE A 59 3.237 -3.331 7.380 1.00 0.00 O ATOM 906 CB ILE A 59 1.739 -1.101 8.754 1.00 0.00 C ATOM 907 CG1 ILE A 59 1.497 0.234 9.524 1.00 0.00 C ATOM 908 CG2 ILE A 59 0.396 -1.877 8.651 1.00 0.00 C ATOM 909 CD1 ILE A 59 0.579 1.250 8.825 1.00 0.00 C ATOM 0 H ILE A 59 4.381 -0.737 8.563 1.00 0.00 H new ATOM 0 HA ILE A 59 2.524 -2.221 10.388 1.00 0.00 H new ATOM 0 HB ILE A 59 2.095 -0.854 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.071 -0.002 10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.462 0.708 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.364 -1.232 8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.532 -2.758 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.077 -2.186 9.646 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.480 2.139 9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.009 1.527 7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.404 0.805 8.669 1.00 0.00 H new ATOM 921 N GLN A 60 3.235 -4.439 9.347 1.00 0.00 N ATOM 922 CA GLN A 60 3.496 -5.778 8.758 1.00 0.00 C ATOM 923 C GLN A 60 2.261 -6.726 8.893 1.00 0.00 C ATOM 924 O GLN A 60 1.785 -7.045 9.985 1.00 0.00 O ATOM 925 CB GLN A 60 4.838 -6.361 9.278 1.00 0.00 C ATOM 926 CG GLN A 60 4.971 -6.778 10.764 1.00 0.00 C ATOM 927 CD GLN A 60 4.980 -5.628 11.782 1.00 0.00 C ATOM 928 OE1 GLN A 60 3.945 -5.146 12.228 1.00 0.00 O ATOM 929 NE2 GLN A 60 6.130 -5.121 12.154 1.00 0.00 N ATOM 0 H GLN A 60 3.135 -4.451 10.362 1.00 0.00 H new ATOM 0 HA GLN A 60 3.630 -5.671 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.068 -7.237 8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.613 -5.622 9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.147 -7.449 11.009 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.892 -7.349 10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.000 -5.511 11.792 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.155 -4.337 12.806 1.00 0.00 H new ATOM 938 N ASN A 61 1.739 -7.138 7.735 1.00 0.00 N ATOM 939 CA ASN A 61 0.559 -8.045 7.601 1.00 0.00 C ATOM 940 C ASN A 61 0.725 -8.889 6.283 1.00 0.00 C ATOM 941 O ASN A 61 1.540 -8.561 5.411 1.00 0.00 O ATOM 942 CB ASN A 61 -0.778 -7.239 7.576 1.00 0.00 C ATOM 943 CG ASN A 61 -1.262 -6.612 8.887 1.00 0.00 C ATOM 944 OD1 ASN A 61 -1.932 -7.237 9.703 1.00 0.00 O ATOM 945 ND2 ASN A 61 -0.984 -5.351 9.117 1.00 0.00 N ATOM 0 H ASN A 61 2.122 -6.853 6.834 1.00 0.00 H new ATOM 0 HA ASN A 61 0.515 -8.709 8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.673 -6.440 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.562 -7.904 7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.324 -4.901 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.428 -4.821 8.446 1.00 0.00 H new ATOM 952 N GLU A 62 -0.043 -9.984 6.113 1.00 0.00 N ATOM 953 CA GLU A 62 0.020 -10.822 4.879 1.00 0.00 C ATOM 954 C GLU A 62 -1.354 -10.950 4.163 1.00 0.00 C ATOM 955 O GLU A 62 -2.370 -11.270 4.789 1.00 0.00 O ATOM 956 CB GLU A 62 0.733 -12.170 5.150 1.00 0.00 C ATOM 957 CG GLU A 62 0.007 -13.302 5.917 1.00 0.00 C ATOM 958 CD GLU A 62 0.881 -14.540 6.043 1.00 0.00 C ATOM 959 OE1 GLU A 62 1.094 -15.249 5.034 1.00 0.00 O ATOM 960 OE2 GLU A 62 1.448 -14.784 7.127 1.00 0.00 O ATOM 0 H GLU A 62 -0.714 -10.315 6.806 1.00 0.00 H new ATOM 0 HA GLU A 62 0.644 -10.298 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.032 -12.576 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.648 -11.946 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.271 -12.949 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.917 -13.559 5.399 1.00 0.00 H new ATOM 967 N PHE A 63 -1.376 -10.691 2.841 1.00 0.00 N ATOM 968 CA PHE A 63 -2.611 -10.803 2.020 1.00 0.00 C ATOM 969 C PHE A 63 -2.664 -12.101 1.169 1.00 0.00 C ATOM 970 O PHE A 63 -1.716 -12.476 0.473 1.00 0.00 O ATOM 971 CB PHE A 63 -2.931 -9.527 1.206 1.00 0.00 C ATOM 972 CG PHE A 63 -1.947 -9.075 0.115 1.00 0.00 C ATOM 973 CD1 PHE A 63 -0.905 -8.193 0.417 1.00 0.00 C ATOM 974 CD2 PHE A 63 -2.114 -9.517 -1.203 1.00 0.00 C ATOM 975 CE1 PHE A 63 -0.048 -7.753 -0.590 1.00 0.00 C ATOM 976 CE2 PHE A 63 -1.270 -9.056 -2.209 1.00 0.00 C ATOM 977 CZ PHE A 63 -0.239 -8.174 -1.899 1.00 0.00 C ATOM 0 H PHE A 63 -0.553 -10.402 2.312 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.424 -10.892 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.902 -9.673 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.040 -8.704 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.764 -7.852 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.901 -10.218 -1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.766 -7.084 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.415 -9.382 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.415 -7.816 -2.680 1.00 0.00 H new ATOM 987 N THR A 64 -3.828 -12.752 1.211 1.00 0.00 N ATOM 988 CA THR A 64 -4.091 -14.010 0.475 1.00 0.00 C ATOM 989 C THR A 64 -4.851 -13.652 -0.842 1.00 0.00 C ATOM 990 O THR A 64 -5.973 -13.139 -0.815 1.00 0.00 O ATOM 991 CB THR A 64 -4.874 -15.001 1.394 1.00 0.00 C ATOM 992 OG1 THR A 64 -4.275 -15.114 2.681 1.00 0.00 O ATOM 993 CG2 THR A 64 -4.945 -16.427 0.832 1.00 0.00 C ATOM 0 H THR A 64 -4.626 -12.427 1.757 1.00 0.00 H new ATOM 0 HA THR A 64 -3.166 -14.517 0.199 1.00 0.00 H new ATOM 0 HB THR A 64 -5.875 -14.573 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.792 -15.741 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.503 -17.062 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.447 -16.412 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.936 -16.821 0.711 1.00 0.00 H new ATOM 1001 N VAL A 65 -4.246 -13.927 -2.009 1.00 0.00 N ATOM 1002 CA VAL A 65 -4.879 -13.648 -3.338 1.00 0.00 C ATOM 1003 C VAL A 65 -5.978 -14.732 -3.602 1.00 0.00 C ATOM 1004 O VAL A 65 -5.678 -15.931 -3.669 1.00 0.00 O ATOM 1005 CB VAL A 65 -3.784 -13.571 -4.454 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -4.305 -13.473 -5.909 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -2.802 -12.389 -4.262 1.00 0.00 C ATOM 0 H VAL A 65 -3.317 -14.343 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.372 -12.676 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.287 -14.533 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.460 -13.425 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.910 -14.350 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.912 -12.574 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.068 -12.391 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.355 -11.450 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.291 -12.493 -3.305 1.00 0.00 H new ATOM 1017 N GLY A 66 -7.248 -14.311 -3.715 1.00 0.00 N ATOM 1018 CA GLY A 66 -8.392 -15.258 -3.879 1.00 0.00 C ATOM 1019 C GLY A 66 -9.152 -15.752 -2.617 1.00 0.00 C ATOM 1020 O GLY A 66 -10.218 -16.341 -2.789 1.00 0.00 O ATOM 0 H GLY A 66 -7.520 -13.328 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.120 -14.782 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.018 -16.138 -4.402 1.00 0.00 H new ATOM 1024 N GLU A 67 -8.626 -15.559 -1.392 1.00 0.00 N ATOM 1025 CA GLU A 67 -9.352 -15.869 -0.119 1.00 0.00 C ATOM 1026 C GLU A 67 -9.182 -14.707 0.921 1.00 0.00 C ATOM 1027 O GLU A 67 -8.208 -13.950 0.881 1.00 0.00 O ATOM 1028 CB GLU A 67 -8.868 -17.233 0.458 1.00 0.00 C ATOM 1029 CG GLU A 67 -9.465 -18.500 -0.213 1.00 0.00 C ATOM 1030 CD GLU A 67 -10.938 -18.804 0.045 1.00 0.00 C ATOM 1031 OE1 GLU A 67 -11.639 -18.034 0.737 1.00 0.00 O ATOM 1032 OE2 GLU A 67 -11.392 -19.849 -0.463 1.00 0.00 O ATOM 0 H GLU A 67 -7.689 -15.185 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.417 -15.954 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.782 -17.277 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.106 -17.261 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.324 -18.409 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.881 -19.361 0.114 1.00 0.00 H new ATOM 1039 N GLU A 68 -10.132 -14.559 1.867 1.00 0.00 N ATOM 1040 CA GLU A 68 -10.141 -13.446 2.866 1.00 0.00 C ATOM 1041 C GLU A 68 -8.820 -13.166 3.675 1.00 0.00 C ATOM 1042 O GLU A 68 -8.192 -14.078 4.220 1.00 0.00 O ATOM 1043 CB GLU A 68 -11.376 -13.567 3.800 1.00 0.00 C ATOM 1044 CG GLU A 68 -11.420 -14.797 4.747 1.00 0.00 C ATOM 1045 CD GLU A 68 -11.903 -14.523 6.163 1.00 0.00 C ATOM 1046 OE1 GLU A 68 -13.058 -14.093 6.361 1.00 0.00 O ATOM 1047 OE2 GLU A 68 -11.108 -14.689 7.112 1.00 0.00 O ATOM 0 H GLU A 68 -10.918 -15.201 1.968 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.210 -12.553 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.429 -12.666 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.271 -13.584 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.068 -15.552 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.420 -15.227 4.801 1.00 0.00 H new ATOM 1054 N CYS A 69 -8.416 -11.882 3.741 1.00 0.00 N ATOM 1055 CA CYS A 69 -7.188 -11.454 4.461 1.00 0.00 C ATOM 1056 C CYS A 69 -7.344 -10.066 5.146 1.00 0.00 C ATOM 1057 O CYS A 69 -7.639 -9.046 4.514 1.00 0.00 O ATOM 1058 CB CYS A 69 -5.972 -11.465 3.522 1.00 0.00 C ATOM 1059 SG CYS A 69 -6.325 -10.697 1.900 1.00 0.00 S ATOM 0 H CYS A 69 -8.923 -11.114 3.302 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.024 -12.180 5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.146 -10.936 3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.646 -12.494 3.369 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.997 -9.598 2.077 1.00 0.00 H new ATOM 1065 N GLU A 70 -7.093 -10.061 6.460 1.00 0.00 N ATOM 1066 CA GLU A 70 -7.204 -8.857 7.328 1.00 0.00 C ATOM 1067 C GLU A 70 -5.926 -7.955 7.329 1.00 0.00 C ATOM 1068 O GLU A 70 -4.844 -8.375 7.754 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.702 -9.258 8.743 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.881 -10.331 9.488 1.00 0.00 C ATOM 1071 CD GLU A 70 -7.327 -10.592 10.913 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.464 -11.071 11.111 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -6.531 -10.321 11.838 1.00 0.00 O ATOM 0 H GLU A 70 -6.803 -10.897 6.968 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.962 -8.206 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.729 -8.361 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.728 -9.615 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.935 -11.264 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.835 -10.026 9.499 1.00 0.00 H new ATOM 1080 N LEU A 71 -6.071 -6.698 6.873 1.00 0.00 N ATOM 1081 CA LEU A 71 -4.953 -5.713 6.798 1.00 0.00 C ATOM 1082 C LEU A 71 -5.300 -4.413 7.592 1.00 0.00 C ATOM 1083 O LEU A 71 -6.422 -3.902 7.512 1.00 0.00 O ATOM 1084 CB LEU A 71 -4.656 -5.353 5.310 1.00 0.00 C ATOM 1085 CG LEU A 71 -4.283 -6.490 4.318 1.00 0.00 C ATOM 1086 CD1 LEU A 71 -4.014 -5.884 2.932 1.00 0.00 C ATOM 1087 CD2 LEU A 71 -3.062 -7.315 4.757 1.00 0.00 C ATOM 0 H LEU A 71 -6.962 -6.327 6.544 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.070 -6.168 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.535 -4.845 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.840 -4.630 5.303 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.131 -7.175 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.752 -6.678 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.909 -5.371 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.190 -5.173 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.861 -8.089 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.194 -6.662 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.265 -7.779 5.722 1.00 0.00 H new ATOM 1099 N GLU A 72 -4.335 -3.843 8.339 1.00 0.00 N ATOM 1100 CA GLU A 72 -4.544 -2.562 9.083 1.00 0.00 C ATOM 1101 C GLU A 72 -4.717 -1.325 8.132 1.00 0.00 C ATOM 1102 O GLU A 72 -4.020 -1.150 7.128 1.00 0.00 O ATOM 1103 CB GLU A 72 -3.340 -2.384 10.050 1.00 0.00 C ATOM 1104 CG GLU A 72 -3.500 -1.240 11.087 1.00 0.00 C ATOM 1105 CD GLU A 72 -2.238 -0.894 11.852 1.00 0.00 C ATOM 1106 OE1 GLU A 72 -1.464 -0.026 11.390 1.00 0.00 O ATOM 1107 OE2 GLU A 72 -2.023 -1.419 12.965 1.00 0.00 O ATOM 0 H GLU A 72 -3.402 -4.239 8.450 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.478 -2.616 9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.180 -3.320 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.443 -2.197 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.851 -0.347 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.275 -1.521 11.800 1.00 0.00 H new ATOM 1114 N THR A 73 -5.682 -0.478 8.495 1.00 0.00 N ATOM 1115 CA THR A 73 -6.027 0.778 7.772 1.00 0.00 C ATOM 1116 C THR A 73 -5.587 2.046 8.572 1.00 0.00 C ATOM 1117 O THR A 73 -5.356 2.022 9.785 1.00 0.00 O ATOM 1118 CB THR A 73 -7.557 0.757 7.426 1.00 0.00 C ATOM 1119 OG1 THR A 73 -7.998 1.990 6.862 1.00 0.00 O ATOM 1120 CG2 THR A 73 -8.521 0.462 8.584 1.00 0.00 C ATOM 0 H THR A 73 -6.266 -0.637 9.316 1.00 0.00 H new ATOM 0 HA THR A 73 -5.470 0.832 6.836 1.00 0.00 H new ATOM 0 HB THR A 73 -7.603 -0.075 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.687 2.385 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.547 0.476 8.216 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.298 -0.520 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.403 1.220 9.358 1.00 0.00 H new ATOM 1128 N MET A 74 -5.506 3.179 7.855 1.00 0.00 N ATOM 1129 CA MET A 74 -5.273 4.517 8.489 1.00 0.00 C ATOM 1130 C MET A 74 -6.529 4.981 9.298 1.00 0.00 C ATOM 1131 O MET A 74 -6.431 5.192 10.510 1.00 0.00 O ATOM 1132 CB MET A 74 -4.804 5.556 7.433 1.00 0.00 C ATOM 1133 CG MET A 74 -3.330 5.444 7.007 1.00 0.00 C ATOM 1134 SD MET A 74 -2.259 5.744 8.428 1.00 0.00 S ATOM 1135 CE MET A 74 -1.525 4.115 8.636 1.00 0.00 C ATOM 0 H MET A 74 -5.596 3.211 6.839 1.00 0.00 H new ATOM 0 HA MET A 74 -4.462 4.427 9.212 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.430 5.455 6.546 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.975 6.556 7.831 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.135 4.454 6.596 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.114 6.165 6.218 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.834 4.132 9.479 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.311 3.383 8.825 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.985 3.841 7.730 1.00 0.00 H new ATOM 1145 N THR A 75 -7.699 5.115 8.643 1.00 0.00 N ATOM 1146 CA THR A 75 -8.994 5.347 9.339 1.00 0.00 C ATOM 1147 C THR A 75 -9.698 3.953 9.435 1.00 0.00 C ATOM 1148 O THR A 75 -9.951 3.288 8.418 1.00 0.00 O ATOM 1149 CB THR A 75 -9.872 6.398 8.604 1.00 0.00 C ATOM 1150 OG1 THR A 75 -9.154 7.616 8.430 1.00 0.00 O ATOM 1151 CG2 THR A 75 -11.163 6.779 9.349 1.00 0.00 C ATOM 0 H THR A 75 -7.780 5.067 7.627 1.00 0.00 H new ATOM 0 HA THR A 75 -8.830 5.766 10.332 1.00 0.00 H new ATOM 0 HB THR A 75 -10.131 5.916 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.766 8.374 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.715 7.517 8.767 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.779 5.891 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.911 7.200 10.322 1.00 0.00 H new ATOM 1159 N GLY A 76 -9.980 3.514 10.668 1.00 0.00 N ATOM 1160 CA GLY A 76 -10.690 2.235 10.928 1.00 0.00 C ATOM 1161 C GLY A 76 -10.108 1.329 12.028 1.00 0.00 C ATOM 1162 O GLY A 76 -10.149 1.687 13.207 1.00 0.00 O ATOM 0 H GLY A 76 -9.729 4.024 11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.722 2.467 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.717 1.666 9.998 1.00 0.00 H new ATOM 1166 N GLU A 77 -9.628 0.134 11.639 1.00 0.00 N ATOM 1167 CA GLU A 77 -9.273 -0.961 12.579 1.00 0.00 C ATOM 1168 C GLU A 77 -8.418 -2.030 11.825 1.00 0.00 C ATOM 1169 O GLU A 77 -7.186 -2.027 11.893 1.00 0.00 O ATOM 1170 CB GLU A 77 -10.521 -1.484 13.372 1.00 0.00 C ATOM 1171 CG GLU A 77 -11.721 -2.159 12.645 1.00 0.00 C ATOM 1172 CD GLU A 77 -12.335 -1.467 11.430 1.00 0.00 C ATOM 1173 OE1 GLU A 77 -11.879 -1.712 10.290 1.00 0.00 O ATOM 1174 OE2 GLU A 77 -13.279 -0.665 11.583 1.00 0.00 O ATOM 0 H GLU A 77 -9.472 -0.107 10.660 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.632 -0.592 13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.152 -2.200 14.107 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.923 -0.636 13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.399 -3.152 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.514 -2.299 13.380 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.085 -2.925 11.082 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.459 -4.010 10.296 1.00 0.00 C ATOM 1183 C LYS A 78 -9.495 -4.494 9.238 1.00 0.00 C ATOM 1184 O LYS A 78 -10.537 -5.066 9.574 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.963 -5.154 11.230 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.633 -5.755 10.748 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.142 -6.900 11.651 1.00 0.00 C ATOM 1188 CE LYS A 78 -4.788 -7.468 11.192 1.00 0.00 C ATOM 1189 NZ LYS A 78 -4.499 -8.708 11.956 1.00 0.00 N ATOM 0 H LYS A 78 -10.102 -2.918 11.006 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.571 -3.651 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.841 -4.768 12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.719 -5.938 11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.753 -6.126 9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.875 -4.972 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.053 -6.539 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.884 -7.698 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.812 -7.681 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.998 -6.734 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.870 -9.320 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.036 -8.462 12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.388 -9.211 12.151 1.00 0.00 H new ATOM 1203 N VAL A 79 -9.203 -4.248 7.955 1.00 0.00 N ATOM 1204 CA VAL A 79 -10.137 -4.541 6.834 1.00 0.00 C ATOM 1205 C VAL A 79 -9.855 -5.913 6.148 1.00 0.00 C ATOM 1206 O VAL A 79 -8.721 -6.193 5.744 1.00 0.00 O ATOM 1207 CB VAL A 79 -10.110 -3.314 5.859 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -8.813 -3.090 5.050 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -11.295 -3.315 4.877 1.00 0.00 C ATOM 0 H VAL A 79 -8.318 -3.841 7.653 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.151 -4.664 7.213 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.178 -2.483 6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.927 -2.211 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.979 -2.938 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.617 -3.963 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.228 -2.444 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.267 -4.223 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.230 -3.279 5.435 1.00 0.00 H new ATOM 1219 N LYS A 80 -10.898 -6.755 5.984 1.00 0.00 N ATOM 1220 CA LYS A 80 -10.778 -8.032 5.220 1.00 0.00 C ATOM 1221 C LYS A 80 -10.953 -7.737 3.694 1.00 0.00 C ATOM 1222 O LYS A 80 -12.056 -7.740 3.141 1.00 0.00 O ATOM 1223 CB LYS A 80 -11.705 -9.135 5.799 1.00 0.00 C ATOM 1224 CG LYS A 80 -11.146 -9.756 7.104 1.00 0.00 C ATOM 1225 CD LYS A 80 -11.870 -11.034 7.560 1.00 0.00 C ATOM 1226 CE LYS A 80 -11.192 -11.678 8.789 1.00 0.00 C ATOM 1227 NZ LYS A 80 -11.774 -13.027 9.009 1.00 0.00 N ATOM 0 H LYS A 80 -11.829 -6.582 6.364 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.780 -8.454 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.690 -8.711 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.838 -9.920 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.090 -9.983 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.207 -9.014 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.906 -10.797 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.890 -11.752 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.116 -11.753 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.341 -11.055 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.698 -13.278 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.775 -13.023 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.257 -13.726 8.438 1.00 0.00 H new ATOM 1241 N THR A 81 -9.814 -7.451 3.047 1.00 0.00 N ATOM 1242 CA THR A 81 -9.728 -6.997 1.634 1.00 0.00 C ATOM 1243 C THR A 81 -9.027 -8.090 0.772 1.00 0.00 C ATOM 1244 O THR A 81 -7.803 -8.250 0.823 1.00 0.00 O ATOM 1245 CB THR A 81 -9.014 -5.602 1.635 1.00 0.00 C ATOM 1246 OG1 THR A 81 -9.030 -4.998 0.349 1.00 0.00 O ATOM 1247 CG2 THR A 81 -7.555 -5.572 2.131 1.00 0.00 C ATOM 0 H THR A 81 -8.900 -7.528 3.494 1.00 0.00 H new ATOM 0 HA THR A 81 -10.707 -6.862 1.174 1.00 0.00 H new ATOM 0 HB THR A 81 -9.610 -5.048 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.617 -5.603 -0.302 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.175 -4.551 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.513 -5.926 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.943 -6.217 1.501 1.00 0.00 H new ATOM 1255 N VAL A 82 -9.789 -8.860 -0.029 1.00 0.00 N ATOM 1256 CA VAL A 82 -9.182 -9.897 -0.922 1.00 0.00 C ATOM 1257 C VAL A 82 -8.619 -9.239 -2.222 1.00 0.00 C ATOM 1258 O VAL A 82 -9.227 -8.337 -2.814 1.00 0.00 O ATOM 1259 CB VAL A 82 -10.075 -11.160 -1.139 1.00 0.00 C ATOM 1260 CG1 VAL A 82 -11.268 -11.043 -2.099 1.00 0.00 C ATOM 1261 CG2 VAL A 82 -9.250 -12.329 -1.691 1.00 0.00 C ATOM 0 H VAL A 82 -10.805 -8.796 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.324 -10.322 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.470 -11.306 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.792 -11.998 -2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.950 -10.273 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.910 -10.775 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.896 -13.195 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.810 -12.044 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.457 -12.579 -0.986 1.00 0.00 H new ATOM 1271 N VAL A 83 -7.425 -9.678 -2.631 1.00 0.00 N ATOM 1272 CA VAL A 83 -6.689 -9.078 -3.776 1.00 0.00 C ATOM 1273 C VAL A 83 -6.745 -10.042 -5.007 1.00 0.00 C ATOM 1274 O VAL A 83 -6.507 -11.246 -4.878 1.00 0.00 O ATOM 1275 CB VAL A 83 -5.232 -8.693 -3.326 1.00 0.00 C ATOM 1276 CG1 VAL A 83 -4.552 -7.776 -4.358 1.00 0.00 C ATOM 1277 CG2 VAL A 83 -5.090 -7.978 -1.951 1.00 0.00 C ATOM 0 H VAL A 83 -6.933 -10.454 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.163 -8.151 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.758 -9.670 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.547 -7.528 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.494 -8.289 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.133 -6.861 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.038 -7.767 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.651 -7.043 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.482 -8.622 -1.164 1.00 0.00 H new ATOM 1287 N GLN A 84 -7.077 -9.516 -6.199 1.00 0.00 N ATOM 1288 CA GLN A 84 -7.094 -10.303 -7.469 1.00 0.00 C ATOM 1289 C GLN A 84 -5.863 -9.906 -8.343 1.00 0.00 C ATOM 1290 O GLN A 84 -5.531 -8.725 -8.490 1.00 0.00 O ATOM 1291 CB GLN A 84 -8.430 -10.088 -8.231 1.00 0.00 C ATOM 1292 CG GLN A 84 -9.635 -10.973 -7.812 1.00 0.00 C ATOM 1293 CD GLN A 84 -10.133 -10.841 -6.367 1.00 0.00 C ATOM 1294 OE1 GLN A 84 -10.746 -9.856 -5.970 1.00 0.00 O ATOM 1295 NE2 GLN A 84 -9.901 -11.832 -5.541 1.00 0.00 N ATOM 0 H GLN A 84 -7.342 -8.539 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.024 -11.366 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.721 -9.044 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.244 -10.251 -9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.468 -10.747 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.364 -12.015 -7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.392 -12.655 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.230 -11.780 -4.577 1.00 0.00 H new ATOM 1304 N LEU A 85 -5.207 -10.913 -8.939 1.00 0.00 N ATOM 1305 CA LEU A 85 -3.963 -10.733 -9.726 1.00 0.00 C ATOM 1306 C LEU A 85 -4.157 -10.983 -11.257 1.00 0.00 C ATOM 1307 O LEU A 85 -4.624 -12.052 -11.667 1.00 0.00 O ATOM 1308 CB LEU A 85 -2.926 -11.709 -9.091 1.00 0.00 C ATOM 1309 CG LEU A 85 -1.519 -11.754 -9.734 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -0.800 -10.393 -9.722 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -0.642 -12.808 -9.039 1.00 0.00 C ATOM 0 H LEU A 85 -5.521 -11.882 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.623 -9.698 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.810 -11.443 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.345 -12.715 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.672 -12.026 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.180 -10.495 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.391 -9.664 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.680 -10.054 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.344 -12.826 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.540 -12.558 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.107 -13.789 -9.136 1.00 0.00 H new ATOM 1323 N GLU A 86 -3.735 -10.013 -12.087 1.00 0.00 N ATOM 1324 CA GLU A 86 -3.697 -10.160 -13.570 1.00 0.00 C ATOM 1325 C GLU A 86 -2.203 -10.154 -14.052 1.00 0.00 C ATOM 1326 O GLU A 86 -1.406 -9.268 -13.716 1.00 0.00 O ATOM 1327 CB GLU A 86 -4.524 -9.030 -14.232 1.00 0.00 C ATOM 1328 CG GLU A 86 -4.776 -9.164 -15.757 1.00 0.00 C ATOM 1329 CD GLU A 86 -5.359 -7.909 -16.394 1.00 0.00 C ATOM 1330 OE1 GLU A 86 -6.586 -7.703 -16.300 1.00 0.00 O ATOM 1331 OE2 GLU A 86 -4.590 -7.128 -16.996 1.00 0.00 O ATOM 0 H GLU A 86 -3.409 -9.104 -11.759 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.144 -11.109 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.490 -8.974 -13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.015 -8.083 -14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.836 -9.409 -16.251 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.455 -9.999 -15.932 1.00 0.00 H new ATOM 1338 N GLY A 87 -1.844 -11.187 -14.834 1.00 0.00 N ATOM 1339 CA GLY A 87 -0.489 -11.334 -15.459 1.00 0.00 C ATOM 1340 C GLY A 87 0.819 -11.292 -14.633 1.00 0.00 C ATOM 1341 O GLY A 87 1.864 -10.913 -15.162 1.00 0.00 O ATOM 0 H GLY A 87 -2.478 -11.954 -15.060 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.492 -12.287 -15.989 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.407 -10.550 -16.212 1.00 0.00 H new ATOM 1345 N ASP A 88 0.745 -11.679 -13.357 1.00 0.00 N ATOM 1346 CA ASP A 88 1.863 -11.536 -12.366 1.00 0.00 C ATOM 1347 C ASP A 88 2.397 -10.064 -12.121 1.00 0.00 C ATOM 1348 O ASP A 88 3.528 -9.861 -11.671 1.00 0.00 O ATOM 1349 CB ASP A 88 2.944 -12.638 -12.572 1.00 0.00 C ATOM 1350 CG ASP A 88 3.825 -12.947 -11.351 1.00 0.00 C ATOM 1351 OD1 ASP A 88 3.300 -13.020 -10.217 1.00 0.00 O ATOM 1352 OD2 ASP A 88 5.046 -13.140 -11.526 1.00 0.00 O ATOM 0 H ASP A 88 -0.092 -12.106 -12.960 1.00 0.00 H new ATOM 0 HA ASP A 88 1.424 -11.729 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.445 -13.557 -12.878 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.591 -12.337 -13.396 1.00 0.00 H new ATOM 1357 N ASN A 89 1.564 -9.025 -12.360 1.00 0.00 N ATOM 1358 CA ASN A 89 1.950 -7.599 -12.156 1.00 0.00 C ATOM 1359 C ASN A 89 0.827 -6.635 -11.648 1.00 0.00 C ATOM 1360 O ASN A 89 1.174 -5.648 -10.999 1.00 0.00 O ATOM 1361 CB ASN A 89 2.735 -7.049 -13.379 1.00 0.00 C ATOM 1362 CG ASN A 89 1.948 -6.510 -14.585 1.00 0.00 C ATOM 1363 OD1 ASN A 89 0.987 -7.094 -15.073 1.00 0.00 O ATOM 1364 ND2 ASN A 89 2.326 -5.359 -15.092 1.00 0.00 N ATOM 0 H ASN A 89 0.609 -9.144 -12.698 1.00 0.00 H new ATOM 0 HA ASN A 89 2.624 -7.619 -11.299 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.382 -6.247 -13.022 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.385 -7.846 -13.739 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.821 -4.960 -15.884 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.124 -4.864 -14.694 1.00 0.00 H new ATOM 1371 N LYS A 90 -0.469 -6.860 -11.936 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.571 -5.947 -11.512 1.00 0.00 C ATOM 1373 C LYS A 90 -2.392 -6.572 -10.340 1.00 0.00 C ATOM 1374 O LYS A 90 -3.128 -7.543 -10.538 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.503 -5.689 -12.726 1.00 0.00 C ATOM 1376 CG LYS A 90 -1.916 -4.939 -13.944 1.00 0.00 C ATOM 1377 CD LYS A 90 -2.809 -5.130 -15.189 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.246 -4.579 -16.510 1.00 0.00 C ATOM 1379 NZ LYS A 90 -2.307 -3.092 -16.558 1.00 0.00 N ATOM 0 H LYS A 90 -0.790 -7.671 -12.465 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.141 -5.009 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.873 -6.653 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.366 -5.126 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.827 -3.877 -13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.911 -5.305 -14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.001 -6.196 -15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.771 -4.653 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.213 -4.905 -16.629 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.809 -4.993 -17.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.215 -2.772 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.218 -2.769 -16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.531 -2.694 -15.991 1.00 0.00 H new ATOM 1393 N LEU A 91 -2.288 -5.998 -9.133 1.00 0.00 N ATOM 1394 CA LEU A 91 -3.047 -6.457 -7.934 1.00 0.00 C ATOM 1395 C LEU A 91 -4.213 -5.465 -7.621 1.00 0.00 C ATOM 1396 O LEU A 91 -3.969 -4.295 -7.310 1.00 0.00 O ATOM 1397 CB LEU A 91 -2.072 -6.542 -6.732 1.00 0.00 C ATOM 1398 CG LEU A 91 -1.103 -7.747 -6.666 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -0.073 -7.482 -5.559 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -1.803 -9.087 -6.377 1.00 0.00 C ATOM 0 H LEU A 91 -1.678 -5.201 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.480 -7.439 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.473 -5.631 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.667 -6.542 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.638 -7.838 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.619 -8.322 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.481 -6.571 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.587 -7.365 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.062 -9.885 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.316 -9.030 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.528 -9.296 -7.164 1.00 0.00 H new ATOM 1412 N VAL A 92 -5.473 -5.930 -7.665 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.672 -5.060 -7.441 1.00 0.00 C ATOM 1414 C VAL A 92 -7.492 -5.505 -6.182 1.00 0.00 C ATOM 1415 O VAL A 92 -7.843 -6.683 -6.054 1.00 0.00 O ATOM 1416 CB VAL A 92 -7.554 -4.941 -8.737 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -6.810 -4.287 -9.925 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -8.210 -6.249 -9.240 1.00 0.00 C ATOM 0 H VAL A 92 -5.703 -6.906 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.310 -4.055 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.358 -4.293 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.475 -4.235 -10.787 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.496 -3.281 -9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.934 -4.884 -10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.792 -6.042 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.435 -6.980 -9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.866 -6.648 -8.466 1.00 0.00 H new ATOM 1428 N THR A 93 -7.824 -4.573 -5.258 1.00 0.00 N ATOM 1429 CA THR A 93 -8.648 -4.891 -4.045 1.00 0.00 C ATOM 1430 C THR A 93 -9.678 -3.767 -3.675 1.00 0.00 C ATOM 1431 O THR A 93 -9.672 -2.650 -4.210 1.00 0.00 O ATOM 1432 CB THR A 93 -7.748 -5.373 -2.858 1.00 0.00 C ATOM 1433 OG1 THR A 93 -8.533 -6.096 -1.914 1.00 0.00 O ATOM 1434 CG2 THR A 93 -6.962 -4.307 -2.073 1.00 0.00 C ATOM 0 H THR A 93 -7.540 -3.595 -5.320 1.00 0.00 H new ATOM 0 HA THR A 93 -9.286 -5.738 -4.298 1.00 0.00 H new ATOM 0 HB THR A 93 -6.995 -5.976 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.070 -6.769 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.385 -4.788 -1.283 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.286 -3.783 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.658 -3.594 -1.631 1.00 0.00 H new ATOM 1442 N THR A 94 -10.624 -4.119 -2.788 1.00 0.00 N ATOM 1443 CA THR A 94 -11.668 -3.193 -2.254 1.00 0.00 C ATOM 1444 C THR A 94 -11.372 -3.013 -0.730 1.00 0.00 C ATOM 1445 O THR A 94 -11.675 -3.895 0.080 1.00 0.00 O ATOM 1446 CB THR A 94 -13.095 -3.766 -2.530 1.00 0.00 C ATOM 1447 OG1 THR A 94 -13.310 -4.018 -3.916 1.00 0.00 O ATOM 1448 CG2 THR A 94 -14.237 -2.830 -2.100 1.00 0.00 C ATOM 0 H THR A 94 -10.696 -5.063 -2.410 1.00 0.00 H new ATOM 0 HA THR A 94 -11.640 -2.221 -2.746 1.00 0.00 H new ATOM 0 HB THR A 94 -13.118 -4.681 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.908 -3.334 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.195 -3.298 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 94 -14.168 -2.640 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.158 -1.887 -2.642 1.00 0.00 H new ATOM 1456 N PHE A 95 -10.782 -1.868 -0.348 1.00 0.00 N ATOM 1457 CA PHE A 95 -10.346 -1.599 1.054 1.00 0.00 C ATOM 1458 C PHE A 95 -11.519 -0.968 1.903 1.00 0.00 C ATOM 1459 O PHE A 95 -12.650 -1.463 1.853 1.00 0.00 O ATOM 1460 CB PHE A 95 -9.036 -0.765 0.858 1.00 0.00 C ATOM 1461 CG PHE A 95 -7.979 -0.830 1.963 1.00 0.00 C ATOM 1462 CD1 PHE A 95 -7.086 -1.903 1.973 1.00 0.00 C ATOM 1463 CD2 PHE A 95 -7.836 0.190 2.910 1.00 0.00 C ATOM 1464 CE1 PHE A 95 -6.112 -1.999 2.963 1.00 0.00 C ATOM 1465 CE2 PHE A 95 -6.848 0.103 3.887 1.00 0.00 C ATOM 1466 CZ PHE A 95 -5.998 -1.000 3.926 1.00 0.00 C ATOM 0 H PHE A 95 -10.590 -1.099 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.116 -2.472 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.569 -1.088 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.320 0.279 0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.151 -2.663 1.208 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.493 1.046 2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.445 -2.848 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.740 0.892 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.251 -1.080 4.702 1.00 0.00 H new ATOM 1476 N LYS A 96 -11.296 0.101 2.698 1.00 0.00 N ATOM 1477 CA LYS A 96 -12.389 0.816 3.436 1.00 0.00 C ATOM 1478 C LYS A 96 -13.043 1.856 2.460 1.00 0.00 C ATOM 1479 O LYS A 96 -12.714 3.046 2.485 1.00 0.00 O ATOM 1480 CB LYS A 96 -11.818 1.508 4.711 1.00 0.00 C ATOM 1481 CG LYS A 96 -11.186 0.633 5.820 1.00 0.00 C ATOM 1482 CD LYS A 96 -12.141 -0.171 6.734 1.00 0.00 C ATOM 1483 CE LYS A 96 -12.948 0.668 7.743 1.00 0.00 C ATOM 1484 NZ LYS A 96 -13.534 -0.230 8.778 1.00 0.00 N ATOM 0 H LYS A 96 -10.369 0.498 2.853 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.149 0.109 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.063 2.224 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.627 2.081 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.505 -0.072 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.581 1.281 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.839 -0.724 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.556 -0.908 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.303 1.410 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.739 1.213 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.717 0.313 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.427 -0.630 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.868 -1.001 8.986 1.00 0.00 H new ATOM 1498 N ASN A 97 -13.933 1.395 1.554 1.00 0.00 N ATOM 1499 CA ASN A 97 -14.513 2.222 0.452 1.00 0.00 C ATOM 1500 C ASN A 97 -13.470 2.888 -0.536 1.00 0.00 C ATOM 1501 O ASN A 97 -13.697 3.974 -1.075 1.00 0.00 O ATOM 1502 CB ASN A 97 -15.595 3.184 1.016 1.00 0.00 C ATOM 1503 CG ASN A 97 -16.787 2.545 1.744 1.00 0.00 C ATOM 1504 OD1 ASN A 97 -16.750 2.278 2.940 1.00 0.00 O ATOM 1505 ND2 ASN A 97 -17.874 2.273 1.063 1.00 0.00 N ATOM 0 H ASN A 97 -14.276 0.435 1.559 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.012 1.529 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.108 3.874 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.983 3.779 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.674 1.845 1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.920 2.489 0.067 1.00 0.00 H new ATOM 1512 N ILE A 98 -12.343 2.197 -0.796 1.00 0.00 N ATOM 1513 CA ILE A 98 -11.211 2.695 -1.635 1.00 0.00 C ATOM 1514 C ILE A 98 -10.835 1.533 -2.616 1.00 0.00 C ATOM 1515 O ILE A 98 -10.596 0.394 -2.187 1.00 0.00 O ATOM 1516 CB ILE A 98 -9.977 3.088 -0.732 1.00 0.00 C ATOM 1517 CG1 ILE A 98 -10.239 4.164 0.369 1.00 0.00 C ATOM 1518 CG2 ILE A 98 -8.734 3.536 -1.547 1.00 0.00 C ATOM 1519 CD1 ILE A 98 -9.523 3.877 1.702 1.00 0.00 C ATOM 0 H ILE A 98 -12.181 1.260 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.498 3.591 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.784 2.143 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.918 5.137 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.312 4.231 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.924 3.791 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.415 2.724 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.989 4.408 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.753 4.668 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -9.862 2.920 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.446 3.840 1.536 1.00 0.00 H new ATOM 1531 N LYS A 99 -10.735 1.816 -3.927 1.00 0.00 N ATOM 1532 CA LYS A 99 -10.273 0.806 -4.918 1.00 0.00 C ATOM 1533 C LYS A 99 -8.717 0.913 -5.063 1.00 0.00 C ATOM 1534 O LYS A 99 -8.194 1.823 -5.721 1.00 0.00 O ATOM 1535 CB LYS A 99 -11.075 0.974 -6.234 1.00 0.00 C ATOM 1536 CG LYS A 99 -10.833 -0.140 -7.292 1.00 0.00 C ATOM 1537 CD LYS A 99 -12.077 -0.981 -7.666 1.00 0.00 C ATOM 1538 CE LYS A 99 -12.744 -1.793 -6.535 1.00 0.00 C ATOM 1539 NZ LYS A 99 -11.886 -2.910 -6.057 1.00 0.00 N ATOM 0 H LYS A 99 -10.964 2.725 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.471 -0.214 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.138 1.003 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.822 1.937 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.442 0.322 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.060 -0.812 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.825 -0.309 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.791 -1.675 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.971 -1.130 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.693 -2.194 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.421 -3.496 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.592 -3.493 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.044 -2.523 -5.585 1.00 0.00 H new ATOM 1553 N SER A 100 -7.994 -0.019 -4.414 1.00 0.00 N ATOM 1554 CA SER A 100 -6.507 -0.045 -4.414 1.00 0.00 C ATOM 1555 C SER A 100 -5.952 -0.898 -5.591 1.00 0.00 C ATOM 1556 O SER A 100 -6.211 -2.103 -5.678 1.00 0.00 O ATOM 1557 CB SER A 100 -6.040 -0.556 -3.033 1.00 0.00 C ATOM 1558 OG SER A 100 -4.619 -0.464 -2.899 1.00 0.00 O ATOM 0 H SER A 100 -8.416 -0.775 -3.875 1.00 0.00 H new ATOM 0 HA SER A 100 -6.110 0.958 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.520 0.026 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.354 -1.591 -2.901 1.00 0.00 H new ATOM 0 HG SER A 100 -4.352 -0.792 -2.015 1.00 0.00 H new ATOM 1564 N VAL A 101 -5.184 -0.250 -6.479 1.00 0.00 N ATOM 1565 CA VAL A 101 -4.602 -0.888 -7.694 1.00 0.00 C ATOM 1566 C VAL A 101 -3.044 -0.831 -7.563 1.00 0.00 C ATOM 1567 O VAL A 101 -2.449 0.245 -7.694 1.00 0.00 O ATOM 1568 CB VAL A 101 -5.136 -0.154 -8.980 1.00 0.00 C ATOM 1569 CG1 VAL A 101 -4.501 -0.675 -10.290 1.00 0.00 C ATOM 1570 CG2 VAL A 101 -6.675 -0.204 -9.154 1.00 0.00 C ATOM 0 H VAL A 101 -4.941 0.736 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.901 -1.932 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.835 0.879 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.913 -0.127 -11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.421 -0.530 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.720 -1.737 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.956 0.326 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.000 -1.242 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.154 0.269 -8.297 1.00 0.00 H new ATOM 1580 N THR A 102 -2.377 -1.974 -7.327 1.00 0.00 N ATOM 1581 CA THR A 102 -0.887 -2.032 -7.228 1.00 0.00 C ATOM 1582 C THR A 102 -0.300 -2.607 -8.560 1.00 0.00 C ATOM 1583 O THR A 102 -0.522 -3.790 -8.845 1.00 0.00 O ATOM 1584 CB THR A 102 -0.389 -2.829 -5.979 1.00 0.00 C ATOM 1585 OG1 THR A 102 -1.184 -2.612 -4.815 1.00 0.00 O ATOM 1586 CG2 THR A 102 1.066 -2.509 -5.610 1.00 0.00 C ATOM 0 H THR A 102 -2.836 -2.876 -7.200 1.00 0.00 H new ATOM 0 HA THR A 102 -0.519 -1.016 -7.085 1.00 0.00 H new ATOM 0 HB THR A 102 -0.475 -3.871 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.186 -1.657 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.356 -3.092 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.717 -2.761 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.159 -1.447 -5.385 1.00 0.00 H new ATOM 1594 N GLU A 103 0.434 -1.809 -9.371 1.00 0.00 N ATOM 1595 CA GLU A 103 1.023 -2.307 -10.649 1.00 0.00 C ATOM 1596 C GLU A 103 2.578 -2.379 -10.592 1.00 0.00 C ATOM 1597 O GLU A 103 3.259 -1.433 -10.182 1.00 0.00 O ATOM 1598 CB GLU A 103 0.560 -1.452 -11.854 1.00 0.00 C ATOM 1599 CG GLU A 103 0.784 -2.150 -13.224 1.00 0.00 C ATOM 1600 CD GLU A 103 0.269 -1.385 -14.425 1.00 0.00 C ATOM 1601 OE1 GLU A 103 0.959 -0.451 -14.881 1.00 0.00 O ATOM 1602 OE2 GLU A 103 -0.810 -1.744 -14.942 1.00 0.00 O ATOM 0 H GLU A 103 0.634 -0.829 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 103 0.654 -3.323 -10.788 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.499 -1.220 -11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.097 -0.503 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.852 -2.326 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.301 -3.127 -13.200 1.00 0.00 H new ATOM 1609 N LEU A 104 3.129 -3.500 -11.075 1.00 0.00 N ATOM 1610 CA LEU A 104 4.594 -3.720 -11.164 1.00 0.00 C ATOM 1611 C LEU A 104 5.060 -3.536 -12.645 1.00 0.00 C ATOM 1612 O LEU A 104 4.684 -4.308 -13.533 1.00 0.00 O ATOM 1613 CB LEU A 104 4.935 -5.122 -10.576 1.00 0.00 C ATOM 1614 CG LEU A 104 6.199 -5.192 -9.684 1.00 0.00 C ATOM 1615 CD1 LEU A 104 6.394 -6.634 -9.204 1.00 0.00 C ATOM 1616 CD2 LEU A 104 7.486 -4.726 -10.382 1.00 0.00 C ATOM 0 H LEU A 104 2.578 -4.287 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 104 5.139 -2.985 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.082 -5.467 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.058 -5.821 -11.403 1.00 0.00 H new ATOM 0 HG LEU A 104 6.027 -4.506 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.282 -6.691 -8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.522 -6.947 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.516 -7.291 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.325 -4.806 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.674 -5.352 -11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.374 -3.689 -10.698 1.00 0.00 H new ATOM 1628 N ASN A 105 5.872 -2.503 -12.921 1.00 0.00 N ATOM 1629 CA ASN A 105 6.396 -2.231 -14.293 1.00 0.00 C ATOM 1630 C ASN A 105 7.907 -2.628 -14.353 1.00 0.00 C ATOM 1631 O ASN A 105 8.800 -1.800 -14.147 1.00 0.00 O ATOM 1632 CB ASN A 105 6.092 -0.749 -14.651 1.00 0.00 C ATOM 1633 CG ASN A 105 4.645 -0.476 -15.091 1.00 0.00 C ATOM 1634 OD1 ASN A 105 4.319 -0.539 -16.270 1.00 0.00 O ATOM 1635 ND2 ASN A 105 3.744 -0.185 -14.182 1.00 0.00 N ATOM 0 H ASN A 105 6.187 -1.834 -12.219 1.00 0.00 H new ATOM 0 HA ASN A 105 5.904 -2.837 -15.054 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.317 -0.127 -13.784 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.765 -0.438 -15.450 1.00 0.00 H new ATOM 0 HD21 ASN A 105 2.778 -0.013 -14.459 1.00 0.00 H new ATOM 0 HD22 ASN A 105 4.010 -0.131 -13.199 1.00 0.00 H new ATOM 1642 N GLY A 106 8.186 -3.921 -14.620 1.00 0.00 N ATOM 1643 CA GLY A 106 9.575 -4.463 -14.635 1.00 0.00 C ATOM 1644 C GLY A 106 10.124 -4.707 -13.214 1.00 0.00 C ATOM 1645 O GLY A 106 9.817 -5.731 -12.600 1.00 0.00 O ATOM 0 H GLY A 106 7.470 -4.617 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.591 -5.399 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.229 -3.766 -15.160 1.00 0.00 H new ATOM 1649 N ASP A 107 10.910 -3.747 -12.708 1.00 0.00 N ATOM 1650 CA ASP A 107 11.395 -3.749 -11.291 1.00 0.00 C ATOM 1651 C ASP A 107 11.047 -2.424 -10.502 1.00 0.00 C ATOM 1652 O ASP A 107 11.760 -2.019 -9.575 1.00 0.00 O ATOM 1653 CB ASP A 107 12.900 -4.138 -11.269 1.00 0.00 C ATOM 1654 CG ASP A 107 13.205 -5.615 -11.544 1.00 0.00 C ATOM 1655 OD1 ASP A 107 12.627 -6.498 -10.868 1.00 0.00 O ATOM 1656 OD2 ASP A 107 14.045 -5.896 -12.422 1.00 0.00 O ATOM 0 H ASP A 107 11.234 -2.947 -13.251 1.00 0.00 H new ATOM 0 HA ASP A 107 10.848 -4.509 -10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.424 -3.533 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.311 -3.876 -10.294 1.00 0.00 H new ATOM 1661 N ILE A 108 9.917 -1.763 -10.829 1.00 0.00 N ATOM 1662 CA ILE A 108 9.392 -0.571 -10.107 1.00 0.00 C ATOM 1663 C ILE A 108 7.880 -0.834 -9.819 1.00 0.00 C ATOM 1664 O ILE A 108 7.107 -1.160 -10.729 1.00 0.00 O ATOM 1665 CB ILE A 108 9.696 0.809 -10.768 1.00 0.00 C ATOM 1666 CG1 ILE A 108 8.912 1.125 -12.064 1.00 0.00 C ATOM 1667 CG2 ILE A 108 11.205 1.078 -10.975 1.00 0.00 C ATOM 1668 CD1 ILE A 108 7.621 1.921 -11.813 1.00 0.00 C ATOM 0 H ILE A 108 9.329 -2.042 -11.614 1.00 0.00 H new ATOM 0 HA ILE A 108 9.937 -0.462 -9.169 1.00 0.00 H new ATOM 0 HB ILE A 108 9.320 1.504 -10.017 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.554 1.690 -12.740 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.663 0.191 -12.567 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.340 2.055 -11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.713 1.060 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.626 0.308 -11.621 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.119 2.109 -12.762 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.961 1.348 -11.161 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.866 2.871 -11.337 1.00 0.00 H new ATOM 1680 N ILE A 109 7.451 -0.690 -8.560 1.00 0.00 N ATOM 1681 CA ILE A 109 6.040 -0.927 -8.146 1.00 0.00 C ATOM 1682 C ILE A 109 5.289 0.409 -7.860 1.00 0.00 C ATOM 1683 O ILE A 109 5.821 1.307 -7.196 1.00 0.00 O ATOM 1684 CB ILE A 109 6.016 -1.945 -6.948 1.00 0.00 C ATOM 1685 CG1 ILE A 109 4.615 -2.586 -6.758 1.00 0.00 C ATOM 1686 CG2 ILE A 109 6.527 -1.359 -5.602 1.00 0.00 C ATOM 1687 CD1 ILE A 109 4.613 -3.852 -5.888 1.00 0.00 C ATOM 0 H ILE A 109 8.060 -0.407 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 109 5.486 -1.381 -8.968 1.00 0.00 H new ATOM 0 HB ILE A 109 6.725 -2.721 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.949 -1.849 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.205 -2.831 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.477 -2.126 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.559 -1.027 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.904 -0.512 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.596 -4.236 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.251 -4.609 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.991 -3.611 -4.894 1.00 0.00 H new ATOM 1699 N THR A 110 4.039 0.527 -8.338 1.00 0.00 N ATOM 1700 CA THR A 110 3.172 1.702 -8.038 1.00 0.00 C ATOM 1701 C THR A 110 1.903 1.267 -7.261 1.00 0.00 C ATOM 1702 O THR A 110 1.175 0.395 -7.732 1.00 0.00 O ATOM 1703 CB THR A 110 2.857 2.546 -9.311 1.00 0.00 C ATOM 1704 OG1 THR A 110 2.518 3.886 -8.947 1.00 0.00 O ATOM 1705 CG2 THR A 110 1.739 2.052 -10.236 1.00 0.00 C ATOM 0 H THR A 110 3.597 -0.172 -8.935 1.00 0.00 H new ATOM 0 HA THR A 110 3.729 2.372 -7.383 1.00 0.00 H new ATOM 0 HB THR A 110 3.784 2.456 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.522 3.971 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.633 2.737 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.987 1.057 -10.607 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.801 2.010 -9.682 1.00 0.00 H new ATOM 1713 N ASN A 111 1.611 1.884 -6.107 1.00 0.00 N ATOM 1714 CA ASN A 111 0.370 1.588 -5.336 1.00 0.00 C ATOM 1715 C ASN A 111 -0.618 2.776 -5.512 1.00 0.00 C ATOM 1716 O ASN A 111 -0.405 3.850 -4.943 1.00 0.00 O ATOM 1717 CB ASN A 111 0.718 1.270 -3.860 1.00 0.00 C ATOM 1718 CG ASN A 111 -0.441 0.592 -3.123 1.00 0.00 C ATOM 1719 OD1 ASN A 111 -0.815 -0.534 -3.430 1.00 0.00 O ATOM 1720 ND2 ASN A 111 -1.077 1.248 -2.186 1.00 0.00 N ATOM 0 H ASN A 111 2.208 2.591 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.127 0.695 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.595 0.623 -3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.983 2.193 -3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.877 0.822 -1.718 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.773 2.186 -1.924 1.00 0.00 H new ATOM 1727 N THR A 112 -1.679 2.571 -6.310 1.00 0.00 N ATOM 1728 CA THR A 112 -2.670 3.632 -6.640 1.00 0.00 C ATOM 1729 C THR A 112 -3.999 3.402 -5.850 1.00 0.00 C ATOM 1730 O THR A 112 -4.843 2.584 -6.232 1.00 0.00 O ATOM 1731 CB THR A 112 -2.862 3.665 -8.188 1.00 0.00 C ATOM 1732 OG1 THR A 112 -1.608 3.692 -8.867 1.00 0.00 O ATOM 1733 CG2 THR A 112 -3.630 4.891 -8.692 1.00 0.00 C ATOM 0 H THR A 112 -1.882 1.672 -6.747 1.00 0.00 H new ATOM 0 HA THR A 112 -2.310 4.613 -6.330 1.00 0.00 H new ATOM 0 HB THR A 112 -3.430 2.759 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.760 3.711 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.722 4.842 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 112 -4.623 4.908 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.091 5.797 -8.415 1.00 0.00 H new ATOM 1741 N MET A 113 -4.178 4.137 -4.743 1.00 0.00 N ATOM 1742 CA MET A 113 -5.412 4.081 -3.911 1.00 0.00 C ATOM 1743 C MET A 113 -6.439 5.138 -4.412 1.00 0.00 C ATOM 1744 O MET A 113 -6.323 6.341 -4.152 1.00 0.00 O ATOM 1745 CB MET A 113 -5.056 4.259 -2.415 1.00 0.00 C ATOM 1746 CG MET A 113 -4.519 2.992 -1.729 1.00 0.00 C ATOM 1747 SD MET A 113 -4.501 3.233 0.057 1.00 0.00 S ATOM 1748 CE MET A 113 -4.541 1.511 0.583 1.00 0.00 C ATOM 0 H MET A 113 -3.478 4.790 -4.390 1.00 0.00 H new ATOM 0 HA MET A 113 -5.881 3.102 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.311 5.049 -2.324 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.945 4.596 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.143 2.136 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.513 2.771 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.535 1.463 1.672 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.446 1.036 0.204 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.667 0.991 0.192 1.00 0.00 H new ATOM 1758 N THR A 114 -7.453 4.652 -5.140 1.00 0.00 N ATOM 1759 CA THR A 114 -8.489 5.512 -5.775 1.00 0.00 C ATOM 1760 C THR A 114 -9.754 5.638 -4.866 1.00 0.00 C ATOM 1761 O THR A 114 -10.500 4.675 -4.653 1.00 0.00 O ATOM 1762 CB THR A 114 -8.826 5.019 -7.219 1.00 0.00 C ATOM 1763 OG1 THR A 114 -9.359 3.701 -7.226 1.00 0.00 O ATOM 1764 CG2 THR A 114 -7.651 5.022 -8.209 1.00 0.00 C ATOM 0 H THR A 114 -7.588 3.656 -5.312 1.00 0.00 H new ATOM 0 HA THR A 114 -8.082 6.518 -5.879 1.00 0.00 H new ATOM 0 HB THR A 114 -9.558 5.756 -7.551 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.707 3.083 -6.834 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.992 4.663 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.265 6.036 -8.313 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.861 4.369 -7.838 1.00 0.00 H new ATOM 1772 N LEU A 115 -9.970 6.843 -4.313 1.00 0.00 N ATOM 1773 CA LEU A 115 -11.157 7.170 -3.473 1.00 0.00 C ATOM 1774 C LEU A 115 -12.041 8.203 -4.244 1.00 0.00 C ATOM 1775 O LEU A 115 -11.997 9.411 -3.980 1.00 0.00 O ATOM 1776 CB LEU A 115 -10.607 7.632 -2.091 1.00 0.00 C ATOM 1777 CG LEU A 115 -11.615 8.163 -1.037 1.00 0.00 C ATOM 1778 CD1 LEU A 115 -12.678 7.130 -0.627 1.00 0.00 C ATOM 1779 CD2 LEU A 115 -10.852 8.641 0.210 1.00 0.00 C ATOM 0 H LEU A 115 -9.329 7.628 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.823 6.329 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.075 6.791 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.871 8.416 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.149 8.990 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.348 7.571 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -13.252 6.831 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.189 6.256 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.561 9.014 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.290 7.809 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.164 9.440 -0.068 1.00 0.00 H new ATOM 1791 N GLY A 116 -12.832 7.715 -5.226 1.00 0.00 N ATOM 1792 CA GLY A 116 -13.685 8.582 -6.089 1.00 0.00 C ATOM 1793 C GLY A 116 -12.891 9.503 -7.042 1.00 0.00 C ATOM 1794 O GLY A 116 -12.478 9.091 -8.128 1.00 0.00 O ATOM 0 H GLY A 116 -12.901 6.721 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -14.346 7.949 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.320 9.198 -5.452 1.00 0.00 H new ATOM 1798 N ASP A 117 -12.683 10.741 -6.586 1.00 0.00 N ATOM 1799 CA ASP A 117 -11.836 11.753 -7.289 1.00 0.00 C ATOM 1800 C ASP A 117 -10.337 11.772 -6.803 1.00 0.00 C ATOM 1801 O ASP A 117 -9.446 12.160 -7.564 1.00 0.00 O ATOM 1802 CB ASP A 117 -12.477 13.156 -7.107 1.00 0.00 C ATOM 1803 CG ASP A 117 -13.824 13.365 -7.799 1.00 0.00 C ATOM 1804 OD1 ASP A 117 -13.841 13.584 -9.028 1.00 0.00 O ATOM 1805 OD2 ASP A 117 -14.867 13.315 -7.111 1.00 0.00 O ATOM 0 H ASP A 117 -13.091 11.087 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 117 -11.803 11.473 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.605 13.341 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.778 13.905 -7.479 1.00 0.00 H new ATOM 1810 N ILE A 118 -10.047 11.369 -5.548 1.00 0.00 N ATOM 1811 CA ILE A 118 -8.680 11.363 -4.963 1.00 0.00 C ATOM 1812 C ILE A 118 -7.883 10.109 -5.469 1.00 0.00 C ATOM 1813 O ILE A 118 -8.287 8.966 -5.228 1.00 0.00 O ATOM 1814 CB ILE A 118 -8.765 11.366 -3.394 1.00 0.00 C ATOM 1815 CG1 ILE A 118 -9.710 12.392 -2.691 1.00 0.00 C ATOM 1816 CG2 ILE A 118 -7.354 11.441 -2.757 1.00 0.00 C ATOM 1817 CD1 ILE A 118 -9.292 13.871 -2.699 1.00 0.00 C ATOM 0 H ILE A 118 -10.761 11.034 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.152 12.261 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.254 10.410 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -10.692 12.319 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.828 12.082 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.445 11.441 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.766 10.579 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.857 12.356 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.042 14.464 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.330 13.980 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.207 14.220 -3.728 1.00 0.00 H new ATOM 1829 N VAL A 119 -6.719 10.330 -6.100 1.00 0.00 N ATOM 1830 CA VAL A 119 -5.862 9.224 -6.628 1.00 0.00 C ATOM 1831 C VAL A 119 -4.516 9.220 -5.825 1.00 0.00 C ATOM 1832 O VAL A 119 -3.545 9.864 -6.231 1.00 0.00 O ATOM 1833 CB VAL A 119 -5.712 9.370 -8.187 1.00 0.00 C ATOM 1834 CG1 VAL A 119 -4.821 8.277 -8.817 1.00 0.00 C ATOM 1835 CG2 VAL A 119 -7.055 9.341 -8.962 1.00 0.00 C ATOM 0 H VAL A 119 -6.338 11.262 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 119 -6.313 8.243 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 119 -5.251 10.353 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.758 8.435 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.822 8.328 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.253 7.296 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.861 9.447 -10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.561 8.393 -8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -7.688 10.162 -8.624 1.00 0.00 H new ATOM 1845 N PHE A 120 -4.438 8.505 -4.682 1.00 0.00 N ATOM 1846 CA PHE A 120 -3.183 8.413 -3.875 1.00 0.00 C ATOM 1847 C PHE A 120 -2.183 7.405 -4.523 1.00 0.00 C ATOM 1848 O PHE A 120 -2.320 6.190 -4.361 1.00 0.00 O ATOM 1849 CB PHE A 120 -3.537 8.124 -2.385 1.00 0.00 C ATOM 1850 CG PHE A 120 -2.372 7.762 -1.432 1.00 0.00 C ATOM 1851 CD1 PHE A 120 -1.166 8.473 -1.467 1.00 0.00 C ATOM 1852 CD2 PHE A 120 -2.476 6.642 -0.598 1.00 0.00 C ATOM 1853 CE1 PHE A 120 -0.069 8.032 -0.738 1.00 0.00 C ATOM 1854 CE2 PHE A 120 -1.377 6.208 0.140 1.00 0.00 C ATOM 1855 CZ PHE A 120 -0.172 6.901 0.066 1.00 0.00 C ATOM 0 H PHE A 120 -5.221 7.982 -4.291 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.655 9.367 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.041 9.003 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.257 7.306 -2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.088 9.369 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.414 6.111 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.867 8.568 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.460 5.334 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.682 6.561 0.632 1.00 0.00 H new ATOM 1865 N LYS A 121 -1.166 7.932 -5.224 1.00 0.00 N ATOM 1866 CA LYS A 121 -0.199 7.091 -5.975 1.00 0.00 C ATOM 1867 C LYS A 121 1.248 7.097 -5.390 1.00 0.00 C ATOM 1868 O LYS A 121 1.963 8.101 -5.451 1.00 0.00 O ATOM 1869 CB LYS A 121 -0.254 7.544 -7.458 1.00 0.00 C ATOM 1870 CG LYS A 121 0.452 6.593 -8.449 1.00 0.00 C ATOM 1871 CD LYS A 121 0.340 7.111 -9.893 1.00 0.00 C ATOM 1872 CE LYS A 121 1.028 6.171 -10.895 1.00 0.00 C ATOM 1873 NZ LYS A 121 0.894 6.748 -12.259 1.00 0.00 N ATOM 0 H LYS A 121 -0.986 8.934 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.491 6.045 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.298 7.646 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 121 0.198 8.532 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.503 6.494 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.010 5.599 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.711 7.218 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.788 8.102 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.080 6.049 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.574 5.181 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.356 6.121 -12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.114 6.843 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.346 7.684 -12.286 1.00 0.00 H new ATOM 1887 N ARG A 122 1.694 5.947 -4.861 1.00 0.00 N ATOM 1888 CA ARG A 122 3.127 5.730 -4.505 1.00 0.00 C ATOM 1889 C ARG A 122 3.912 5.165 -5.740 1.00 0.00 C ATOM 1890 O ARG A 122 3.351 4.478 -6.601 1.00 0.00 O ATOM 1891 CB ARG A 122 3.248 4.747 -3.307 1.00 0.00 C ATOM 1892 CG ARG A 122 3.130 5.367 -1.894 1.00 0.00 C ATOM 1893 CD ARG A 122 3.579 4.354 -0.826 1.00 0.00 C ATOM 1894 NE ARG A 122 3.711 4.967 0.519 1.00 0.00 N ATOM 1895 CZ ARG A 122 4.305 4.385 1.564 1.00 0.00 C ATOM 1896 NH1 ARG A 122 4.761 3.156 1.560 1.00 0.00 N ATOM 1897 NH2 ARG A 122 4.455 5.083 2.651 1.00 0.00 N ATOM 0 H ARG A 122 1.093 5.147 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 122 3.559 6.688 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.476 3.985 -3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.210 4.239 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.743 6.266 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 122 2.100 5.670 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.860 3.536 -0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.535 3.921 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 122 3.320 5.899 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.672 2.582 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.205 2.774 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.123 6.047 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.905 4.667 3.466 1.00 0.00 H new ATOM 1911 N ILE A 123 5.219 5.461 -5.818 1.00 0.00 N ATOM 1912 CA ILE A 123 6.131 4.926 -6.873 1.00 0.00 C ATOM 1913 C ILE A 123 7.415 4.461 -6.097 1.00 0.00 C ATOM 1914 O ILE A 123 8.202 5.295 -5.633 1.00 0.00 O ATOM 1915 CB ILE A 123 6.418 5.951 -8.036 1.00 0.00 C ATOM 1916 CG1 ILE A 123 5.163 6.461 -8.818 1.00 0.00 C ATOM 1917 CG2 ILE A 123 7.396 5.346 -9.079 1.00 0.00 C ATOM 1918 CD1 ILE A 123 4.460 7.701 -8.230 1.00 0.00 C ATOM 0 H ILE A 123 5.686 6.079 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 123 5.677 4.095 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 123 6.844 6.808 -7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.464 6.689 -9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.438 5.649 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.578 6.072 -9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.339 5.096 -8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.959 4.444 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.605 7.964 -8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.118 7.480 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.159 8.537 -8.202 1.00 0.00 H new ATOM 1930 N SER A 124 7.625 3.137 -5.975 1.00 0.00 N ATOM 1931 CA SER A 124 8.756 2.543 -5.204 1.00 0.00 C ATOM 1932 C SER A 124 9.614 1.577 -6.084 1.00 0.00 C ATOM 1933 O SER A 124 9.078 0.784 -6.862 1.00 0.00 O ATOM 1934 CB SER A 124 8.158 1.804 -3.977 1.00 0.00 C ATOM 1935 OG SER A 124 7.464 2.695 -3.097 1.00 0.00 O ATOM 0 H SER A 124 7.019 2.439 -6.406 1.00 0.00 H new ATOM 0 HA SER A 124 9.431 3.333 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.474 1.028 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.958 1.305 -3.430 1.00 0.00 H new ATOM 0 HG SER A 124 6.545 2.378 -2.969 1.00 0.00 H new ATOM 1941 N LYS A 125 10.956 1.620 -5.971 1.00 0.00 N ATOM 1942 CA LYS A 125 11.862 0.761 -6.784 1.00 0.00 C ATOM 1943 C LYS A 125 12.373 -0.497 -6.012 1.00 0.00 C ATOM 1944 O LYS A 125 12.788 -0.403 -4.855 1.00 0.00 O ATOM 1945 CB LYS A 125 13.008 1.670 -7.295 1.00 0.00 C ATOM 1946 CG LYS A 125 13.985 0.942 -8.248 1.00 0.00 C ATOM 1947 CD LYS A 125 14.777 1.890 -9.170 1.00 0.00 C ATOM 1948 CE LYS A 125 15.337 1.204 -10.434 1.00 0.00 C ATOM 1949 NZ LYS A 125 16.399 0.209 -10.105 1.00 0.00 N ATOM 0 H LYS A 125 11.445 2.240 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 125 11.317 0.336 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.579 2.529 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.564 2.057 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.687 0.356 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.422 0.239 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.130 2.714 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.603 2.324 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.526 0.706 -10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.743 1.959 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.748 -0.229 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.185 0.687 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.005 -0.526 -9.484 1.00 0.00 H new ATOM 1963 N ARG A 126 12.420 -1.658 -6.696 1.00 0.00 N ATOM 1964 CA ARG A 126 12.863 -2.949 -6.107 1.00 0.00 C ATOM 1965 C ARG A 126 14.340 -2.981 -5.606 1.00 0.00 C ATOM 1966 O ARG A 126 15.284 -2.712 -6.358 1.00 0.00 O ATOM 1967 CB ARG A 126 12.625 -4.021 -7.199 1.00 0.00 C ATOM 1968 CG ARG A 126 12.583 -5.480 -6.694 1.00 0.00 C ATOM 1969 CD ARG A 126 12.397 -6.435 -7.881 1.00 0.00 C ATOM 1970 NE ARG A 126 12.000 -7.800 -7.458 1.00 0.00 N ATOM 1971 CZ ARG A 126 11.589 -8.753 -8.295 1.00 0.00 C ATOM 1972 NH1 ARG A 126 11.593 -8.643 -9.606 1.00 0.00 N ATOM 1973 NH2 ARG A 126 11.155 -9.860 -7.774 1.00 0.00 N ATOM 0 H ARG A 126 12.152 -1.732 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 126 12.287 -3.130 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.683 -3.801 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.413 -3.935 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.506 -5.718 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.766 -5.605 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.639 -6.031 -8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.327 -6.490 -8.447 1.00 0.00 H new ATOM 0 HE ARG A 126 12.044 -8.024 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.926 -7.785 -10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.263 -9.416 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.138 -9.974 -6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.831 -10.615 -8.378 1.00 0.00 H new ATOM 1987 N ILE A 127 14.494 -3.306 -4.319 1.00 0.00 N ATOM 1988 CA ILE A 127 15.804 -3.415 -3.623 1.00 0.00 C ATOM 1989 C ILE A 127 15.819 -4.766 -2.814 1.00 0.00 C ATOM 1990 O ILE A 127 16.924 -5.166 -2.381 1.00 0.00 O ATOM 1991 CB ILE A 127 16.062 -2.057 -2.848 1.00 0.00 C ATOM 1992 CG1 ILE A 127 16.556 -0.937 -3.816 1.00 0.00 C ATOM 1993 CG2 ILE A 127 16.990 -2.175 -1.619 1.00 0.00 C ATOM 1994 CD1 ILE A 127 16.692 0.481 -3.238 1.00 0.00 C ATOM 1995 OXT ILE A 127 14.778 -5.451 -2.629 1.00 0.00 O ATOM 0 H ILE A 127 13.702 -3.507 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 127 16.671 -3.504 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 127 15.089 -1.779 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 127 17.527 -1.236 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.869 -0.893 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 127 17.106 -1.195 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 127 16.554 -2.868 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 127 17.966 -2.545 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 127 17.043 1.159 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.723 0.819 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 127 17.407 0.472 -2.415 1.00 0.00 H new TER 2007 ILE A 127 HETATM 2008 C1 OLA A 128 5.937 10.129 14.492 1.00 0.00 C HETATM 2009 O1 OLA A 128 5.814 11.117 15.251 1.00 0.00 O HETATM 2010 O2 OLA A 128 6.988 9.905 13.853 1.00 0.00 O HETATM 2011 C2 OLA A 128 4.711 9.265 14.228 1.00 0.00 C HETATM 2012 C3 OLA A 128 3.930 9.577 12.930 1.00 0.00 C HETATM 2013 C4 OLA A 128 4.564 9.014 11.646 1.00 0.00 C HETATM 2014 C5 OLA A 128 3.780 9.348 10.362 1.00 0.00 C HETATM 2015 C6 OLA A 128 2.449 8.584 10.221 1.00 0.00 C HETATM 2016 C7 OLA A 128 1.730 8.888 8.896 1.00 0.00 C HETATM 2017 C8 OLA A 128 0.383 8.148 8.801 1.00 0.00 C HETATM 2018 C9 OLA A 128 -0.350 8.490 7.522 1.00 0.00 C HETATM 2019 C10 OLA A 128 -0.365 7.790 6.381 1.00 0.00 C HETATM 2020 C11 OLA A 128 0.347 6.479 6.099 1.00 0.00 C HETATM 2021 C12 OLA A 128 -0.025 5.897 4.722 1.00 0.00 C HETATM 2022 C13 OLA A 128 0.635 4.543 4.406 1.00 0.00 C HETATM 2023 C14 OLA A 128 0.344 4.134 2.951 1.00 0.00 C HETATM 2024 C15 OLA A 128 0.943 2.777 2.549 1.00 0.00 C HETATM 2025 C16 OLA A 128 0.654 2.455 1.068 1.00 0.00 C HETATM 2026 C17 OLA A 128 1.375 1.197 0.551 1.00 0.00 C HETATM 2027 C18 OLA A 128 0.697 -0.119 0.955 1.00 0.00 C HETATM 0 H183 OLA A 128 0.662 -0.192 2.042 1.00 0.00 H new HETATM 0 H182 OLA A 128 -0.317 -0.143 0.557 1.00 0.00 H new HETATM 0 H181 OLA A 128 1.264 -0.959 0.553 1.00 0.00 H new HETATM 0 H172 OLA A 128 1.434 1.245 -0.536 1.00 0.00 H new HETATM 0 H171 OLA A 128 2.398 1.197 0.926 1.00 0.00 H new HETATM 0 H162 OLA A 128 -0.420 2.326 0.937 1.00 0.00 H new HETATM 0 H161 OLA A 128 0.949 3.308 0.457 1.00 0.00 H new HETATM 0 H152 OLA A 128 2.020 2.788 2.718 1.00 0.00 H new HETATM 0 H151 OLA A 128 0.529 1.992 3.182 1.00 0.00 H new HETATM 0 H142 OLA A 128 -0.735 4.101 2.803 1.00 0.00 H new HETATM 0 H141 OLA A 128 0.734 4.903 2.284 1.00 0.00 H new HETATM 0 H132 OLA A 128 1.711 4.610 4.564 1.00 0.00 H new HETATM 0 H131 OLA A 128 0.260 3.780 5.088 1.00 0.00 H new HETATM 0 H122 OLA A 128 -1.108 5.781 4.670 1.00 0.00 H new HETATM 0 H121 OLA A 128 0.256 6.614 3.950 1.00 0.00 H new HETATM 0 H112 OLA A 128 1.425 6.636 6.146 1.00 0.00 H new HETATM 0 H111 OLA A 128 0.096 5.757 6.876 1.00 0.00 H new HETATM 0 HO2 OLA A 128 7.756 10.252 14.354 1.00 0.00 H new HETATM 0 H9 OLA A 128 -0.932 9.411 7.531 1.00 0.00 H new HETATM 0 H82 OLA A 128 0.554 7.072 8.847 1.00 0.00 H new HETATM 0 H81 OLA A 128 -0.238 8.409 9.658 1.00 0.00 H new HETATM 0 H72 OLA A 128 1.563 9.962 8.810 1.00 0.00 H new HETATM 0 H71 OLA A 128 2.366 8.596 8.060 1.00 0.00 H new HETATM 0 H62 OLA A 128 2.640 7.513 10.289 1.00 0.00 H new HETATM 0 H61 OLA A 128 1.795 8.844 11.053 1.00 0.00 H new HETATM 0 H52 OLA A 128 3.576 10.419 10.342 1.00 0.00 H new HETATM 0 H51 OLA A 128 4.407 9.127 9.498 1.00 0.00 H new HETATM 0 H42 OLA A 128 5.578 9.404 11.552 1.00 0.00 H new HETATM 0 H41 OLA A 128 4.646 7.931 11.738 1.00 0.00 H new HETATM 0 H32 OLA A 128 2.920 9.178 13.025 1.00 0.00 H new HETATM 0 H31 OLA A 128 3.837 10.658 12.829 1.00 0.00 H new HETATM 0 H22 OLA A 128 5.026 8.222 14.198 1.00 0.00 H new HETATM 0 H21 OLA A 128 4.030 9.368 15.072 1.00 0.00 H new HETATM 0 H10 OLA A 128 -0.954 8.207 5.564 1.00 0.00 H new HETATM 2061 C1 OLA A 129 4.742 1.230 -1.877 1.00 0.00 C HETATM 2062 O1 OLA A 129 4.840 1.485 -0.653 1.00 0.00 O HETATM 2063 O2 OLA A 129 5.233 1.995 -2.732 1.00 0.00 O HETATM 2064 C2 OLA A 129 4.497 -0.209 -2.315 1.00 0.00 C HETATM 2065 C3 OLA A 129 3.365 -0.946 -1.569 1.00 0.00 C HETATM 2066 C4 OLA A 129 3.336 -2.453 -1.875 1.00 0.00 C HETATM 2067 C5 OLA A 129 2.233 -3.241 -1.133 1.00 0.00 C HETATM 2068 C6 OLA A 129 0.822 -3.043 -1.716 1.00 0.00 C HETATM 2069 C7 OLA A 129 -0.287 -3.696 -0.875 1.00 0.00 C HETATM 2070 C8 OLA A 129 -1.668 -3.505 -1.535 1.00 0.00 C HETATM 2071 C9 OLA A 129 -2.806 -4.018 -0.678 1.00 0.00 C HETATM 2072 C10 OLA A 129 -3.431 -3.365 0.310 1.00 0.00 C HETATM 2073 C11 OLA A 129 -3.143 -1.976 0.850 1.00 0.00 C HETATM 2074 C12 OLA A 129 -2.488 -2.023 2.247 1.00 0.00 C HETATM 2075 C13 OLA A 129 -2.417 -0.641 2.924 1.00 0.00 C HETATM 2076 C14 OLA A 129 -1.926 -0.717 4.385 1.00 0.00 C HETATM 2077 C15 OLA A 129 -1.785 0.634 5.128 1.00 0.00 C HETATM 2078 C16 OLA A 129 -3.051 1.522 5.185 1.00 0.00 C HETATM 2079 C17 OLA A 129 -3.086 2.627 4.112 1.00 0.00 C HETATM 2080 C18 OLA A 129 -4.449 3.326 4.010 1.00 0.00 C HETATM 0 H183 OLA A 129 -5.215 2.594 3.754 1.00 0.00 H new HETATM 0 H182 OLA A 129 -4.694 3.788 4.967 1.00 0.00 H new HETATM 0 H181 OLA A 129 -4.408 4.093 3.237 1.00 0.00 H new HETATM 0 H172 OLA A 129 -2.320 3.369 4.338 1.00 0.00 H new HETATM 0 H171 OLA A 129 -2.834 2.193 3.144 1.00 0.00 H new HETATM 0 H162 OLA A 129 -3.932 0.890 5.071 1.00 0.00 H new HETATM 0 H161 OLA A 129 -3.115 1.984 6.170 1.00 0.00 H new HETATM 0 H152 OLA A 129 -1.464 0.430 6.150 1.00 0.00 H new HETATM 0 H151 OLA A 129 -0.988 1.205 4.651 1.00 0.00 H new HETATM 0 H142 OLA A 129 -2.616 -1.347 4.946 1.00 0.00 H new HETATM 0 H141 OLA A 129 -0.958 -1.217 4.396 1.00 0.00 H new HETATM 0 H132 OLA A 129 -1.749 0.004 2.354 1.00 0.00 H new HETATM 0 H131 OLA A 129 -3.404 -0.178 2.900 1.00 0.00 H new HETATM 0 H122 OLA A 129 -3.051 -2.705 2.884 1.00 0.00 H new HETATM 0 H121 OLA A 129 -1.481 -2.430 2.157 1.00 0.00 H new HETATM 0 H112 OLA A 129 -2.486 -1.447 0.159 1.00 0.00 H new HETATM 0 H111 OLA A 129 -4.072 -1.408 0.904 1.00 0.00 H new HETATM 0 HO2 OLA A 129 4.928 1.727 -3.624 1.00 0.00 H new HETATM 0 H9 OLA A 129 -3.155 -5.029 -0.888 1.00 0.00 H new HETATM 0 H82 OLA A 129 -1.823 -2.446 -1.741 1.00 0.00 H new HETATM 0 H81 OLA A 129 -1.681 -4.021 -2.495 1.00 0.00 H new HETATM 0 H72 OLA A 129 -0.080 -4.760 -0.758 1.00 0.00 H new HETATM 0 H71 OLA A 129 -0.294 -3.261 0.124 1.00 0.00 H new HETATM 0 H62 OLA A 129 0.620 -1.975 -1.803 1.00 0.00 H new HETATM 0 H61 OLA A 129 0.793 -3.456 -2.724 1.00 0.00 H new HETATM 0 H52 OLA A 129 2.480 -4.302 -1.158 1.00 0.00 H new HETATM 0 H51 OLA A 129 2.228 -2.940 -0.085 1.00 0.00 H new HETATM 0 H42 OLA A 129 3.202 -2.590 -2.948 1.00 0.00 H new HETATM 0 H41 OLA A 129 4.305 -2.881 -1.618 1.00 0.00 H new HETATM 0 H32 OLA A 129 3.487 -0.800 -0.496 1.00 0.00 H new HETATM 0 H31 OLA A 129 2.407 -0.505 -1.844 1.00 0.00 H new HETATM 0 H22 OLA A 129 4.269 -0.212 -3.381 1.00 0.00 H new HETATM 0 H21 OLA A 129 5.421 -0.772 -2.185 1.00 0.00 H new HETATM 0 H10 OLA A 129 -4.252 -3.900 0.788 1.00 0.00 H new