USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 11 TYR OH : rot 49:sc= 0.452 USER MOD Set 1.2: A 106 THR OG1 : rot 76:sc= 1.65 USER MOD Set 2.1: A 17 GLN : amide:sc= 0.0559 K(o=-0.94,f=-2.3) USER MOD Set 2.2: A 98 GLN : amide:sc= -0.999 K(o=-0.94,f=-2) USER MOD Set 3.1: A 42 CYS SG : rot -41:sc= -0.691! USER MOD Set 3.2: A 62 CYS SG : rot -140:sc= 0.783 USER MOD Single : A 3 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.32) USER MOD Single : A 6 SER OG : rot -4:sc= 0.425 USER MOD Single : A 7 GLN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 14 GLN : amide:sc= -2.35! C(o=-2.3!,f=-5.6!) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.22) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -37:sc= 0.00455 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0159) USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= 0.681 (180deg=0.135) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.837) USER MOD Single : A 41 THR OG1 : rot 84:sc= 0.195 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 50 THR OG1 : rot 66:sc= 0.422 USER MOD Single : A 54 LYS NZ :NH3+ -99:sc= 1.17 (180deg=-0.283) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.000621 K(o=-0.00062,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 65:sc= 1.01 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -106:sc= 0.0455 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0402 K(o=-0.04,f=-0.98) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.0615 (180deg=-0.335) USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 1.72 (180deg=1.7) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= 0.769 (180deg=0.159) USER MOD Single : A 96 ASN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : A 100 MET CE :methyl 155:sc= -0.108 (180deg=-0.511) USER MOD Single : A 105 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.79) USER MOD Single : A 111 LYS NZ :NH3+ 177:sc=-0.00144 (180deg=-0.0111) USER MOD Single : A 112 SER OG : rot -31:sc= 0.234 USER MOD Single : A 113 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot -38:sc= 0.0728 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= -1.11! C(o=-1.1!,f=-6.1!) USER MOD Single : A 122 HIS : no HD1:sc= -0.348 X(o=-0.35,f=0.031) USER MOD Single : A 123 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.12) USER MOD Single : A 124 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 125 HIS : no HE2:sc= -0.389 K(o=-0.39,f=-3.4!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.375 0.733 1.068 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.812 0.977 1.065 1.00 25.00 O HETATM 3 C2 MYR A 1 0.999 -0.248 0.092 1.00 25.00 C HETATM 4 C3 MYR A 1 0.553 -1.711 0.407 1.00 25.00 C HETATM 5 C4 MYR A 1 1.038 -2.165 1.814 1.00 25.00 C HETATM 6 C5 MYR A 1 0.448 -3.525 2.246 1.00 25.00 C HETATM 7 C6 MYR A 1 1.127 -3.999 3.559 1.00 25.00 C HETATM 8 C7 MYR A 1 0.452 -5.259 4.160 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.367 -4.949 5.442 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.990 -6.240 6.026 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.612 -6.044 7.438 1.00 25.00 C HETATM 12 C11 MYR A 1 -3.148 -5.799 7.395 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.735 -5.754 8.831 1.00 25.00 C HETATM 14 C13 MYR A 1 -5.281 -5.638 8.824 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.841 -5.595 10.262 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.562 -6.508 10.788 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.429 -4.733 10.787 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.927 -5.513 10.227 1.00 25.00 H new HETATM 0 H132 MYR A 1 -5.579 -4.737 8.287 1.00 25.00 H new HETATM 0 H131 MYR A 1 -5.710 -6.485 8.288 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.442 -6.654 9.371 1.00 25.00 H new HETATM 0 H121 MYR A 1 -3.310 -4.907 9.370 1.00 25.00 H new HETATM 0 H112 MYR A 1 -3.358 -4.861 6.881 1.00 25.00 H new HETATM 0 H111 MYR A 1 -3.632 -6.591 6.823 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.407 -6.926 8.045 1.00 25.00 H new HETATM 0 H101 MYR A 1 -1.128 -5.199 7.928 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.760 -6.602 5.345 1.00 25.00 H new HETATM 0 H91 MYR A 1 -0.223 -7.012 6.080 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.278 -4.483 6.187 1.00 25.00 H new HETATM 0 H81 MYR A 1 -1.155 -4.233 5.210 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.205 -5.705 3.413 1.00 25.00 H new HETATM 0 H71 MYR A 1 1.217 -5.999 4.393 1.00 25.00 H new HETATM 0 H62 MYR A 1 2.178 -4.213 3.363 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.097 -3.192 4.291 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.628 -3.434 2.394 1.00 25.00 H new HETATM 0 H51 MYR A 1 0.600 -4.264 1.460 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.126 -2.231 1.813 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.765 -1.407 2.548 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.534 -1.780 0.356 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.951 -2.385 -0.351 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.710 0.013 -0.926 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.085 -0.176 0.143 1.00 25.00 H new ATOM 43 N GLY A 2 1.213 1.274 1.974 1.00 25.00 N ATOM 44 CA GLY A 2 0.791 2.134 3.074 1.00 25.00 C ATOM 45 C GLY A 2 0.076 3.374 2.588 1.00 25.00 C ATOM 46 O GLY A 2 -1.046 3.660 3.006 1.00 25.00 O ATOM 0 HA2 GLY A 2 0.133 1.574 3.739 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.663 2.426 3.660 1.00 25.00 H new ATOM 50 N GLN A 3 0.701 4.086 1.665 1.00 25.00 N ATOM 51 CA GLN A 3 0.102 5.283 1.080 1.00 25.00 C ATOM 52 C GLN A 3 -1.191 4.957 0.339 1.00 25.00 C ATOM 53 O GLN A 3 -2.120 5.743 0.339 1.00 25.00 O ATOM 54 CB GLN A 3 1.088 5.947 0.117 1.00 25.00 C ATOM 55 CG GLN A 3 2.256 6.646 0.811 1.00 25.00 C ATOM 56 CD GLN A 3 1.840 7.936 1.492 1.00 25.00 C ATOM 57 OE1 GLN A 3 1.325 7.941 2.603 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.071 9.040 0.830 1.00 25.00 N ATOM 0 H GLN A 3 1.626 3.858 1.301 1.00 25.00 H new ATOM 0 HA GLN A 3 -0.134 5.967 1.896 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.482 5.191 -0.563 1.00 25.00 H new ATOM 0 HB3 GLN A 3 0.552 6.675 -0.492 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.691 5.973 1.550 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.034 6.860 0.078 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.502 9.000 -0.094 1.00 25.00 H new ATOM 0 HE22 GLN A 3 1.821 9.941 1.237 1.00 25.00 H new ATOM 67 N GLU A 4 -1.269 3.786 -0.270 1.00 25.00 N ATOM 68 CA GLU A 4 -2.485 3.385 -0.969 1.00 25.00 C ATOM 69 C GLU A 4 -3.609 3.089 0.035 1.00 25.00 C ATOM 70 O GLU A 4 -4.774 3.428 -0.188 1.00 25.00 O ATOM 71 CB GLU A 4 -2.191 2.159 -1.842 1.00 25.00 C ATOM 72 CG GLU A 4 -3.411 1.451 -2.408 1.00 25.00 C ATOM 73 CD GLU A 4 -4.147 2.255 -3.475 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.544 3.416 -3.213 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.493 1.655 -4.507 1.00 25.00 O ATOM 0 H GLU A 4 -0.515 3.100 -0.297 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.819 4.201 -1.610 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.555 2.469 -2.671 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.618 1.443 -1.252 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.101 0.497 -2.834 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.101 1.228 -1.594 1.00 25.00 H new ATOM 82 N LEU A 5 -3.266 2.484 1.158 1.00 25.00 N ATOM 83 CA LEU A 5 -4.255 2.171 2.187 1.00 25.00 C ATOM 84 C LEU A 5 -4.785 3.449 2.848 1.00 25.00 C ATOM 85 O LEU A 5 -5.970 3.532 3.162 1.00 25.00 O ATOM 86 CB LEU A 5 -3.648 1.226 3.230 1.00 25.00 C ATOM 87 CG LEU A 5 -3.398 -0.220 2.750 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.563 -0.960 3.782 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.695 -0.991 2.497 1.00 25.00 C ATOM 0 H LEU A 5 -2.314 2.198 1.385 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.100 1.670 1.714 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.701 1.647 3.569 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.310 1.194 4.095 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.868 -0.157 1.800 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.387 -1.981 3.443 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.608 -0.450 3.911 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.095 -0.980 4.733 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.458 -2.001 2.162 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.274 -1.041 3.419 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.278 -0.481 1.730 1.00 25.00 H new ATOM 101 N SER A 6 -3.942 4.463 3.000 1.00 25.00 N ATOM 102 CA SER A 6 -4.388 5.764 3.519 1.00 25.00 C ATOM 103 C SER A 6 -5.096 6.599 2.441 1.00 25.00 C ATOM 104 O SER A 6 -5.785 7.564 2.758 1.00 25.00 O ATOM 105 CB SER A 6 -3.198 6.553 4.070 1.00 25.00 C ATOM 106 OG SER A 6 -2.223 6.758 3.068 1.00 25.00 O ATOM 0 H SER A 6 -2.948 4.417 2.774 1.00 25.00 H new ATOM 0 HA SER A 6 -5.102 5.564 4.318 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.540 7.515 4.453 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.756 6.015 4.909 1.00 25.00 H new ATOM 0 HG SER A 6 -2.490 6.288 2.250 1.00 25.00 H new ATOM 112 N GLN A 7 -4.946 6.218 1.178 1.00 25.00 N ATOM 113 CA GLN A 7 -5.611 6.911 0.068 1.00 25.00 C ATOM 114 C GLN A 7 -7.007 6.317 -0.092 1.00 25.00 C ATOM 115 O GLN A 7 -7.958 6.983 -0.499 1.00 25.00 O ATOM 116 CB GLN A 7 -4.794 6.726 -1.221 1.00 25.00 C ATOM 117 CG GLN A 7 -5.367 7.418 -2.449 1.00 25.00 C ATOM 118 CD GLN A 7 -4.418 7.373 -3.634 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.008 8.405 -4.141 1.00 25.00 O ATOM 120 NE2 GLN A 7 -4.068 6.193 -4.076 1.00 25.00 N ATOM 0 H GLN A 7 -4.367 5.429 0.890 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.687 7.979 0.272 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.784 7.099 -1.050 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.709 5.660 -1.430 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.309 6.944 -2.723 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.592 8.457 -2.206 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.431 5.352 -3.627 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.432 6.114 -4.870 1.00 25.00 H new ATOM 129 N HIS A 8 -7.123 5.045 0.249 1.00 25.00 N ATOM 130 CA HIS A 8 -8.390 4.333 0.174 1.00 25.00 C ATOM 131 C HIS A 8 -9.301 4.724 1.335 1.00 25.00 C ATOM 132 O HIS A 8 -9.277 4.106 2.388 1.00 25.00 O ATOM 133 CB HIS A 8 -8.126 2.825 0.178 1.00 25.00 C ATOM 134 CG HIS A 8 -8.049 2.231 -1.194 1.00 25.00 C ATOM 135 ND1 HIS A 8 -7.014 2.493 -2.093 1.00 25.00 N ATOM 136 CD2 HIS A 8 -8.877 1.384 -1.863 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.249 1.833 -3.220 1.00 25.00 C ATOM 138 NE2 HIS A 8 -8.355 1.157 -3.100 1.00 25.00 N ATOM 0 H HIS A 8 -6.345 4.477 0.585 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.897 4.605 -0.752 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.192 2.629 0.704 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.917 2.327 0.738 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -6.209 3.093 -1.913 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.794 0.963 -1.478 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -6.621 1.853 -4.099 1.00 25.00 H new ATOM 146 N GLU A 9 -10.140 5.722 1.107 1.00 25.00 N ATOM 147 CA GLU A 9 -11.091 6.229 2.112 1.00 25.00 C ATOM 148 C GLU A 9 -11.914 5.142 2.827 1.00 25.00 C ATOM 149 O GLU A 9 -12.146 5.223 4.029 1.00 25.00 O ATOM 150 CB GLU A 9 -12.050 7.219 1.439 1.00 25.00 C ATOM 151 CG GLU A 9 -12.519 6.765 0.049 1.00 25.00 C ATOM 152 CD GLU A 9 -13.686 7.578 -0.471 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.653 8.820 -0.375 1.00 25.00 O ATOM 154 OE2 GLU A 9 -14.639 6.957 -0.990 1.00 25.00 O ATOM 0 H GLU A 9 -10.189 6.214 0.215 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.486 6.705 2.884 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.921 7.362 2.079 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.557 8.187 1.350 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -11.688 6.841 -0.652 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -12.805 5.714 0.092 1.00 25.00 H new ATOM 161 N ARG A 10 -12.297 4.097 2.102 1.00 25.00 N ATOM 162 CA ARG A 10 -13.063 2.976 2.672 1.00 25.00 C ATOM 163 C ARG A 10 -12.309 2.294 3.811 1.00 25.00 C ATOM 164 O ARG A 10 -12.896 1.825 4.784 1.00 25.00 O ATOM 165 CB ARG A 10 -13.318 1.935 1.579 1.00 25.00 C ATOM 166 CG ARG A 10 -14.243 2.398 0.455 1.00 25.00 C ATOM 167 CD ARG A 10 -13.911 1.663 -0.844 1.00 25.00 C ATOM 168 NE ARG A 10 -13.942 0.199 -0.669 1.00 25.00 N ATOM 169 CZ ARG A 10 -13.588 -0.696 -1.584 1.00 25.00 C ATOM 170 NH1 ARG A 10 -13.171 -0.353 -2.782 1.00 25.00 N ATOM 171 NH2 ARG A 10 -13.655 -1.956 -1.284 1.00 25.00 N ATOM 0 H ARG A 10 -12.091 3.996 1.108 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.997 3.379 3.063 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.362 1.642 1.146 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.746 1.044 2.039 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.281 2.213 0.730 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.139 3.473 0.309 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.623 1.952 -1.617 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -12.923 1.967 -1.191 1.00 25.00 H new ATOM 0 HE ARG A 10 -14.263 -0.156 0.232 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -13.110 0.632 -3.038 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -12.908 -1.072 -3.456 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -13.975 -2.244 -0.359 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -13.388 -2.659 -1.973 1.00 25.00 H new ATOM 185 N TYR A 11 -10.998 2.241 3.669 1.00 25.00 N ATOM 186 CA TYR A 11 -10.133 1.611 4.649 1.00 25.00 C ATOM 187 C TYR A 11 -9.827 2.591 5.771 1.00 25.00 C ATOM 188 O TYR A 11 -9.760 2.217 6.937 1.00 25.00 O ATOM 189 CB TYR A 11 -8.843 1.188 3.961 1.00 25.00 C ATOM 190 CG TYR A 11 -8.008 0.238 4.771 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.482 -1.050 5.085 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.731 0.610 5.218 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.694 -1.944 5.843 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.934 -0.290 5.971 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.428 -1.554 6.284 1.00 25.00 C ATOM 196 OH TYR A 11 -5.659 -2.409 7.029 1.00 25.00 O ATOM 0 H TYR A 11 -10.502 2.634 2.869 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.627 0.737 5.074 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.087 0.720 3.007 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.253 2.077 3.738 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.459 -1.358 4.742 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.350 1.594 4.986 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -8.070 -2.928 6.081 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.948 0.004 6.300 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.628 -3.286 6.592 1.00 25.00 H new ATOM 206 N VAL A 12 -9.683 3.859 5.415 1.00 25.00 N ATOM 207 CA VAL A 12 -9.427 4.922 6.388 1.00 25.00 C ATOM 208 C VAL A 12 -10.589 5.018 7.378 1.00 25.00 C ATOM 209 O VAL A 12 -10.366 5.207 8.568 1.00 25.00 O ATOM 210 CB VAL A 12 -9.196 6.283 5.665 1.00 25.00 C ATOM 211 CG1 VAL A 12 -9.000 7.433 6.661 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.959 6.192 4.777 1.00 25.00 C ATOM 0 H VAL A 12 -9.739 4.184 4.450 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.521 4.680 6.943 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.084 6.489 5.068 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.842 8.364 6.116 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.886 7.526 7.288 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -8.132 7.228 7.288 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.802 7.146 4.274 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.088 5.957 5.389 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.102 5.408 4.033 1.00 25.00 H new ATOM 222 N GLU A 13 -11.814 4.811 6.913 1.00 25.00 N ATOM 223 CA GLU A 13 -12.987 4.786 7.799 1.00 25.00 C ATOM 224 C GLU A 13 -12.791 3.788 8.939 1.00 25.00 C ATOM 225 O GLU A 13 -13.041 4.092 10.110 1.00 25.00 O ATOM 226 CB GLU A 13 -14.237 4.383 7.006 1.00 25.00 C ATOM 227 CG GLU A 13 -14.876 5.518 6.232 1.00 25.00 C ATOM 228 CD GLU A 13 -15.489 6.548 7.160 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.420 6.200 7.910 1.00 25.00 O ATOM 230 OE2 GLU A 13 -14.965 7.681 7.214 1.00 25.00 O ATOM 0 H GLU A 13 -12.029 4.657 5.928 1.00 25.00 H new ATOM 0 HA GLU A 13 -13.111 5.786 8.214 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.971 3.588 6.309 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.973 3.969 7.695 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.127 5.996 5.600 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.645 5.120 5.570 1.00 25.00 H new ATOM 237 N GLN A 14 -12.304 2.606 8.601 1.00 25.00 N ATOM 238 CA GLN A 14 -12.053 1.576 9.599 1.00 25.00 C ATOM 239 C GLN A 14 -10.799 1.868 10.407 1.00 25.00 C ATOM 240 O GLN A 14 -10.783 1.678 11.615 1.00 25.00 O ATOM 241 CB GLN A 14 -11.918 0.224 8.921 1.00 25.00 C ATOM 242 CG GLN A 14 -13.223 -0.253 8.334 1.00 25.00 C ATOM 243 CD GLN A 14 -13.481 -1.640 8.674 1.00 25.00 C ATOM 244 OE1 GLN A 14 -12.901 -2.534 8.104 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.357 -1.848 9.618 1.00 25.00 N ATOM 0 H GLN A 14 -12.074 2.334 7.645 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.900 1.566 10.285 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.169 0.289 8.132 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.558 -0.508 9.643 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -14.038 0.371 8.701 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.199 -0.141 7.250 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -14.819 -1.058 10.068 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.580 -2.801 9.906 1.00 25.00 H new ATOM 254 N LEU A 15 -9.749 2.352 9.764 1.00 25.00 N ATOM 255 CA LEU A 15 -8.506 2.636 10.474 1.00 25.00 C ATOM 256 C LEU A 15 -8.641 3.782 11.464 1.00 25.00 C ATOM 257 O LEU A 15 -7.917 3.823 12.451 1.00 25.00 O ATOM 258 CB LEU A 15 -7.377 2.963 9.505 1.00 25.00 C ATOM 259 CG LEU A 15 -6.641 1.811 8.815 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.490 2.434 8.031 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.090 0.775 9.812 1.00 25.00 C ATOM 0 H LEU A 15 -9.728 2.555 8.765 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.272 1.727 11.028 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.786 3.607 8.726 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.636 3.550 10.047 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.337 1.273 8.171 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.932 1.650 7.519 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.887 3.135 7.297 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.827 2.963 8.716 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.578 -0.018 9.267 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.388 1.260 10.490 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.913 0.349 10.386 1.00 25.00 H new ATOM 273 N LYS A 16 -9.588 4.685 11.247 1.00 25.00 N ATOM 274 CA LYS A 16 -9.829 5.767 12.207 1.00 25.00 C ATOM 275 C LYS A 16 -10.298 5.158 13.516 1.00 25.00 C ATOM 276 O LYS A 16 -10.002 5.670 14.588 1.00 25.00 O ATOM 277 CB LYS A 16 -10.875 6.753 11.676 1.00 25.00 C ATOM 278 CG LYS A 16 -10.299 7.773 10.685 1.00 25.00 C ATOM 279 CD LYS A 16 -11.339 8.796 10.214 1.00 25.00 C ATOM 280 CE LYS A 16 -12.394 8.183 9.303 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.319 9.232 8.752 1.00 25.00 N ATOM 0 H LYS A 16 -10.197 4.696 10.429 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.904 6.321 12.362 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.675 6.196 11.189 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.322 7.285 12.516 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.466 8.298 11.153 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.897 7.245 9.820 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -11.827 9.238 11.082 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -10.834 9.605 9.686 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.907 7.658 8.482 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.970 7.443 9.858 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.818 8.853 7.922 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.012 9.501 9.480 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.768 10.069 8.473 1.00 25.00 H new ATOM 295 N GLN A 17 -10.985 4.032 13.426 1.00 25.00 N ATOM 296 CA GLN A 17 -11.424 3.315 14.612 1.00 25.00 C ATOM 297 C GLN A 17 -10.285 2.440 15.144 1.00 25.00 C ATOM 298 O GLN A 17 -10.069 2.373 16.346 1.00 25.00 O ATOM 299 CB GLN A 17 -12.634 2.439 14.278 1.00 25.00 C ATOM 300 CG GLN A 17 -13.823 3.207 13.694 1.00 25.00 C ATOM 301 CD GLN A 17 -14.907 2.281 13.181 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.135 1.210 13.724 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.563 2.678 12.123 1.00 25.00 N ATOM 0 H GLN A 17 -11.251 3.594 12.544 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.708 4.039 15.376 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.328 1.671 13.568 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.957 1.925 15.183 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.240 3.863 14.458 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.477 3.844 12.880 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.346 3.579 11.696 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.293 2.087 11.724 1.00 25.00 H new ATOM 312 N ALA A 18 -9.555 1.776 14.254 1.00 25.00 N ATOM 313 CA ALA A 18 -8.481 0.863 14.661 1.00 25.00 C ATOM 314 C ALA A 18 -7.282 1.558 15.334 1.00 25.00 C ATOM 315 O ALA A 18 -6.818 1.106 16.378 1.00 25.00 O ATOM 316 CB ALA A 18 -8.013 0.043 13.467 1.00 25.00 C ATOM 0 H ALA A 18 -9.684 1.850 13.245 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.912 0.212 15.422 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.216 -0.632 13.779 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.848 -0.538 13.075 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.640 0.711 12.691 1.00 25.00 H new ATOM 322 N LEU A 19 -6.790 2.654 14.765 1.00 25.00 N ATOM 323 CA LEU A 19 -5.666 3.380 15.377 1.00 25.00 C ATOM 324 C LEU A 19 -6.119 3.863 16.757 1.00 25.00 C ATOM 325 O LEU A 19 -5.385 3.783 17.740 1.00 25.00 O ATOM 326 CB LEU A 19 -5.233 4.598 14.527 1.00 25.00 C ATOM 327 CG LEU A 19 -4.057 4.444 13.530 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.424 3.692 12.252 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.535 5.828 13.128 1.00 25.00 C ATOM 0 H LEU A 19 -7.139 3.059 13.897 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.809 2.710 15.447 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.103 4.928 13.960 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.977 5.404 15.215 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.301 3.858 14.053 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.549 3.625 11.605 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.765 2.688 12.506 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.220 4.225 11.732 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.708 5.715 12.427 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.336 6.396 12.656 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.189 6.358 14.015 1.00 25.00 H new ATOM 341 N LYS A 20 -7.356 4.337 16.826 1.00 25.00 N ATOM 342 CA LYS A 20 -7.919 4.860 18.071 1.00 25.00 C ATOM 343 C LYS A 20 -8.154 3.784 19.126 1.00 25.00 C ATOM 344 O LYS A 20 -7.917 4.026 20.303 1.00 25.00 O ATOM 345 CB LYS A 20 -9.234 5.593 17.755 1.00 25.00 C ATOM 346 CG LYS A 20 -9.926 6.242 18.958 1.00 25.00 C ATOM 347 CD LYS A 20 -11.082 5.374 19.470 1.00 25.00 C ATOM 348 CE LYS A 20 -11.748 6.007 20.685 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.848 5.127 21.219 1.00 25.00 N ATOM 0 H LYS A 20 -7.994 4.371 16.031 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.188 5.547 18.498 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.031 6.365 17.013 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.925 4.885 17.298 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.202 6.396 19.758 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -10.303 7.225 18.677 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.818 5.239 18.677 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.709 4.384 19.731 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.004 6.178 21.463 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -12.156 6.981 20.414 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.285 5.581 22.046 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.567 4.985 20.482 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.452 4.207 21.498 1.00 25.00 H new ATOM 363 N THR A 21 -8.639 2.614 18.738 1.00 25.00 N ATOM 364 CA THR A 21 -8.978 1.582 19.723 1.00 25.00 C ATOM 365 C THR A 21 -7.729 0.967 20.342 1.00 25.00 C ATOM 366 O THR A 21 -7.787 0.416 21.433 1.00 25.00 O ATOM 367 CB THR A 21 -9.913 0.481 19.137 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.593 -0.173 20.209 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.161 -0.574 18.339 1.00 25.00 C ATOM 0 H THR A 21 -8.807 2.352 17.767 1.00 25.00 H new ATOM 0 HA THR A 21 -9.535 2.083 20.515 1.00 25.00 H new ATOM 0 HB THR A 21 -10.607 0.981 18.461 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.990 -0.255 20.977 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.866 -1.312 17.957 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.645 -0.100 17.504 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.433 -1.067 18.983 1.00 25.00 H new ATOM 377 N ARG A 22 -6.585 1.125 19.685 1.00 25.00 N ATOM 378 CA ARG A 22 -5.316 0.688 20.265 1.00 25.00 C ATOM 379 C ARG A 22 -4.886 1.629 21.382 1.00 25.00 C ATOM 380 O ARG A 22 -4.083 1.266 22.224 1.00 25.00 O ATOM 381 CB ARG A 22 -4.214 0.657 19.198 1.00 25.00 C ATOM 382 CG ARG A 22 -4.320 -0.475 18.192 1.00 25.00 C ATOM 383 CD ARG A 22 -4.088 -1.836 18.843 1.00 25.00 C ATOM 384 NE ARG A 22 -2.733 -1.995 19.397 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.290 -3.086 20.014 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.048 -4.135 20.201 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.062 -3.122 20.441 1.00 25.00 N ATOM 0 H ARG A 22 -6.508 1.548 18.760 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.464 -0.315 20.666 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.226 1.604 18.658 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.248 0.588 19.698 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -5.306 -0.458 17.728 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.590 -0.324 17.396 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.818 -1.978 19.640 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -4.265 -2.619 18.105 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.087 -1.211 19.300 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -4.013 -4.133 19.869 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.675 -4.955 20.679 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.450 -2.318 20.301 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.711 -3.954 20.916 1.00 25.00 H new ATOM 401 N GLY A 23 -5.372 2.864 21.337 1.00 25.00 N ATOM 402 CA GLY A 23 -4.976 3.874 22.309 1.00 25.00 C ATOM 403 C GLY A 23 -3.577 4.397 22.040 1.00 25.00 C ATOM 404 O GLY A 23 -3.024 5.177 22.814 1.00 25.00 O ATOM 0 H GLY A 23 -6.040 3.189 20.638 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.685 4.702 22.282 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.019 3.450 23.312 1.00 25.00 H new ATOM 408 N VAL A 24 -2.991 3.950 20.941 1.00 25.00 N ATOM 409 CA VAL A 24 -1.622 4.307 20.595 1.00 25.00 C ATOM 410 C VAL A 24 -1.661 5.644 19.867 1.00 25.00 C ATOM 411 O VAL A 24 -2.383 5.814 18.886 1.00 25.00 O ATOM 412 CB VAL A 24 -0.963 3.205 19.704 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.461 3.598 19.306 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.915 1.856 20.463 1.00 25.00 C ATOM 0 H VAL A 24 -3.446 3.334 20.267 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.016 4.387 21.498 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.570 3.103 18.805 1.00 25.00 H new ATOM 0 HG11 VAL A 24 0.895 2.813 18.687 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.437 4.532 18.745 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.066 3.729 20.203 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.453 1.098 19.830 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.330 1.972 21.375 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.928 1.546 20.719 1.00 25.00 H new ATOM 424 N LYS A 25 -0.907 6.610 20.371 1.00 25.00 N ATOM 425 CA LYS A 25 -0.885 7.951 19.786 1.00 25.00 C ATOM 426 C LYS A 25 0.035 7.989 18.569 1.00 25.00 C ATOM 427 O LYS A 25 1.185 8.395 18.671 1.00 25.00 O ATOM 428 CB LYS A 25 -0.397 8.966 20.829 1.00 25.00 C ATOM 429 CG LYS A 25 -1.334 9.113 22.038 1.00 25.00 C ATOM 430 CD LYS A 25 -0.712 9.982 23.148 1.00 25.00 C ATOM 431 CE LYS A 25 -0.556 11.460 22.755 1.00 25.00 C ATOM 432 NZ LYS A 25 -1.884 12.145 22.580 1.00 25.00 N ATOM 0 H LYS A 25 -0.301 6.495 21.183 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.896 8.208 19.471 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.590 8.665 21.181 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.282 9.938 20.350 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.276 9.557 21.715 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.567 8.126 22.438 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.333 9.915 24.041 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.266 9.578 23.409 1.00 25.00 H new ATOM 0 HE2 LYS A 25 0.020 11.979 23.521 1.00 25.00 H new ATOM 0 HE3 LYS A 25 0.012 11.529 21.827 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -1.732 13.161 22.416 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.382 11.733 21.765 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.457 12.015 23.438 1.00 25.00 H new ATOM 446 N VAL A 26 -0.493 7.602 17.418 1.00 25.00 N ATOM 447 CA VAL A 26 0.253 7.652 16.157 1.00 25.00 C ATOM 448 C VAL A 26 -0.554 8.397 15.110 1.00 25.00 C ATOM 449 O VAL A 26 -1.785 8.371 15.110 1.00 25.00 O ATOM 450 CB VAL A 26 0.595 6.227 15.607 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.822 5.669 16.326 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.599 5.262 15.758 1.00 25.00 C ATOM 0 H VAL A 26 -1.444 7.246 17.325 1.00 25.00 H new ATOM 0 HA VAL A 26 1.190 8.169 16.364 1.00 25.00 H new ATOM 0 HB VAL A 26 0.814 6.320 14.543 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.052 4.677 15.937 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.673 6.330 16.161 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.618 5.601 17.395 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -0.327 4.282 15.366 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.862 5.171 16.812 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.453 5.650 15.203 1.00 25.00 H new ATOM 462 N LYS A 27 0.150 9.068 14.216 1.00 25.00 N ATOM 463 CA LYS A 27 -0.476 9.761 13.097 1.00 25.00 C ATOM 464 C LYS A 27 -0.772 8.677 12.071 1.00 25.00 C ATOM 465 O LYS A 27 -0.084 7.669 12.039 1.00 25.00 O ATOM 466 CB LYS A 27 0.524 10.774 12.538 1.00 25.00 C ATOM 467 CG LYS A 27 -0.041 11.919 11.724 1.00 25.00 C ATOM 468 CD LYS A 27 1.092 12.740 11.057 1.00 25.00 C ATOM 469 CE LYS A 27 2.044 13.438 12.065 1.00 25.00 C ATOM 470 NZ LYS A 27 3.272 12.611 12.422 1.00 25.00 N ATOM 0 H LYS A 27 1.166 9.150 14.242 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.383 10.297 13.375 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.082 11.196 13.374 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.239 10.236 11.916 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.711 11.529 10.958 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.635 12.568 12.367 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.678 12.079 10.418 1.00 25.00 H new ATOM 0 HD3 LYS A 27 0.646 13.496 10.411 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.368 14.390 11.645 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.491 13.663 12.977 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.120 13.212 12.380 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 3.166 12.229 13.383 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.371 11.827 11.746 1.00 25.00 H new ATOM 484 N PHE A 28 -1.736 8.897 11.195 1.00 25.00 N ATOM 485 CA PHE A 28 -2.006 7.935 10.125 1.00 25.00 C ATOM 486 C PHE A 28 -0.773 7.737 9.267 1.00 25.00 C ATOM 487 O PHE A 28 -0.402 6.616 8.968 1.00 25.00 O ATOM 488 CB PHE A 28 -3.138 8.453 9.238 1.00 25.00 C ATOM 489 CG PHE A 28 -4.431 7.729 9.421 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.258 8.005 10.526 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.847 6.776 8.475 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.489 7.332 10.688 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.072 6.104 8.624 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.896 6.385 9.730 1.00 25.00 C ATOM 0 H PHE A 28 -2.341 9.718 11.196 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.289 6.986 10.581 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.293 9.512 9.446 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.833 8.374 8.194 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.948 8.738 11.256 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.218 6.558 7.624 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.115 7.543 11.543 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.381 5.373 7.891 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.841 5.874 9.843 1.00 25.00 H new ATOM 504 N ALA A 29 -0.113 8.831 8.918 1.00 25.00 N ATOM 505 CA ALA A 29 1.101 8.764 8.115 1.00 25.00 C ATOM 506 C ALA A 29 2.168 7.928 8.816 1.00 25.00 C ATOM 507 O ALA A 29 2.889 7.182 8.182 1.00 25.00 O ATOM 508 CB ALA A 29 1.632 10.172 7.867 1.00 25.00 C ATOM 0 H ALA A 29 -0.397 9.776 9.178 1.00 25.00 H new ATOM 0 HA ALA A 29 0.860 8.291 7.163 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.540 10.118 7.266 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.880 10.756 7.337 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.856 10.650 8.821 1.00 25.00 H new ATOM 514 N ASP A 30 2.262 8.072 10.129 1.00 25.00 N ATOM 515 CA ASP A 30 3.292 7.384 10.897 1.00 25.00 C ATOM 516 C ASP A 30 2.998 5.895 10.894 1.00 25.00 C ATOM 517 O ASP A 30 3.902 5.082 10.808 1.00 25.00 O ATOM 518 CB ASP A 30 3.322 7.872 12.352 1.00 25.00 C ATOM 519 CG ASP A 30 3.628 9.357 12.482 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.030 10.008 11.493 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.329 9.913 13.563 1.00 25.00 O ATOM 0 H ASP A 30 1.639 8.658 10.686 1.00 25.00 H new ATOM 0 HA ASP A 30 4.258 7.594 10.438 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.359 7.664 12.818 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.071 7.304 12.903 1.00 25.00 H new ATOM 526 N LEU A 31 1.722 5.542 10.997 1.00 25.00 N ATOM 527 CA LEU A 31 1.330 4.139 11.045 1.00 25.00 C ATOM 528 C LEU A 31 1.501 3.480 9.678 1.00 25.00 C ATOM 529 O LEU A 31 2.176 2.459 9.544 1.00 25.00 O ATOM 530 CB LEU A 31 -0.117 4.007 11.554 1.00 25.00 C ATOM 531 CG LEU A 31 -0.693 2.599 11.841 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.370 2.018 10.608 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.348 1.604 12.351 1.00 25.00 C ATOM 0 H LEU A 31 0.946 6.203 11.049 1.00 25.00 H new ATOM 0 HA LEU A 31 1.984 3.618 11.744 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.195 4.587 12.474 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.767 4.484 10.821 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.424 2.747 12.636 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.764 1.029 10.841 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.187 2.671 10.300 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.645 1.938 9.798 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.128 0.640 12.530 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.135 1.487 11.606 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.780 1.974 13.281 1.00 25.00 H new ATOM 545 N LEU A 32 0.899 4.066 8.657 1.00 25.00 N ATOM 546 CA LEU A 32 0.981 3.503 7.302 1.00 25.00 C ATOM 547 C LEU A 32 2.390 3.539 6.720 1.00 25.00 C ATOM 548 O LEU A 32 2.706 2.750 5.840 1.00 25.00 O ATOM 549 CB LEU A 32 0.011 4.198 6.338 1.00 25.00 C ATOM 550 CG LEU A 32 -1.471 3.768 6.367 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.669 2.246 6.343 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.165 4.343 7.576 1.00 25.00 C ATOM 0 H LEU A 32 0.351 4.923 8.729 1.00 25.00 H new ATOM 0 HA LEU A 32 0.694 2.457 7.409 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.052 5.269 6.537 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.383 4.048 5.324 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.913 4.163 5.452 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.735 2.017 6.365 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.229 1.836 5.434 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.184 1.802 7.213 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.209 4.029 7.580 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.675 3.985 8.481 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.113 5.431 7.542 1.00 25.00 H new ATOM 564 N LYS A 33 3.263 4.383 7.247 1.00 25.00 N ATOM 565 CA LYS A 33 4.679 4.365 6.831 1.00 25.00 C ATOM 566 C LYS A 33 5.256 2.962 7.005 1.00 25.00 C ATOM 567 O LYS A 33 6.001 2.468 6.167 1.00 25.00 O ATOM 568 CB LYS A 33 5.506 5.352 7.664 1.00 25.00 C ATOM 569 CG LYS A 33 6.993 5.317 7.339 1.00 25.00 C ATOM 570 CD LYS A 33 7.768 6.355 8.126 1.00 25.00 C ATOM 571 CE LYS A 33 9.247 6.290 7.751 1.00 25.00 C ATOM 572 NZ LYS A 33 10.065 7.294 8.514 1.00 25.00 N ATOM 0 H LYS A 33 3.033 5.083 7.953 1.00 25.00 H new ATOM 0 HA LYS A 33 4.726 4.659 5.782 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.129 6.361 7.499 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.367 5.129 8.722 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.389 4.325 7.558 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.136 5.489 6.272 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.374 7.350 7.919 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.646 6.180 9.195 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.627 5.288 7.948 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.358 6.469 6.682 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 11.062 7.217 8.230 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.719 8.253 8.307 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.980 7.108 9.534 1.00 25.00 H new ATOM 586 N PHE A 34 4.898 2.311 8.097 1.00 25.00 N ATOM 587 CA PHE A 34 5.400 0.974 8.383 1.00 25.00 C ATOM 588 C PHE A 34 4.734 -0.081 7.506 1.00 25.00 C ATOM 589 O PHE A 34 5.328 -1.111 7.222 1.00 25.00 O ATOM 590 CB PHE A 34 5.247 0.679 9.870 1.00 25.00 C ATOM 591 CG PHE A 34 6.295 1.360 10.707 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.114 2.686 11.127 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.491 0.697 11.043 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.102 3.352 11.883 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.491 1.353 11.804 1.00 25.00 C ATOM 596 CZ PHE A 34 8.291 2.683 12.227 1.00 25.00 C ATOM 0 H PHE A 34 4.262 2.684 8.802 1.00 25.00 H new ATOM 0 HA PHE A 34 6.461 0.935 8.137 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.259 1.000 10.200 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.303 -0.398 10.030 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.204 3.206 10.868 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.648 -0.321 10.718 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.946 4.373 12.197 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.404 0.835 12.059 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.047 3.186 12.812 1.00 25.00 H new ATOM 606 N PHE A 35 3.541 0.202 7.005 1.00 25.00 N ATOM 607 CA PHE A 35 2.892 -0.692 6.042 1.00 25.00 C ATOM 608 C PHE A 35 3.640 -0.614 4.706 1.00 25.00 C ATOM 609 O PHE A 35 3.738 -1.600 3.992 1.00 25.00 O ATOM 610 CB PHE A 35 1.418 -0.322 5.838 1.00 25.00 C ATOM 611 CG PHE A 35 0.502 -0.826 6.928 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.680 -0.449 8.274 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.558 -1.688 6.601 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.186 -0.941 9.283 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.438 -2.173 7.599 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.249 -1.802 8.941 1.00 25.00 C ATOM 0 H PHE A 35 3.002 1.035 7.243 1.00 25.00 H new ATOM 0 HA PHE A 35 2.926 -1.709 6.433 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.331 0.763 5.777 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.082 -0.723 4.881 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.484 0.221 8.540 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -0.704 -1.985 5.573 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.032 -0.656 10.313 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.254 -2.827 7.329 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.914 -2.174 9.706 1.00 25.00 H new ATOM 626 N ASP A 36 4.217 0.535 4.387 1.00 25.00 N ATOM 627 CA ASP A 36 5.025 0.653 3.168 1.00 25.00 C ATOM 628 C ASP A 36 6.399 0.024 3.359 1.00 25.00 C ATOM 629 O ASP A 36 7.022 -0.422 2.403 1.00 25.00 O ATOM 630 CB ASP A 36 5.178 2.112 2.737 1.00 25.00 C ATOM 631 CG ASP A 36 4.140 2.517 1.712 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.853 1.707 0.806 1.00 25.00 O ATOM 633 OD2 ASP A 36 3.538 3.597 1.855 1.00 25.00 O ATOM 0 H ASP A 36 4.147 1.389 4.940 1.00 25.00 H new ATOM 0 HA ASP A 36 4.498 0.115 2.380 1.00 25.00 H new ATOM 0 HB2 ASP A 36 5.095 2.758 3.611 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.174 2.264 2.322 1.00 25.00 H new ATOM 638 N PHE A 37 6.845 -0.094 4.600 1.00 25.00 N ATOM 639 CA PHE A 37 8.098 -0.794 4.880 1.00 25.00 C ATOM 640 C PHE A 37 7.904 -2.287 4.581 1.00 25.00 C ATOM 641 O PHE A 37 8.793 -2.940 4.042 1.00 25.00 O ATOM 642 CB PHE A 37 8.541 -0.562 6.329 1.00 25.00 C ATOM 643 CG PHE A 37 9.953 -1.005 6.609 1.00 25.00 C ATOM 644 CD1 PHE A 37 11.041 -0.370 5.976 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.210 -2.053 7.512 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.374 -0.783 6.234 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.540 -2.476 7.775 1.00 25.00 C ATOM 648 CZ PHE A 37 12.621 -1.839 7.134 1.00 25.00 C ATOM 0 H PHE A 37 6.369 0.278 5.422 1.00 25.00 H new ATOM 0 HA PHE A 37 8.890 -0.403 4.242 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.450 0.499 6.562 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.863 -1.095 6.996 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.858 0.441 5.286 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.386 -2.542 8.011 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.198 -0.289 5.741 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.723 -3.286 8.466 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.634 -2.158 7.331 1.00 25.00 H new ATOM 658 N VAL A 38 6.696 -2.795 4.824 1.00 25.00 N ATOM 659 CA VAL A 38 6.357 -4.168 4.421 1.00 25.00 C ATOM 660 C VAL A 38 6.428 -4.247 2.928 1.00 25.00 C ATOM 661 O VAL A 38 6.935 -5.199 2.369 1.00 25.00 O ATOM 662 CB VAL A 38 4.888 -4.571 4.754 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.595 -6.033 4.340 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.601 -4.363 6.180 1.00 25.00 C ATOM 0 H VAL A 38 5.943 -2.289 5.290 1.00 25.00 H new ATOM 0 HA VAL A 38 7.051 -4.818 4.954 1.00 25.00 H new ATOM 0 HB VAL A 38 4.228 -3.926 4.174 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.563 -6.281 4.586 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.749 -6.145 3.267 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.267 -6.704 4.875 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.571 -4.651 6.390 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.277 -4.972 6.780 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.742 -3.311 6.430 1.00 25.00 H new ATOM 674 N LYS A 39 5.853 -3.251 2.276 1.00 25.00 N ATOM 675 CA LYS A 39 5.715 -3.291 0.840 1.00 25.00 C ATOM 676 C LYS A 39 7.093 -3.357 0.174 1.00 25.00 C ATOM 677 O LYS A 39 7.261 -4.006 -0.853 1.00 25.00 O ATOM 678 CB LYS A 39 4.939 -2.056 0.353 1.00 25.00 C ATOM 679 CG LYS A 39 4.689 -2.000 -1.163 1.00 25.00 C ATOM 680 CD LYS A 39 4.974 -0.602 -1.751 1.00 25.00 C ATOM 681 CE LYS A 39 6.459 -0.179 -1.639 1.00 25.00 C ATOM 682 NZ LYS A 39 7.406 -1.097 -2.362 1.00 25.00 N ATOM 0 H LYS A 39 5.478 -2.412 2.719 1.00 25.00 H new ATOM 0 HA LYS A 39 5.158 -4.186 0.563 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.978 -2.025 0.866 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.487 -1.162 0.649 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.320 -2.737 -1.661 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.654 -2.275 -1.369 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.679 -0.590 -2.800 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.355 0.133 -1.237 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.571 0.830 -2.036 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.738 -0.140 -0.586 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 8.386 -0.824 -2.147 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 7.244 -2.077 -2.052 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.243 -1.026 -3.387 1.00 25.00 H new ATOM 696 N ASP A 40 8.065 -2.665 0.747 1.00 25.00 N ATOM 697 CA ASP A 40 9.420 -2.642 0.194 1.00 25.00 C ATOM 698 C ASP A 40 10.179 -3.945 0.431 1.00 25.00 C ATOM 699 O ASP A 40 10.695 -4.540 -0.506 1.00 25.00 O ATOM 700 CB ASP A 40 10.219 -1.480 0.797 1.00 25.00 C ATOM 701 CG ASP A 40 10.572 -0.416 -0.233 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.812 -0.253 -1.219 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.590 0.276 -0.046 1.00 25.00 O ATOM 0 H ASP A 40 7.946 -2.110 1.595 1.00 25.00 H new ATOM 0 HA ASP A 40 9.313 -2.512 -0.883 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.641 -1.025 1.601 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.135 -1.867 1.243 1.00 25.00 H new ATOM 708 N THR A 41 10.255 -4.393 1.679 1.00 25.00 N ATOM 709 CA THR A 41 11.020 -5.604 2.000 1.00 25.00 C ATOM 710 C THR A 41 10.306 -6.869 1.522 1.00 25.00 C ATOM 711 O THR A 41 10.925 -7.899 1.266 1.00 25.00 O ATOM 712 CB THR A 41 11.253 -5.708 3.523 1.00 25.00 C ATOM 713 OG1 THR A 41 11.537 -4.408 4.045 1.00 25.00 O ATOM 714 CG2 THR A 41 12.432 -6.610 3.848 1.00 25.00 C ATOM 0 H THR A 41 9.805 -3.947 2.479 1.00 25.00 H new ATOM 0 HA THR A 41 11.975 -5.525 1.481 1.00 25.00 H new ATOM 0 HB THR A 41 10.351 -6.128 3.969 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.697 -3.936 4.223 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.566 -6.659 4.929 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.242 -7.611 3.460 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.335 -6.208 3.389 1.00 25.00 H new ATOM 722 N CYS A 42 8.989 -6.793 1.420 1.00 25.00 N ATOM 723 CA CYS A 42 8.168 -7.924 1.001 1.00 25.00 C ATOM 724 C CYS A 42 7.216 -7.575 -0.141 1.00 25.00 C ATOM 725 O CYS A 42 6.002 -7.497 0.066 1.00 25.00 O ATOM 726 CB CYS A 42 7.342 -8.425 2.185 1.00 25.00 C ATOM 727 SG CYS A 42 8.342 -8.911 3.573 1.00 25.00 S ATOM 0 H CYS A 42 8.457 -5.947 1.625 1.00 25.00 H new ATOM 0 HA CYS A 42 8.852 -8.693 0.643 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.652 -7.641 2.498 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.736 -9.273 1.866 1.00 25.00 H new ATOM 0 HG CYS A 42 9.383 -9.566 3.150 1.00 25.00 H new ATOM 733 N PRO A 43 7.731 -7.442 -1.375 1.00 25.00 N ATOM 734 CA PRO A 43 6.810 -7.155 -2.485 1.00 25.00 C ATOM 735 C PRO A 43 5.918 -8.357 -2.807 1.00 25.00 C ATOM 736 O PRO A 43 4.867 -8.232 -3.424 1.00 25.00 O ATOM 737 CB PRO A 43 7.760 -6.829 -3.639 1.00 25.00 C ATOM 738 CG PRO A 43 8.981 -7.634 -3.344 1.00 25.00 C ATOM 739 CD PRO A 43 9.126 -7.567 -1.844 1.00 25.00 C ATOM 0 HA PRO A 43 6.111 -6.348 -2.264 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.326 -7.101 -4.601 1.00 25.00 H new ATOM 0 HB3 PRO A 43 7.986 -5.763 -3.681 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.870 -8.663 -3.686 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.857 -7.224 -3.846 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.606 -8.461 -1.446 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.732 -6.715 -1.536 1.00 25.00 H new ATOM 747 N TRP A 44 6.325 -9.519 -2.320 1.00 25.00 N ATOM 748 CA TRP A 44 5.557 -10.746 -2.465 1.00 25.00 C ATOM 749 C TRP A 44 4.408 -10.847 -1.455 1.00 25.00 C ATOM 750 O TRP A 44 3.562 -11.722 -1.570 1.00 25.00 O ATOM 751 CB TRP A 44 6.494 -11.938 -2.319 1.00 25.00 C ATOM 752 CG TRP A 44 7.587 -11.671 -1.343 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.471 -11.524 -0.009 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.987 -11.479 -1.631 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.677 -11.276 0.582 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.639 -11.229 -0.388 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.753 -11.475 -2.814 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.020 -10.974 -0.300 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.146 -11.222 -2.729 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.763 -10.973 -1.467 1.00 25.00 C ATOM 0 H TRP A 44 7.201 -9.638 -1.811 1.00 25.00 H new ATOM 0 HA TRP A 44 5.101 -10.740 -3.455 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.925 -12.810 -1.996 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.926 -12.181 -3.290 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.537 -11.594 0.528 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.834 -11.147 1.582 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.287 -11.662 -3.770 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.488 -10.784 0.655 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.745 -11.218 -3.628 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.825 -10.781 -1.422 1.00 25.00 H new ATOM 771 N PHE A 45 4.349 -9.956 -0.474 1.00 25.00 N ATOM 772 CA PHE A 45 3.228 -9.983 0.471 1.00 25.00 C ATOM 773 C PHE A 45 1.933 -9.467 -0.191 1.00 25.00 C ATOM 774 O PHE A 45 0.921 -10.178 -0.190 1.00 25.00 O ATOM 775 CB PHE A 45 3.539 -9.200 1.753 1.00 25.00 C ATOM 776 CG PHE A 45 2.451 -9.296 2.787 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.296 -8.498 2.689 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.564 -10.196 3.859 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.262 -8.608 3.641 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.540 -10.293 4.831 1.00 25.00 C ATOM 781 CZ PHE A 45 0.387 -9.502 4.718 1.00 25.00 C ATOM 0 H PHE A 45 5.040 -9.224 -0.309 1.00 25.00 H new ATOM 0 HA PHE A 45 3.074 -11.023 0.757 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.471 -9.571 2.180 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.699 -8.152 1.501 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.201 -7.794 1.876 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.441 -10.820 3.943 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.628 -8.004 3.542 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.646 -10.977 5.660 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.400 -9.580 5.454 1.00 25.00 H new ATOM 791 N PRO A 46 1.946 -8.254 -0.805 1.00 25.00 N ATOM 792 CA PRO A 46 0.679 -7.905 -1.457 1.00 25.00 C ATOM 793 C PRO A 46 0.380 -8.756 -2.691 1.00 25.00 C ATOM 794 O PRO A 46 -0.759 -8.825 -3.127 1.00 25.00 O ATOM 795 CB PRO A 46 0.882 -6.432 -1.830 1.00 25.00 C ATOM 796 CG PRO A 46 2.324 -6.312 -2.051 1.00 25.00 C ATOM 797 CD PRO A 46 2.930 -7.163 -0.970 1.00 25.00 C ATOM 0 HA PRO A 46 -0.178 -8.083 -0.808 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.319 -6.167 -2.725 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.545 -5.769 -1.033 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.607 -6.665 -3.043 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.654 -5.276 -1.976 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.909 -7.545 -1.260 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.067 -6.602 -0.046 1.00 25.00 H new ATOM 805 N GLN A 47 1.391 -9.446 -3.207 1.00 25.00 N ATOM 806 CA GLN A 47 1.210 -10.371 -4.324 1.00 25.00 C ATOM 807 C GLN A 47 0.314 -11.548 -3.917 1.00 25.00 C ATOM 808 O GLN A 47 -0.531 -11.982 -4.691 1.00 25.00 O ATOM 809 CB GLN A 47 2.576 -10.889 -4.780 1.00 25.00 C ATOM 810 CG GLN A 47 2.555 -11.665 -6.085 1.00 25.00 C ATOM 811 CD GLN A 47 3.939 -12.134 -6.489 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.859 -12.161 -5.684 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.095 -12.493 -7.734 1.00 25.00 N ATOM 0 H GLN A 47 2.351 -9.383 -2.868 1.00 25.00 H new ATOM 0 HA GLN A 47 0.725 -9.841 -5.144 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.254 -10.042 -4.887 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.986 -11.529 -3.999 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.895 -12.527 -5.984 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.140 -11.037 -6.874 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.305 -12.458 -8.378 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.007 -12.809 -8.063 1.00 25.00 H new ATOM 822 N GLU A 48 0.468 -12.042 -2.691 1.00 25.00 N ATOM 823 CA GLU A 48 -0.418 -13.102 -2.195 1.00 25.00 C ATOM 824 C GLU A 48 -1.803 -12.510 -1.969 1.00 25.00 C ATOM 825 O GLU A 48 -2.827 -13.176 -2.152 1.00 25.00 O ATOM 826 CB GLU A 48 0.081 -13.688 -0.868 1.00 25.00 C ATOM 827 CG GLU A 48 1.349 -14.520 -0.977 1.00 25.00 C ATOM 828 CD GLU A 48 1.611 -15.308 0.298 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.859 -16.274 0.562 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.534 -14.945 1.068 1.00 25.00 O ATOM 0 H GLU A 48 1.182 -11.735 -2.031 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.439 -13.901 -2.936 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.258 -12.870 -0.169 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.708 -14.307 -0.441 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.263 -15.207 -1.819 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.197 -13.867 -1.183 1.00 25.00 H new ATOM 837 N GLY A 49 -1.820 -11.254 -1.540 1.00 25.00 N ATOM 838 CA GLY A 49 -3.066 -10.539 -1.316 1.00 25.00 C ATOM 839 C GLY A 49 -3.979 -11.232 -0.325 1.00 25.00 C ATOM 840 O GLY A 49 -5.201 -11.175 -0.450 1.00 25.00 O ATOM 0 H GLY A 49 -0.981 -10.710 -1.340 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.842 -9.535 -0.954 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.589 -10.426 -2.266 1.00 25.00 H new ATOM 844 N THR A 50 -3.377 -11.927 0.626 1.00 25.00 N ATOM 845 CA THR A 50 -4.109 -12.699 1.624 1.00 25.00 C ATOM 846 C THR A 50 -3.595 -12.290 2.991 1.00 25.00 C ATOM 847 O THR A 50 -2.381 -12.248 3.209 1.00 25.00 O ATOM 848 CB THR A 50 -3.876 -14.209 1.426 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.228 -14.577 0.088 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.723 -15.027 2.390 1.00 25.00 C ATOM 0 H THR A 50 -2.363 -11.974 0.730 1.00 25.00 H new ATOM 0 HA THR A 50 -5.177 -12.504 1.529 1.00 25.00 H new ATOM 0 HB THR A 50 -2.823 -14.414 1.617 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.616 -14.143 -0.542 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.537 -16.089 2.227 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.461 -14.766 3.416 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.778 -14.813 2.219 1.00 25.00 H new ATOM 858 N ILE A 51 -4.497 -11.969 3.905 1.00 25.00 N ATOM 859 CA ILE A 51 -4.106 -11.501 5.227 1.00 25.00 C ATOM 860 C ILE A 51 -4.338 -12.596 6.245 1.00 25.00 C ATOM 861 O ILE A 51 -5.455 -12.931 6.627 1.00 25.00 O ATOM 862 CB ILE A 51 -4.851 -10.221 5.636 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.682 -9.124 4.576 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.340 -9.688 7.011 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.257 -8.757 4.201 1.00 25.00 C ATOM 0 H ILE A 51 -5.505 -12.024 3.757 1.00 25.00 H new ATOM 0 HA ILE A 51 -3.045 -11.253 5.191 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.907 -10.477 5.723 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -5.202 -9.441 3.672 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.183 -8.224 4.933 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.885 -8.782 7.275 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.502 -10.445 7.778 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.275 -9.464 6.942 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.270 -7.972 3.445 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.729 -8.400 5.085 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.748 -9.635 3.804 1.00 25.00 H new ATOM 877 N ASP A 52 -3.227 -13.143 6.687 1.00 25.00 N ATOM 878 CA ASP A 52 -3.203 -14.214 7.669 1.00 25.00 C ATOM 879 C ASP A 52 -1.970 -13.979 8.489 1.00 25.00 C ATOM 880 O ASP A 52 -1.021 -13.340 8.037 1.00 25.00 O ATOM 881 CB ASP A 52 -3.088 -15.567 6.973 1.00 25.00 C ATOM 882 CG ASP A 52 -3.350 -16.756 7.890 1.00 25.00 C ATOM 883 OD1 ASP A 52 -3.659 -16.591 9.086 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.139 -17.885 7.410 1.00 25.00 O ATOM 0 H ASP A 52 -2.300 -12.855 6.373 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.111 -14.221 8.272 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.793 -15.599 6.142 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.089 -15.662 6.547 1.00 25.00 H new ATOM 889 N ILE A 53 -1.957 -14.548 9.670 1.00 25.00 N ATOM 890 CA ILE A 53 -0.818 -14.441 10.558 1.00 25.00 C ATOM 891 C ILE A 53 0.342 -15.208 9.949 1.00 25.00 C ATOM 892 O ILE A 53 1.493 -14.845 10.122 1.00 25.00 O ATOM 893 CB ILE A 53 -1.192 -14.955 11.969 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.118 -14.584 13.006 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.450 -16.478 11.990 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.021 -13.095 13.255 1.00 25.00 C ATOM 0 H ILE A 53 -2.731 -15.097 10.044 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.516 -13.400 10.675 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.124 -14.458 12.239 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.354 -15.078 13.949 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.843 -14.976 12.673 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.709 -16.789 13.002 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.272 -16.717 11.316 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.551 -17.004 11.667 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.799 -12.922 13.999 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.290 -12.594 12.325 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.926 -12.697 13.621 1.00 25.00 H new ATOM 908 N LYS A 54 0.023 -16.232 9.167 1.00 25.00 N ATOM 909 CA LYS A 54 1.041 -17.035 8.493 1.00 25.00 C ATOM 910 C LYS A 54 1.751 -16.205 7.432 1.00 25.00 C ATOM 911 O LYS A 54 2.955 -16.306 7.261 1.00 25.00 O ATOM 912 CB LYS A 54 0.397 -18.266 7.851 1.00 25.00 C ATOM 913 CG LYS A 54 -0.358 -19.150 8.847 1.00 25.00 C ATOM 914 CD LYS A 54 -0.988 -20.350 8.141 1.00 25.00 C ATOM 915 CE LYS A 54 -2.097 -21.001 8.983 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.293 -20.086 9.150 1.00 25.00 N ATOM 0 H LYS A 54 -0.935 -16.528 8.982 1.00 25.00 H new ATOM 0 HA LYS A 54 1.774 -17.362 9.230 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.292 -17.941 7.071 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.171 -18.860 7.365 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.325 -19.496 9.623 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.133 -18.566 9.343 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.400 -20.031 7.184 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.216 -21.089 7.925 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.414 -21.930 8.509 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -1.701 -21.263 9.964 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.243 -19.615 10.076 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.290 -19.369 8.397 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.168 -20.645 9.092 1.00 25.00 H new ATOM 930 N ARG A 55 1.004 -15.344 6.755 1.00 25.00 N ATOM 931 CA ARG A 55 1.594 -14.446 5.760 1.00 25.00 C ATOM 932 C ARG A 55 2.379 -13.366 6.476 1.00 25.00 C ATOM 933 O ARG A 55 3.447 -12.968 6.037 1.00 25.00 O ATOM 934 CB ARG A 55 0.511 -13.799 4.885 1.00 25.00 C ATOM 935 CG ARG A 55 0.190 -14.583 3.631 1.00 25.00 C ATOM 936 CD ARG A 55 -0.857 -15.661 3.847 1.00 25.00 C ATOM 937 NE ARG A 55 -0.957 -16.477 2.635 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.824 -17.450 2.414 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.724 -17.815 3.296 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.773 -18.067 1.269 1.00 25.00 N ATOM 0 H ARG A 55 -0.004 -15.245 6.872 1.00 25.00 H new ATOM 0 HA ARG A 55 2.251 -15.026 5.112 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.399 -13.685 5.474 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.835 -12.797 4.603 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -0.160 -13.896 2.861 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.104 -15.044 3.255 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.586 -16.284 4.699 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.822 -15.209 4.077 1.00 25.00 H new ATOM 0 HE ARG A 55 -0.292 -16.275 1.888 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.775 -17.342 4.198 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -3.372 -18.572 3.080 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -1.078 -17.795 0.574 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.428 -18.822 1.067 1.00 25.00 H new ATOM 954 N TRP A 56 1.857 -12.913 7.605 1.00 25.00 N ATOM 955 CA TRP A 56 2.517 -11.876 8.388 1.00 25.00 C ATOM 956 C TRP A 56 3.863 -12.348 8.938 1.00 25.00 C ATOM 957 O TRP A 56 4.774 -11.542 9.099 1.00 25.00 O ATOM 958 CB TRP A 56 1.598 -11.415 9.520 1.00 25.00 C ATOM 959 CG TRP A 56 1.999 -10.089 10.104 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.346 -9.829 11.387 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.111 -8.823 9.416 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.664 -8.514 11.567 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.545 -7.861 10.376 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.898 -8.403 8.087 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.779 -6.514 10.043 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.134 -7.044 7.747 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.568 -6.115 8.736 1.00 25.00 C ATOM 0 H TRP A 56 0.978 -13.246 8.001 1.00 25.00 H new ATOM 0 HA TRP A 56 2.720 -11.033 7.728 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.577 -11.346 9.145 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.598 -12.167 10.309 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.368 -10.571 12.171 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.945 -8.088 12.450 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.560 -9.104 7.338 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.115 -5.810 10.789 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.983 -6.712 6.730 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.735 -5.084 8.461 1.00 25.00 H new ATOM 978 N ARG A 57 4.017 -13.654 9.157 1.00 25.00 N ATOM 979 CA ARG A 57 5.312 -14.208 9.597 1.00 25.00 C ATOM 980 C ARG A 57 6.382 -13.817 8.648 1.00 25.00 C ATOM 981 O ARG A 57 7.402 -13.283 9.034 1.00 25.00 O ATOM 982 CB ARG A 57 5.327 -15.750 9.622 1.00 25.00 C ATOM 983 CG ARG A 57 4.348 -16.399 10.536 1.00 25.00 C ATOM 984 CD ARG A 57 4.362 -15.820 11.926 1.00 25.00 C ATOM 985 NE ARG A 57 5.245 -16.572 12.849 1.00 25.00 N ATOM 986 CZ ARG A 57 6.570 -16.420 12.960 1.00 25.00 C ATOM 987 NH1 ARG A 57 7.255 -15.557 12.254 1.00 25.00 N ATOM 988 NH2 ARG A 57 7.224 -17.171 13.802 1.00 25.00 N ATOM 0 H ARG A 57 3.276 -14.346 9.041 1.00 25.00 H new ATOM 0 HA ARG A 57 5.471 -13.815 10.601 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.144 -16.111 8.610 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.328 -16.079 9.902 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.347 -16.298 10.117 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.564 -17.466 10.591 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.691 -14.782 11.880 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.347 -15.815 12.324 1.00 25.00 H new ATOM 0 HE ARG A 57 4.804 -17.266 13.452 1.00 25.00 H new ATOM 0 HH11 ARG A 57 6.779 -14.959 11.579 1.00 25.00 H new ATOM 0 HH12 ARG A 57 8.265 -15.483 12.379 1.00 25.00 H new ATOM 0 HH21 ARG A 57 6.725 -17.861 14.364 1.00 25.00 H new ATOM 0 HH22 ARG A 57 8.234 -17.068 13.899 1.00 25.00 H new ATOM 1002 N ARG A 58 6.093 -14.088 7.393 1.00 25.00 N ATOM 1003 CA ARG A 58 7.050 -13.861 6.301 1.00 25.00 C ATOM 1004 C ARG A 58 7.601 -12.444 6.299 1.00 25.00 C ATOM 1005 O ARG A 58 8.730 -12.227 5.908 1.00 25.00 O ATOM 1006 CB ARG A 58 6.424 -14.165 4.932 1.00 25.00 C ATOM 1007 CG ARG A 58 5.772 -15.545 4.836 1.00 25.00 C ATOM 1008 CD ARG A 58 5.869 -16.149 3.423 1.00 25.00 C ATOM 1009 NE ARG A 58 5.222 -15.340 2.366 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.853 -14.622 1.441 1.00 25.00 C ATOM 1011 NH1 ARG A 58 7.161 -14.525 1.384 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.145 -13.998 0.548 1.00 25.00 N ATOM 0 H ARG A 58 5.197 -14.470 7.089 1.00 25.00 H new ATOM 0 HA ARG A 58 7.877 -14.549 6.479 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.675 -13.405 4.710 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.195 -14.085 4.166 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.249 -16.218 5.548 1.00 25.00 H new ATOM 0 HG3 ARG A 58 4.723 -15.468 5.123 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.921 -16.282 3.169 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.416 -17.140 3.433 1.00 25.00 H new ATOM 0 HE ARG A 58 4.202 -15.332 2.345 1.00 25.00 H new ATOM 0 HH11 ARG A 58 7.739 -15.013 2.068 1.00 25.00 H new ATOM 0 HH12 ARG A 58 7.599 -13.962 0.655 1.00 25.00 H new ATOM 0 HH21 ARG A 58 4.127 -14.065 0.566 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.607 -13.441 -0.171 1.00 25.00 H new ATOM 1026 N VAL A 59 6.813 -11.486 6.758 1.00 25.00 N ATOM 1027 CA VAL A 59 7.256 -10.097 6.821 1.00 25.00 C ATOM 1028 C VAL A 59 8.295 -9.883 7.920 1.00 25.00 C ATOM 1029 O VAL A 59 9.304 -9.215 7.721 1.00 25.00 O ATOM 1030 CB VAL A 59 6.062 -9.150 7.090 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.509 -7.706 7.063 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.966 -9.384 6.064 1.00 25.00 C ATOM 0 H VAL A 59 5.862 -11.641 7.093 1.00 25.00 H new ATOM 0 HA VAL A 59 7.705 -9.870 5.854 1.00 25.00 H new ATOM 0 HB VAL A 59 5.666 -9.367 8.082 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.654 -7.057 7.254 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.266 -7.545 7.831 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.929 -7.473 6.085 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.131 -8.712 6.264 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.356 -9.191 5.065 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.623 -10.417 6.127 1.00 25.00 H new ATOM 1042 N GLY A 60 8.042 -10.455 9.085 1.00 25.00 N ATOM 1043 CA GLY A 60 8.947 -10.284 10.206 1.00 25.00 C ATOM 1044 C GLY A 60 10.199 -11.101 9.995 1.00 25.00 C ATOM 1045 O GLY A 60 11.292 -10.680 10.351 1.00 25.00 O ATOM 0 H GLY A 60 7.226 -11.036 9.277 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.206 -9.231 10.317 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.456 -10.590 11.129 1.00 25.00 H new ATOM 1049 N ASP A 61 10.030 -12.253 9.366 1.00 25.00 N ATOM 1050 CA ASP A 61 11.144 -13.139 9.047 1.00 25.00 C ATOM 1051 C ASP A 61 12.050 -12.413 8.040 1.00 25.00 C ATOM 1052 O ASP A 61 13.270 -12.451 8.139 1.00 25.00 O ATOM 1053 CB ASP A 61 10.620 -14.462 8.454 1.00 25.00 C ATOM 1054 CG ASP A 61 9.663 -15.215 9.404 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.746 -15.055 10.648 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.775 -15.937 8.884 1.00 25.00 O ATOM 0 H ASP A 61 9.121 -12.602 9.062 1.00 25.00 H new ATOM 0 HA ASP A 61 11.708 -13.382 9.948 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.103 -14.254 7.517 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.466 -15.106 8.215 1.00 25.00 H new ATOM 1061 N CYS A 62 11.436 -11.674 7.123 1.00 25.00 N ATOM 1062 CA CYS A 62 12.177 -10.864 6.155 1.00 25.00 C ATOM 1063 C CYS A 62 12.988 -9.776 6.848 1.00 25.00 C ATOM 1064 O CYS A 62 14.152 -9.554 6.520 1.00 25.00 O ATOM 1065 CB CYS A 62 11.208 -10.182 5.189 1.00 25.00 C ATOM 1066 SG CYS A 62 11.361 -10.716 3.475 1.00 25.00 S ATOM 0 H CYS A 62 10.422 -11.617 7.027 1.00 25.00 H new ATOM 0 HA CYS A 62 12.849 -11.535 5.620 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.188 -10.369 5.525 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.366 -9.105 5.236 1.00 25.00 H new ATOM 0 HG CYS A 62 11.243 -9.688 2.688 1.00 25.00 H new ATOM 1072 N PHE A 63 12.376 -9.082 7.802 1.00 25.00 N ATOM 1073 CA PHE A 63 13.083 -8.019 8.514 1.00 25.00 C ATOM 1074 C PHE A 63 14.236 -8.621 9.295 1.00 25.00 C ATOM 1075 O PHE A 63 15.292 -8.016 9.397 1.00 25.00 O ATOM 1076 CB PHE A 63 12.180 -7.289 9.513 1.00 25.00 C ATOM 1077 CG PHE A 63 10.992 -6.575 8.900 1.00 25.00 C ATOM 1078 CD1 PHE A 63 11.023 -6.067 7.581 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.831 -6.377 9.673 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.903 -5.381 7.042 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.714 -5.683 9.148 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.751 -5.190 7.827 1.00 25.00 C ATOM 0 H PHE A 63 11.411 -9.230 8.097 1.00 25.00 H new ATOM 0 HA PHE A 63 13.428 -7.306 7.765 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.814 -8.011 10.243 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.781 -6.561 10.058 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.908 -6.202 6.977 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.792 -6.761 10.682 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.935 -5.006 6.030 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.836 -5.531 9.758 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.898 -4.668 7.419 1.00 25.00 H new ATOM 1092 N GLN A 64 14.024 -9.806 9.852 1.00 25.00 N ATOM 1093 CA GLN A 64 15.050 -10.476 10.640 1.00 25.00 C ATOM 1094 C GLN A 64 16.249 -10.808 9.774 1.00 25.00 C ATOM 1095 O GLN A 64 17.372 -10.571 10.172 1.00 25.00 O ATOM 1096 CB GLN A 64 14.494 -11.768 11.252 1.00 25.00 C ATOM 1097 CG GLN A 64 15.508 -12.560 12.072 1.00 25.00 C ATOM 1098 CD GLN A 64 14.946 -13.885 12.524 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.429 -14.011 13.626 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.033 -14.875 11.674 1.00 25.00 N ATOM 0 H GLN A 64 13.149 -10.324 9.772 1.00 25.00 H new ATOM 0 HA GLN A 64 15.359 -9.802 11.439 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.645 -11.519 11.888 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.117 -12.403 10.451 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.405 -12.729 11.477 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.808 -11.976 12.942 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.472 -14.729 10.765 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.662 -15.793 11.920 1.00 25.00 H new ATOM 1109 N ASP A 65 16.021 -11.365 8.598 1.00 25.00 N ATOM 1110 CA ASP A 65 17.133 -11.779 7.745 1.00 25.00 C ATOM 1111 C ASP A 65 17.860 -10.569 7.164 1.00 25.00 C ATOM 1112 O ASP A 65 19.084 -10.568 7.043 1.00 25.00 O ATOM 1113 CB ASP A 65 16.633 -12.687 6.624 1.00 25.00 C ATOM 1114 CG ASP A 65 16.246 -14.078 7.126 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.576 -14.421 8.291 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.630 -14.836 6.348 1.00 25.00 O ATOM 0 H ASP A 65 15.094 -11.541 8.212 1.00 25.00 H new ATOM 0 HA ASP A 65 17.841 -12.336 8.359 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.771 -12.225 6.144 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.409 -12.781 5.864 1.00 25.00 H new ATOM 1121 N TYR A 66 17.126 -9.512 6.854 1.00 25.00 N ATOM 1122 CA TYR A 66 17.748 -8.283 6.361 1.00 25.00 C ATOM 1123 C TYR A 66 18.587 -7.656 7.487 1.00 25.00 C ATOM 1124 O TYR A 66 19.694 -7.161 7.261 1.00 25.00 O ATOM 1125 CB TYR A 66 16.668 -7.313 5.871 1.00 25.00 C ATOM 1126 CG TYR A 66 17.173 -6.248 4.912 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.032 -5.214 5.347 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.788 -6.267 3.555 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.485 -4.214 4.446 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.245 -5.268 2.652 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.083 -4.251 3.109 1.00 25.00 C ATOM 1132 OH TYR A 66 18.515 -3.280 2.243 1.00 25.00 O ATOM 0 H TYR A 66 16.110 -9.475 6.932 1.00 25.00 H new ATOM 0 HA TYR A 66 18.404 -8.508 5.520 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.880 -7.883 5.380 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.217 -6.824 6.734 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.349 -5.184 6.379 1.00 25.00 H new ATOM 0 HD2 TYR A 66 16.137 -7.051 3.197 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.138 -3.427 4.794 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.944 -5.297 1.615 1.00 25.00 H new ATOM 0 HH TYR A 66 18.147 -3.450 1.351 1.00 25.00 H new ATOM 1142 N PHE A 67 18.081 -7.735 8.712 1.00 25.00 N ATOM 1143 CA PHE A 67 18.814 -7.254 9.890 1.00 25.00 C ATOM 1144 C PHE A 67 20.064 -8.112 10.087 1.00 25.00 C ATOM 1145 O PHE A 67 21.133 -7.601 10.360 1.00 25.00 O ATOM 1146 CB PHE A 67 17.899 -7.345 11.124 1.00 25.00 C ATOM 1147 CG PHE A 67 18.504 -6.809 12.398 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.510 -7.523 13.082 1.00 25.00 C ATOM 1149 CD2 PHE A 67 18.030 -5.607 12.952 1.00 25.00 C ATOM 1150 CE1 PHE A 67 20.046 -7.035 14.298 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.544 -5.120 14.175 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.560 -5.833 14.845 1.00 25.00 C ATOM 0 H PHE A 67 17.163 -8.128 8.922 1.00 25.00 H new ATOM 0 HA PHE A 67 19.116 -6.216 9.749 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.978 -6.800 10.918 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.624 -8.388 11.279 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.876 -8.453 12.673 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.263 -5.048 12.436 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.826 -7.584 14.805 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.159 -4.203 14.596 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.963 -5.458 15.774 1.00 25.00 H new ATOM 1162 N ASN A 68 19.913 -9.416 9.923 1.00 25.00 N ATOM 1163 CA ASN A 68 21.000 -10.382 10.102 1.00 25.00 C ATOM 1164 C ASN A 68 22.129 -10.153 9.090 1.00 25.00 C ATOM 1165 O ASN A 68 23.289 -10.429 9.359 1.00 25.00 O ATOM 1166 CB ASN A 68 20.407 -11.787 9.925 1.00 25.00 C ATOM 1167 CG ASN A 68 21.292 -12.878 10.450 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.242 -12.653 11.174 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.933 -14.091 10.128 1.00 25.00 N ATOM 0 H ASN A 68 19.026 -9.844 9.659 1.00 25.00 H new ATOM 0 HA ASN A 68 21.434 -10.264 11.095 1.00 25.00 H new ATOM 0 HB2 ASN A 68 19.444 -11.834 10.434 1.00 25.00 H new ATOM 0 HB3 ASN A 68 20.216 -11.962 8.866 1.00 25.00 H new ATOM 0 HD21 ASN A 68 21.456 -14.890 10.487 1.00 25.00 H new ATOM 0 HD22 ASN A 68 20.130 -14.240 9.518 1.00 25.00 H new ATOM 1176 N THR A 69 21.777 -9.626 7.927 1.00 25.00 N ATOM 1177 CA THR A 69 22.759 -9.351 6.880 1.00 25.00 C ATOM 1178 C THR A 69 23.717 -8.215 7.273 1.00 25.00 C ATOM 1179 O THR A 69 24.910 -8.278 6.973 1.00 25.00 O ATOM 1180 CB THR A 69 22.047 -8.970 5.549 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.095 -9.982 5.206 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.030 -8.870 4.391 1.00 25.00 C ATOM 0 H THR A 69 20.819 -9.379 7.681 1.00 25.00 H new ATOM 0 HA THR A 69 23.339 -10.264 6.746 1.00 25.00 H new ATOM 0 HB THR A 69 21.569 -8.003 5.708 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.388 -10.009 5.884 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.494 -8.602 3.481 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.775 -8.106 4.611 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.526 -9.830 4.251 1.00 25.00 H new ATOM 1190 N PHE A 70 23.197 -7.161 7.897 1.00 25.00 N ATOM 1191 CA PHE A 70 24.027 -5.996 8.243 1.00 25.00 C ATOM 1192 C PHE A 70 24.017 -5.513 9.697 1.00 25.00 C ATOM 1193 O PHE A 70 25.073 -5.248 10.264 1.00 25.00 O ATOM 1194 CB PHE A 70 23.609 -4.822 7.372 1.00 25.00 C ATOM 1195 CG PHE A 70 24.055 -4.935 5.945 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.408 -4.741 5.607 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.130 -5.221 4.924 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.838 -4.826 4.261 1.00 25.00 C ATOM 1199 CE2 PHE A 70 23.545 -5.304 3.573 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.903 -5.106 3.242 1.00 25.00 C ATOM 0 H PHE A 70 22.218 -7.083 8.173 1.00 25.00 H new ATOM 0 HA PHE A 70 25.043 -6.352 8.073 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.523 -4.732 7.397 1.00 25.00 H new ATOM 0 HB3 PHE A 70 24.014 -3.904 7.798 1.00 25.00 H new ATOM 0 HD1 PHE A 70 26.126 -4.525 6.384 1.00 25.00 H new ATOM 0 HD2 PHE A 70 22.091 -5.379 5.174 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.879 -4.677 4.015 1.00 25.00 H new ATOM 0 HE2 PHE A 70 22.824 -5.518 2.798 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.225 -5.169 2.213 1.00 25.00 H new ATOM 1210 N GLY A 71 22.834 -5.365 10.281 1.00 25.00 N ATOM 1211 CA GLY A 71 22.716 -4.825 11.627 1.00 25.00 C ATOM 1212 C GLY A 71 21.537 -3.875 11.806 1.00 25.00 C ATOM 1213 O GLY A 71 20.715 -3.700 10.887 1.00 25.00 O ATOM 0 H GLY A 71 21.946 -5.611 9.844 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.617 -5.650 12.332 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.637 -4.299 11.880 1.00 25.00 H new ATOM 1217 N PRO A 72 21.414 -3.230 12.985 1.00 25.00 N ATOM 1218 CA PRO A 72 20.291 -2.331 13.302 1.00 25.00 C ATOM 1219 C PRO A 72 20.294 -1.004 12.554 1.00 25.00 C ATOM 1220 O PRO A 72 19.303 -0.278 12.556 1.00 25.00 O ATOM 1221 CB PRO A 72 20.462 -2.099 14.805 1.00 25.00 C ATOM 1222 CG PRO A 72 21.919 -2.202 15.021 1.00 25.00 C ATOM 1223 CD PRO A 72 22.343 -3.338 14.128 1.00 25.00 C ATOM 0 HA PRO A 72 19.343 -2.777 13.003 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.083 -1.122 15.103 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.919 -2.843 15.388 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.428 -1.275 14.756 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.154 -2.407 16.066 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.382 -3.238 13.814 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.253 -4.301 14.631 1.00 25.00 H new ATOM 1231 N GLU A 73 21.399 -0.683 11.904 1.00 25.00 N ATOM 1232 CA GLU A 73 21.490 0.537 11.111 1.00 25.00 C ATOM 1233 C GLU A 73 20.866 0.330 9.731 1.00 25.00 C ATOM 1234 O GLU A 73 20.630 1.288 8.999 1.00 25.00 O ATOM 1235 CB GLU A 73 22.950 1.006 11.004 1.00 25.00 C ATOM 1236 CG GLU A 73 23.867 0.181 10.091 1.00 25.00 C ATOM 1237 CD GLU A 73 23.993 -1.272 10.514 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.046 -1.561 11.729 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.957 -2.130 9.621 1.00 25.00 O ATOM 0 H GLU A 73 22.248 -1.249 11.908 1.00 25.00 H new ATOM 0 HA GLU A 73 20.926 1.322 11.615 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.953 2.037 10.649 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.381 1.012 12.005 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.484 0.223 9.071 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.858 0.635 10.078 1.00 25.00 H new ATOM 1246 N LYS A 74 20.568 -0.922 9.399 1.00 25.00 N ATOM 1247 CA LYS A 74 19.879 -1.242 8.140 1.00 25.00 C ATOM 1248 C LYS A 74 18.396 -1.468 8.356 1.00 25.00 C ATOM 1249 O LYS A 74 17.585 -0.951 7.596 1.00 25.00 O ATOM 1250 CB LYS A 74 20.493 -2.466 7.467 1.00 25.00 C ATOM 1251 CG LYS A 74 21.333 -2.119 6.240 1.00 25.00 C ATOM 1252 CD LYS A 74 22.584 -1.382 6.659 1.00 25.00 C ATOM 1253 CE LYS A 74 23.642 -1.362 5.591 1.00 25.00 C ATOM 1254 NZ LYS A 74 24.942 -1.012 6.253 1.00 25.00 N ATOM 0 H LYS A 74 20.789 -1.733 9.977 1.00 25.00 H new ATOM 0 HA LYS A 74 20.005 -0.380 7.485 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.116 -2.995 8.188 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.696 -3.149 7.173 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.600 -3.029 5.703 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.751 -1.503 5.554 1.00 25.00 H new ATOM 0 HD2 LYS A 74 22.323 -0.357 6.923 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.990 -1.849 7.556 1.00 25.00 H new ATOM 0 HE2 LYS A 74 23.710 -2.333 5.100 1.00 25.00 H new ATOM 0 HE3 LYS A 74 23.395 -0.632 4.820 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 25.699 -0.989 5.541 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 24.862 -0.078 6.703 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 25.167 -1.726 6.975 1.00 25.00 H new ATOM 1268 N VAL A 75 18.027 -2.200 9.398 1.00 25.00 N ATOM 1269 CA VAL A 75 16.609 -2.330 9.739 1.00 25.00 C ATOM 1270 C VAL A 75 16.446 -1.769 11.139 1.00 25.00 C ATOM 1271 O VAL A 75 17.155 -2.177 12.056 1.00 25.00 O ATOM 1272 CB VAL A 75 16.160 -3.822 9.737 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.668 -3.961 10.083 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.424 -4.451 8.386 1.00 25.00 C ATOM 0 H VAL A 75 18.668 -2.703 10.011 1.00 25.00 H new ATOM 0 HA VAL A 75 16.000 -1.800 9.007 1.00 25.00 H new ATOM 0 HB VAL A 75 16.741 -4.339 10.500 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.389 -5.015 10.073 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.484 -3.547 11.074 1.00 25.00 H new ATOM 0 HG13 VAL A 75 14.072 -3.420 9.348 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.105 -5.493 8.401 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.868 -3.912 7.619 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.490 -4.401 8.164 1.00 25.00 H new ATOM 1284 N PRO A 76 15.460 -0.885 11.347 1.00 25.00 N ATOM 1285 CA PRO A 76 15.359 -0.369 12.710 1.00 25.00 C ATOM 1286 C PRO A 76 14.628 -1.310 13.650 1.00 25.00 C ATOM 1287 O PRO A 76 13.720 -2.033 13.248 1.00 25.00 O ATOM 1288 CB PRO A 76 14.567 0.916 12.520 1.00 25.00 C ATOM 1289 CG PRO A 76 13.674 0.634 11.374 1.00 25.00 C ATOM 1290 CD PRO A 76 14.482 -0.242 10.445 1.00 25.00 C ATOM 0 HA PRO A 76 16.338 -0.234 13.170 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.997 1.167 13.415 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.224 1.761 12.313 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.765 0.129 11.699 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.367 1.555 10.878 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.856 -0.978 9.941 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.975 0.343 9.669 1.00 25.00 H new ATOM 1298 N VAL A 77 14.951 -1.237 14.930 1.00 25.00 N ATOM 1299 CA VAL A 77 14.263 -2.057 15.928 1.00 25.00 C ATOM 1300 C VAL A 77 12.781 -1.668 16.049 1.00 25.00 C ATOM 1301 O VAL A 77 11.944 -2.482 16.439 1.00 25.00 O ATOM 1302 CB VAL A 77 14.969 -1.980 17.310 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.378 -2.591 17.213 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.067 -0.528 17.807 1.00 25.00 C ATOM 0 H VAL A 77 15.677 -0.627 15.306 1.00 25.00 H new ATOM 0 HA VAL A 77 14.311 -3.091 15.585 1.00 25.00 H new ATOM 0 HB VAL A 77 14.372 -2.546 18.025 1.00 25.00 H new ATOM 0 HG11 VAL A 77 16.867 -2.534 18.185 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.302 -3.634 16.906 1.00 25.00 H new ATOM 0 HG13 VAL A 77 16.964 -2.039 16.479 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.566 -0.508 18.776 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.639 0.063 17.092 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.066 -0.109 17.906 1.00 25.00 H new ATOM 1314 N THR A 78 12.433 -0.449 15.650 1.00 25.00 N ATOM 1315 CA THR A 78 11.032 -0.024 15.683 1.00 25.00 C ATOM 1316 C THR A 78 10.211 -0.751 14.635 1.00 25.00 C ATOM 1317 O THR A 78 9.015 -0.922 14.807 1.00 25.00 O ATOM 1318 CB THR A 78 10.859 1.514 15.511 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.473 1.861 15.547 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.448 2.051 14.225 1.00 25.00 C ATOM 0 H THR A 78 13.087 0.254 15.305 1.00 25.00 H new ATOM 0 HA THR A 78 10.665 -0.287 16.675 1.00 25.00 H new ATOM 0 HB THR A 78 11.404 1.966 16.340 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.167 2.082 14.642 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.290 3.128 14.174 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.517 1.840 14.198 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.962 1.573 13.375 1.00 25.00 H new ATOM 1328 N ALA A 79 10.843 -1.234 13.577 1.00 25.00 N ATOM 1329 CA ALA A 79 10.102 -1.955 12.556 1.00 25.00 C ATOM 1330 C ALA A 79 9.551 -3.264 13.125 1.00 25.00 C ATOM 1331 O ALA A 79 8.428 -3.643 12.830 1.00 25.00 O ATOM 1332 CB ALA A 79 10.986 -2.208 11.369 1.00 25.00 C ATOM 0 H ALA A 79 11.844 -1.143 13.405 1.00 25.00 H new ATOM 0 HA ALA A 79 9.256 -1.350 12.231 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.425 -2.749 10.607 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.329 -1.257 10.961 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.847 -2.802 11.676 1.00 25.00 H new ATOM 1338 N PHE A 80 10.321 -3.917 13.984 1.00 25.00 N ATOM 1339 CA PHE A 80 9.870 -5.151 14.627 1.00 25.00 C ATOM 1340 C PHE A 80 8.802 -4.836 15.672 1.00 25.00 C ATOM 1341 O PHE A 80 7.873 -5.609 15.887 1.00 25.00 O ATOM 1342 CB PHE A 80 11.040 -5.861 15.308 1.00 25.00 C ATOM 1343 CG PHE A 80 12.165 -6.206 14.371 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.206 -5.290 14.147 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.198 -7.451 13.713 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.278 -5.600 13.288 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.268 -7.780 12.847 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.309 -6.850 12.630 1.00 25.00 C ATOM 0 H PHE A 80 11.258 -3.617 14.253 1.00 25.00 H new ATOM 0 HA PHE A 80 9.453 -5.803 13.859 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.425 -5.225 16.105 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.676 -6.775 15.777 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.184 -4.331 14.642 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.400 -8.161 13.871 1.00 25.00 H new ATOM 0 HE1 PHE A 80 15.073 -4.885 13.133 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.289 -8.740 12.353 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.124 -7.093 11.965 1.00 25.00 H new ATOM 1358 N SER A 81 8.930 -3.682 16.311 1.00 25.00 N ATOM 1359 CA SER A 81 7.958 -3.254 17.319 1.00 25.00 C ATOM 1360 C SER A 81 6.611 -2.978 16.654 1.00 25.00 C ATOM 1361 O SER A 81 5.568 -3.434 17.121 1.00 25.00 O ATOM 1362 CB SER A 81 8.458 -1.997 18.035 1.00 25.00 C ATOM 1363 OG SER A 81 7.544 -1.573 19.030 1.00 25.00 O ATOM 0 H SER A 81 9.693 -3.024 16.153 1.00 25.00 H new ATOM 0 HA SER A 81 7.836 -4.049 18.054 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.428 -2.197 18.491 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.606 -1.197 17.309 1.00 25.00 H new ATOM 0 HG SER A 81 7.890 -0.769 19.471 1.00 25.00 H new ATOM 1369 N TYR A 82 6.639 -2.277 15.530 1.00 25.00 N ATOM 1370 CA TYR A 82 5.426 -2.009 14.769 1.00 25.00 C ATOM 1371 C TYR A 82 4.868 -3.302 14.217 1.00 25.00 C ATOM 1372 O TYR A 82 3.669 -3.522 14.255 1.00 25.00 O ATOM 1373 CB TYR A 82 5.713 -1.059 13.614 1.00 25.00 C ATOM 1374 CG TYR A 82 5.400 0.374 13.944 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.322 1.181 14.645 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.172 0.937 13.555 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.022 2.536 14.941 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.868 2.296 13.848 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.799 3.080 14.534 1.00 25.00 C ATOM 1380 OH TYR A 82 4.514 4.393 14.808 1.00 25.00 O ATOM 0 H TYR A 82 7.488 -1.883 15.124 1.00 25.00 H new ATOM 0 HA TYR A 82 4.700 -1.547 15.438 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.763 -1.141 13.335 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.128 -1.363 12.746 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.267 0.762 14.960 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.451 0.331 13.027 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.735 3.145 15.478 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.923 2.719 13.542 1.00 25.00 H new ATOM 0 HH TYR A 82 3.752 4.683 14.264 1.00 25.00 H new ATOM 1390 N TRP A 83 5.738 -4.176 13.739 1.00 25.00 N ATOM 1391 CA TRP A 83 5.305 -5.458 13.203 1.00 25.00 C ATOM 1392 C TRP A 83 4.500 -6.216 14.246 1.00 25.00 C ATOM 1393 O TRP A 83 3.499 -6.844 13.927 1.00 25.00 O ATOM 1394 CB TRP A 83 6.521 -6.299 12.792 1.00 25.00 C ATOM 1395 CG TRP A 83 6.171 -7.642 12.225 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.902 -7.939 10.931 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.070 -8.903 12.933 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.634 -9.264 10.765 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.738 -9.895 11.969 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.230 -9.295 14.281 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.571 -11.253 12.307 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.076 -10.663 14.622 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.748 -11.628 13.625 1.00 25.00 C ATOM 0 H TRP A 83 6.746 -4.023 13.711 1.00 25.00 H new ATOM 0 HA TRP A 83 4.682 -5.273 12.328 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.100 -5.744 12.054 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.163 -6.439 13.661 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.900 -7.215 10.130 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.394 -9.713 9.881 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.466 -8.564 15.040 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.311 -11.983 11.554 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.208 -10.977 15.647 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.636 -12.665 13.904 1.00 25.00 H new ATOM 1414 N ASN A 84 4.922 -6.118 15.499 1.00 25.00 N ATOM 1415 CA ASN A 84 4.267 -6.809 16.602 1.00 25.00 C ATOM 1416 C ASN A 84 2.865 -6.266 16.868 1.00 25.00 C ATOM 1417 O ASN A 84 1.954 -7.018 17.195 1.00 25.00 O ATOM 1418 CB ASN A 84 5.112 -6.665 17.867 1.00 25.00 C ATOM 1419 CG ASN A 84 5.120 -7.912 18.702 1.00 25.00 C ATOM 1420 OD1 ASN A 84 4.260 -8.772 18.584 1.00 25.00 O ATOM 1421 ND2 ASN A 84 6.115 -8.038 19.528 1.00 25.00 N ATOM 0 H ASN A 84 5.727 -5.558 15.780 1.00 25.00 H new ATOM 0 HA ASN A 84 4.171 -7.859 16.324 1.00 25.00 H new ATOM 0 HB2 ASN A 84 6.135 -6.412 17.589 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.729 -5.836 18.462 1.00 25.00 H new ATOM 0 HD21 ASN A 84 6.196 -8.876 20.104 1.00 25.00 H new ATOM 0 HD22 ASN A 84 6.815 -7.299 19.600 1.00 25.00 H new ATOM 1428 N LEU A 85 2.688 -4.965 16.688 1.00 25.00 N ATOM 1429 CA LEU A 85 1.389 -4.323 16.897 1.00 25.00 C ATOM 1430 C LEU A 85 0.361 -4.889 15.917 1.00 25.00 C ATOM 1431 O LEU A 85 -0.761 -5.198 16.292 1.00 25.00 O ATOM 1432 CB LEU A 85 1.534 -2.799 16.732 1.00 25.00 C ATOM 1433 CG LEU A 85 0.334 -1.896 17.081 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.854 -0.490 17.399 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.699 -1.795 15.949 1.00 25.00 C ATOM 0 H LEU A 85 3.428 -4.327 16.396 1.00 25.00 H new ATOM 0 HA LEU A 85 1.038 -4.529 17.908 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.377 -2.479 17.345 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.803 -2.604 15.694 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.170 -2.346 17.937 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.015 0.160 17.648 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.539 -0.538 18.245 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.378 -0.091 16.530 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.517 -1.145 16.260 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.225 -1.381 15.059 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.090 -2.787 15.723 1.00 25.00 H new ATOM 1447 N ILE A 86 0.743 -5.053 14.660 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.181 -5.617 13.678 1.00 25.00 C ATOM 1449 C ILE A 86 -0.242 -7.135 13.869 1.00 25.00 C ATOM 1450 O ILE A 86 -1.282 -7.757 13.657 1.00 25.00 O ATOM 1451 CB ILE A 86 0.225 -5.284 12.212 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.150 -3.766 11.938 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.731 -5.975 11.229 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.425 -2.988 12.246 1.00 25.00 C ATOM 0 H ILE A 86 1.665 -4.811 14.297 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.160 -5.168 13.844 1.00 25.00 H new ATOM 0 HB ILE A 86 1.248 -5.634 12.076 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.105 -3.614 10.889 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.665 -3.346 12.528 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.438 -5.735 10.207 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.686 -7.054 11.376 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.749 -5.627 11.406 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.271 -1.933 12.021 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.674 -3.101 13.301 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.243 -3.373 11.637 1.00 25.00 H new ATOM 1466 N LYS A 87 0.855 -7.732 14.315 1.00 25.00 N ATOM 1467 CA LYS A 87 0.897 -9.170 14.543 1.00 25.00 C ATOM 1468 C LYS A 87 -0.191 -9.565 15.511 1.00 25.00 C ATOM 1469 O LYS A 87 -0.959 -10.461 15.219 1.00 25.00 O ATOM 1470 CB LYS A 87 2.261 -9.581 15.104 1.00 25.00 C ATOM 1471 CG LYS A 87 2.434 -11.057 15.310 1.00 25.00 C ATOM 1472 CD LYS A 87 3.278 -11.325 16.547 1.00 25.00 C ATOM 1473 CE LYS A 87 2.406 -11.490 17.812 1.00 25.00 C ATOM 1474 NZ LYS A 87 1.478 -12.691 17.765 1.00 25.00 N ATOM 0 H LYS A 87 1.726 -7.244 14.526 1.00 25.00 H new ATOM 0 HA LYS A 87 0.740 -9.680 13.593 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.039 -9.229 14.426 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.415 -9.074 16.057 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.459 -11.532 15.417 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.910 -11.499 14.435 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.871 -12.227 16.394 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.979 -10.503 16.694 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.057 -11.580 18.681 1.00 25.00 H new ATOM 0 HE3 LYS A 87 1.810 -10.588 17.952 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 1.171 -12.931 18.729 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 0.646 -12.464 17.183 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 1.980 -13.502 17.350 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.276 -8.899 16.650 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.299 -9.247 17.637 1.00 25.00 C ATOM 1490 C GLU A 88 -2.700 -8.927 17.111 1.00 25.00 C ATOM 1491 O GLU A 88 -3.653 -9.623 17.439 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.042 -8.551 18.982 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.067 -7.038 18.930 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.850 -6.401 20.284 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.766 -6.484 21.127 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.160 -5.691 20.462 1.00 25.00 O ATOM 0 H GLU A 88 0.336 -8.128 16.917 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.240 -10.322 17.807 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.791 -8.888 19.698 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.072 -8.871 19.361 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.296 -6.690 18.242 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.025 -6.709 18.528 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.823 -7.920 16.253 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.123 -7.577 15.682 1.00 25.00 C ATOM 1505 C LEU A 89 -4.653 -8.674 14.765 1.00 25.00 C ATOM 1506 O LEU A 89 -5.839 -8.969 14.795 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.067 -6.246 14.926 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.091 -4.978 15.799 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -4.020 -3.748 14.892 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.352 -4.915 16.681 1.00 25.00 C ATOM 0 H LEU A 89 -2.050 -7.333 15.940 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.812 -7.475 16.520 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.160 -6.231 14.322 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.910 -6.206 14.237 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.230 -5.002 16.467 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.036 -2.845 15.502 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.098 -3.777 14.311 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.875 -3.745 14.216 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.331 -4.006 17.282 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.239 -4.911 16.048 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.380 -5.784 17.339 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.791 -9.297 13.975 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.236 -10.398 13.112 1.00 25.00 C ATOM 1524 C ILE A 90 -4.373 -11.672 13.951 1.00 25.00 C ATOM 1525 O ILE A 90 -5.325 -12.437 13.796 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.245 -10.700 11.944 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.969 -9.441 11.097 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.844 -11.803 11.029 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.742 -9.592 10.166 1.00 25.00 C ATOM 0 H ILE A 90 -2.799 -9.071 13.908 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.187 -10.090 12.678 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.304 -11.035 12.380 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.849 -9.216 10.495 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.811 -8.591 11.761 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.153 -12.014 10.213 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.006 -12.710 11.611 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.794 -11.460 10.620 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.601 -8.673 9.597 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.853 -9.788 10.765 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.907 -10.422 9.479 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.419 -11.885 14.847 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.369 -13.084 15.694 1.00 25.00 C ATOM 1543 C ASP A 91 -4.643 -13.204 16.518 1.00 25.00 C ATOM 1544 O ASP A 91 -5.197 -14.286 16.680 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.143 -12.977 16.616 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.806 -14.266 17.325 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.602 -14.754 18.146 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.639 -14.696 17.170 1.00 25.00 O ATOM 0 H ASP A 91 -2.652 -11.233 15.013 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.288 -13.975 15.071 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.282 -12.660 16.027 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.324 -12.200 17.359 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.137 -12.071 16.995 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.355 -12.032 17.796 1.00 25.00 C ATOM 1555 C LYS A 92 -7.463 -11.273 17.079 1.00 25.00 C ATOM 1556 O LYS A 92 -8.297 -10.629 17.716 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.047 -11.414 19.167 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.124 -12.286 20.027 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.888 -13.464 20.654 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.052 -14.745 20.675 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.105 -15.469 19.359 1.00 25.00 N ATOM 0 H LYS A 92 -4.710 -11.158 16.840 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.714 -13.051 17.944 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.584 -10.438 19.023 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -6.982 -11.248 19.702 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.306 -12.666 19.415 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.678 -11.679 20.815 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.180 -13.206 21.672 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.806 -13.640 20.093 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.017 -14.499 20.913 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.414 -15.402 21.466 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.597 -16.373 19.439 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.096 -15.651 19.103 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.659 -14.885 18.623 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.517 -11.393 15.755 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.599 -10.763 14.973 1.00 25.00 C ATOM 1577 C LYS A 93 -9.943 -11.370 15.373 1.00 25.00 C ATOM 1578 O LYS A 93 -10.990 -10.763 15.215 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.364 -10.911 13.462 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.494 -12.332 12.916 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.037 -12.380 11.462 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.196 -13.769 10.856 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.645 -14.138 10.696 1.00 25.00 N ATOM 0 H LYS A 93 -6.838 -11.912 15.199 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.606 -9.696 15.196 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.073 -10.271 12.937 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.366 -10.540 13.228 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.895 -13.017 13.516 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.529 -12.665 12.991 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.613 -11.662 10.878 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.992 -12.076 11.401 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.702 -13.802 9.885 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.701 -14.503 11.491 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.762 -14.722 9.843 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.961 -14.675 11.529 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.215 -13.273 10.605 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.871 -12.565 15.938 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.028 -13.310 16.428 1.00 25.00 C ATOM 1599 C GLU A 94 -11.797 -12.595 17.550 1.00 25.00 C ATOM 1600 O GLU A 94 -13.004 -12.755 17.660 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.539 -14.687 16.908 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.435 -14.616 17.983 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.777 -15.956 18.266 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.094 -16.952 17.590 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -7.873 -15.985 19.133 1.00 25.00 O ATOM 0 H GLU A 94 -8.988 -13.058 16.073 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.737 -13.403 15.606 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.387 -15.244 17.307 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.164 -15.248 16.052 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.672 -13.906 17.663 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.863 -14.228 18.907 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.114 -11.779 18.348 1.00 25.00 N ATOM 1613 CA VAL A 95 -11.766 -11.027 19.434 1.00 25.00 C ATOM 1614 C VAL A 95 -11.667 -9.528 19.166 1.00 25.00 C ATOM 1615 O VAL A 95 -12.036 -8.704 19.994 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.155 -11.366 20.830 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.480 -12.817 21.218 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.633 -11.153 20.843 1.00 25.00 C ATOM 0 H VAL A 95 -10.110 -11.617 18.269 1.00 25.00 H new ATOM 0 HA VAL A 95 -12.815 -11.324 19.456 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.601 -10.689 21.559 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.047 -13.038 22.194 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.561 -12.948 21.262 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.062 -13.495 20.474 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.240 -11.398 21.830 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.169 -11.798 20.097 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.409 -10.112 20.612 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.201 -9.184 17.975 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.109 -7.790 17.543 1.00 25.00 C ATOM 1630 C ASN A 96 -11.904 -7.641 16.243 1.00 25.00 C ATOM 1631 O ASN A 96 -11.330 -7.584 15.153 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.646 -7.386 17.328 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.936 -7.081 18.615 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.071 -5.998 19.156 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.160 -8.010 19.097 1.00 25.00 N ATOM 0 H ASN A 96 -10.876 -9.857 17.281 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.521 -7.135 18.311 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.123 -8.190 16.811 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.606 -6.511 16.679 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.638 -7.843 19.958 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.074 -8.904 18.614 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.245 -7.570 16.336 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.020 -7.537 15.090 1.00 25.00 C ATOM 1644 C PRO A 97 -13.846 -6.259 14.272 1.00 25.00 C ATOM 1645 O PRO A 97 -14.117 -6.248 13.075 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.462 -7.694 15.581 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.449 -7.109 16.942 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.131 -7.555 17.517 1.00 25.00 C ATOM 0 HA PRO A 97 -13.693 -8.313 14.398 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.163 -7.172 14.930 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.764 -8.741 15.601 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.523 -6.022 16.910 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.287 -7.468 17.539 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.771 -6.868 18.283 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.204 -8.539 17.980 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.350 -5.196 14.897 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.109 -3.949 14.184 1.00 25.00 C ATOM 1658 C GLN A 98 -12.040 -4.209 13.132 1.00 25.00 C ATOM 1659 O GLN A 98 -12.211 -3.893 11.957 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.635 -2.849 15.156 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.918 -1.421 14.684 1.00 25.00 C ATOM 1662 CD GLN A 98 -12.279 -1.107 13.357 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.096 -1.304 13.172 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.056 -0.614 12.436 1.00 25.00 N ATOM 0 H GLN A 98 -13.109 -5.173 15.888 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.032 -3.606 13.716 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.118 -3.002 16.121 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.562 -2.960 15.315 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.996 -1.276 14.607 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.554 -0.717 15.433 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.046 -0.463 12.631 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -12.675 -0.379 11.520 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.937 -4.805 13.563 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.821 -5.032 12.661 1.00 25.00 C ATOM 1675 C VAL A 99 -10.086 -6.213 11.749 1.00 25.00 C ATOM 1676 O VAL A 99 -9.549 -6.268 10.672 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.449 -5.145 13.386 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.329 -4.029 14.442 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.243 -6.524 14.015 1.00 25.00 C ATOM 0 H VAL A 99 -10.793 -5.135 14.517 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.743 -4.140 12.039 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.661 -5.022 12.643 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.367 -4.110 14.949 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.402 -3.057 13.954 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.133 -4.130 15.171 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.272 -6.557 14.510 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.030 -6.712 14.746 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.280 -7.288 13.238 1.00 25.00 H new ATOM 1689 N MET A 100 -10.930 -7.148 12.162 1.00 25.00 N ATOM 1690 CA MET A 100 -11.292 -8.273 11.296 1.00 25.00 C ATOM 1691 C MET A 100 -11.910 -7.760 9.986 1.00 25.00 C ATOM 1692 O MET A 100 -11.628 -8.280 8.915 1.00 25.00 O ATOM 1693 CB MET A 100 -12.258 -9.212 12.027 1.00 25.00 C ATOM 1694 CG MET A 100 -12.817 -10.349 11.173 1.00 25.00 C ATOM 1695 SD MET A 100 -11.543 -11.348 10.370 1.00 25.00 S ATOM 1696 CE MET A 100 -12.220 -11.423 8.667 1.00 25.00 C ATOM 0 H MET A 100 -11.375 -7.156 13.080 1.00 25.00 H new ATOM 0 HA MET A 100 -10.391 -8.834 11.049 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.744 -9.641 12.887 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.090 -8.624 12.414 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.431 -10.995 11.801 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.472 -9.930 10.410 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.408 -11.593 7.960 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.939 -12.239 8.597 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.716 -10.481 8.431 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.688 -6.691 10.044 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.224 -6.117 8.812 1.00 25.00 C ATOM 1708 C ALA A 101 -12.086 -5.531 7.952 1.00 25.00 C ATOM 1709 O ALA A 101 -12.148 -5.557 6.724 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.253 -5.032 9.146 1.00 25.00 C ATOM 0 H ALA A 101 -12.959 -6.212 10.903 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.715 -6.905 8.241 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.648 -4.609 8.223 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.068 -5.469 9.723 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.776 -4.245 9.731 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.043 -5.030 8.602 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.914 -4.432 7.903 1.00 25.00 C ATOM 1718 C ALA A 102 -9.047 -5.531 7.280 1.00 25.00 C ATOM 1719 O ALA A 102 -8.456 -5.328 6.238 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.092 -3.558 8.869 1.00 25.00 C ATOM 0 H ALA A 102 -10.956 -5.027 9.618 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.284 -3.792 7.103 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.251 -3.117 8.334 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.724 -2.765 9.269 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.719 -4.173 9.688 1.00 25.00 H new ATOM 1726 N VAL A 103 -9.025 -6.705 7.893 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.322 -7.870 7.336 1.00 25.00 C ATOM 1728 C VAL A 103 -8.938 -8.168 5.975 1.00 25.00 C ATOM 1729 O VAL A 103 -8.229 -8.302 4.981 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.473 -9.105 8.299 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.984 -10.413 7.679 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.718 -8.841 9.608 1.00 25.00 C ATOM 0 H VAL A 103 -9.488 -6.885 8.784 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.257 -7.665 7.230 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.539 -9.224 8.492 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.115 -11.226 8.393 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.559 -10.626 6.778 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.928 -10.322 7.423 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.827 -9.700 10.270 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.662 -8.680 9.393 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.129 -7.955 10.093 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.263 -8.213 5.925 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.966 -8.492 4.679 1.00 25.00 C ATOM 1744 C ALA A 104 -10.790 -7.350 3.667 1.00 25.00 C ATOM 1745 O ALA A 104 -10.557 -7.587 2.486 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.450 -8.730 4.972 1.00 25.00 C ATOM 0 H ALA A 104 -10.871 -8.061 6.730 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.537 -9.389 4.233 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.976 -8.939 4.040 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.556 -9.580 5.647 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.876 -7.841 5.438 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.885 -6.113 4.127 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.714 -4.973 3.229 1.00 25.00 C ATOM 1754 C GLN A 105 -9.300 -4.875 2.674 1.00 25.00 C ATOM 1755 O GLN A 105 -9.119 -4.476 1.536 1.00 25.00 O ATOM 1756 CB GLN A 105 -11.067 -3.661 3.919 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.554 -3.371 3.893 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.849 -1.894 3.994 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.557 -1.122 3.083 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.433 -1.492 5.082 1.00 25.00 N ATOM 0 H GLN A 105 -11.076 -5.870 5.099 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.399 -5.145 2.399 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.725 -3.695 4.953 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.533 -2.844 3.434 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.983 -3.763 2.971 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -13.039 -3.894 4.717 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.660 -2.162 5.817 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.665 -0.506 5.202 1.00 25.00 H new ATOM 1769 N THR A 106 -8.295 -5.245 3.449 1.00 25.00 N ATOM 1770 CA THR A 106 -6.924 -5.196 2.950 1.00 25.00 C ATOM 1771 C THR A 106 -6.797 -6.198 1.805 1.00 25.00 C ATOM 1772 O THR A 106 -6.211 -5.881 0.779 1.00 25.00 O ATOM 1773 CB THR A 106 -5.882 -5.504 4.047 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.103 -4.656 5.172 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.471 -5.233 3.561 1.00 25.00 C ATOM 0 H THR A 106 -8.394 -5.577 4.408 1.00 25.00 H new ATOM 0 HA THR A 106 -6.718 -4.183 2.605 1.00 25.00 H new ATOM 0 HB THR A 106 -5.991 -6.556 4.309 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.878 -4.979 5.678 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.762 -5.460 4.357 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.258 -5.860 2.695 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.378 -4.184 3.281 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.403 -7.373 1.938 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.410 -8.336 0.828 1.00 25.00 C ATOM 1785 C GLU A 107 -8.117 -7.750 -0.395 1.00 25.00 C ATOM 1786 O GLU A 107 -7.614 -7.866 -1.506 1.00 25.00 O ATOM 1787 CB GLU A 107 -8.089 -9.653 1.219 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.341 -10.411 2.288 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.889 -11.806 2.537 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -9.005 -12.128 2.082 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.168 -12.596 3.191 1.00 25.00 O ATOM 0 H GLU A 107 -7.887 -7.683 2.781 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.368 -8.543 0.584 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -9.099 -9.443 1.570 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.183 -10.283 0.334 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.292 -10.487 2.002 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.378 -9.843 3.218 1.00 25.00 H new ATOM 1798 N GLU A 108 -9.246 -7.078 -0.200 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.956 -6.452 -1.324 1.00 25.00 C ATOM 1800 C GLU A 108 -9.063 -5.449 -2.039 1.00 25.00 C ATOM 1801 O GLU A 108 -9.021 -5.408 -3.259 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.197 -5.679 -0.861 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.449 -6.497 -0.644 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.658 -5.591 -0.421 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.957 -4.768 -1.323 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.285 -5.662 0.655 1.00 25.00 O ATOM 0 H GLU A 108 -9.689 -6.950 0.710 1.00 25.00 H new ATOM 0 HA GLU A 108 -10.245 -7.269 -1.985 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.955 -5.169 0.071 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.415 -4.907 -1.599 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.624 -7.138 -1.508 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.316 -7.152 0.217 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.384 -4.614 -1.273 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.562 -3.542 -1.832 1.00 25.00 C ATOM 1815 C ILE A 109 -6.339 -4.114 -2.538 1.00 25.00 C ATOM 1816 O ILE A 109 -5.959 -3.634 -3.603 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.140 -2.539 -0.716 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.403 -1.837 -0.175 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.136 -1.477 -1.257 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.227 -1.171 1.171 1.00 25.00 C ATOM 0 H ILE A 109 -8.383 -4.654 -0.254 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.156 -3.002 -2.569 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.642 -3.091 0.081 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.723 -1.086 -0.898 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.206 -2.570 -0.100 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.862 -0.793 -0.454 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.242 -1.978 -1.628 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.601 -0.916 -2.068 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.165 -0.704 1.471 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.940 -1.917 1.912 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.449 -0.411 1.102 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.742 -5.153 -1.976 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.558 -5.767 -2.580 1.00 25.00 C ATOM 1834 C LEU A 110 -4.930 -6.473 -3.887 1.00 25.00 C ATOM 1835 O LEU A 110 -4.228 -6.336 -4.879 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.898 -6.733 -1.586 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.802 -6.141 -0.664 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -3.097 -4.726 -0.120 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.561 -7.082 0.523 1.00 25.00 C ATOM 0 H LEU A 110 -6.051 -5.591 -1.108 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.835 -4.987 -2.820 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.679 -7.159 -0.956 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.460 -7.556 -2.151 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.919 -6.047 -1.297 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.272 -4.400 0.514 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.210 -4.032 -0.953 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -4.017 -4.745 0.464 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.790 -6.663 1.169 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.485 -7.198 1.089 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.236 -8.055 0.156 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.068 -7.157 -3.920 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.567 -7.765 -5.160 1.00 25.00 C ATOM 1853 C LYS A 111 -7.086 -6.724 -6.154 1.00 25.00 C ATOM 1854 O LYS A 111 -7.169 -6.996 -7.335 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.679 -8.776 -4.842 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.232 -9.948 -3.941 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.175 -10.803 -4.612 1.00 25.00 C ATOM 1858 CE LYS A 111 -5.616 -11.874 -3.673 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.644 -12.727 -2.999 1.00 25.00 N ATOM 0 H LYS A 111 -6.665 -7.307 -3.107 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.724 -8.273 -5.628 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.502 -8.252 -4.356 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.066 -9.179 -5.778 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.840 -9.556 -3.002 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.095 -10.565 -3.693 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -6.603 -11.282 -5.493 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.361 -10.166 -4.959 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -4.947 -12.520 -4.241 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.013 -11.385 -2.907 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.170 -13.453 -2.425 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.239 -12.134 -2.385 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -7.239 -13.187 -3.718 1.00 25.00 H new ATOM 1873 N SER A 112 -7.409 -5.534 -5.675 1.00 25.00 N ATOM 1874 CA SER A 112 -7.847 -4.431 -6.542 1.00 25.00 C ATOM 1875 C SER A 112 -6.645 -3.751 -7.168 1.00 25.00 C ATOM 1876 O SER A 112 -6.778 -2.886 -8.030 1.00 25.00 O ATOM 1877 CB SER A 112 -8.603 -3.393 -5.726 1.00 25.00 C ATOM 1878 OG SER A 112 -9.208 -2.416 -6.558 1.00 25.00 O ATOM 0 H SER A 112 -7.378 -5.297 -4.683 1.00 25.00 H new ATOM 0 HA SER A 112 -8.492 -4.844 -7.317 1.00 25.00 H new ATOM 0 HB2 SER A 112 -9.368 -3.887 -5.127 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.919 -2.907 -5.031 1.00 25.00 H new ATOM 0 HG SER A 112 -8.664 -2.289 -7.363 1.00 25.00 H new ATOM 1884 N ASN A 113 -5.483 -4.085 -6.638 1.00 25.00 N ATOM 1885 CA ASN A 113 -4.221 -3.493 -7.056 1.00 25.00 C ATOM 1886 C ASN A 113 -3.490 -4.389 -8.047 1.00 25.00 C ATOM 1887 O ASN A 113 -3.954 -5.487 -8.372 1.00 25.00 O ATOM 1888 CB ASN A 113 -3.348 -3.239 -5.824 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.183 -1.786 -5.546 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -2.253 -1.160 -6.021 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -4.100 -1.228 -4.811 1.00 25.00 N ATOM 0 H ASN A 113 -5.385 -4.781 -5.899 1.00 25.00 H new ATOM 0 HA ASN A 113 -4.429 -2.548 -7.558 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.795 -3.725 -4.957 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -2.368 -3.693 -5.974 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -4.057 -0.228 -4.613 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -4.862 -1.790 -4.433 1.00 25.00 H new ATOM 1898 N SER A 114 -2.330 -3.915 -8.494 1.00 25.00 N ATOM 1899 CA SER A 114 -1.497 -4.587 -9.450 1.00 25.00 C ATOM 1900 C SER A 114 -2.255 -4.852 -10.741 1.00 25.00 C ATOM 1901 O SER A 114 -3.213 -4.169 -11.075 1.00 25.00 O ATOM 1902 CB SER A 114 -0.943 -5.865 -8.831 1.00 25.00 C ATOM 1903 OG SER A 114 -0.636 -5.666 -7.462 1.00 25.00 O ATOM 0 H SER A 114 -1.944 -3.024 -8.182 1.00 25.00 H new ATOM 0 HA SER A 114 -0.655 -3.946 -9.713 1.00 25.00 H new ATOM 0 HB2 SER A 114 -1.671 -6.670 -8.932 1.00 25.00 H new ATOM 0 HB3 SER A 114 -0.047 -6.177 -9.368 1.00 25.00 H new ATOM 0 HG SER A 114 -0.283 -6.497 -7.082 1.00 25.00 H new ATOM 1909 N GLN A 115 -1.767 -5.824 -11.479 1.00 25.00 N ATOM 1910 CA GLN A 115 -2.350 -6.200 -12.769 1.00 25.00 C ATOM 1911 C GLN A 115 -3.612 -7.056 -12.576 1.00 25.00 C ATOM 1912 O GLN A 115 -4.369 -7.277 -13.522 1.00 25.00 O ATOM 1913 CB GLN A 115 -1.301 -6.972 -13.581 1.00 25.00 C ATOM 1914 CG GLN A 115 -1.631 -7.120 -15.065 1.00 25.00 C ATOM 1915 CD GLN A 115 -0.542 -7.839 -15.822 1.00 25.00 C ATOM 1916 OE1 GLN A 115 0.552 -7.326 -15.998 1.00 25.00 O ATOM 1917 NE2 GLN A 115 -0.830 -9.032 -16.268 1.00 25.00 N ATOM 0 H GLN A 115 -0.956 -6.382 -11.211 1.00 25.00 H new ATOM 0 HA GLN A 115 -2.643 -5.297 -13.305 1.00 25.00 H new ATOM 0 HB2 GLN A 115 -0.341 -6.466 -13.484 1.00 25.00 H new ATOM 0 HB3 GLN A 115 -1.183 -7.965 -13.147 1.00 25.00 H new ATOM 0 HG2 GLN A 115 -2.568 -7.666 -15.174 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -1.784 -6.133 -15.502 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -1.755 -9.429 -16.102 1.00 25.00 H new ATOM 0 HE22 GLN A 115 -0.130 -9.567 -16.782 1.00 25.00 H new ATOM 1926 N THR A 116 -3.814 -7.522 -11.344 1.00 25.00 N ATOM 1927 CA THR A 116 -4.928 -8.399 -10.988 1.00 25.00 C ATOM 1928 C THR A 116 -4.878 -9.672 -11.874 1.00 25.00 C ATOM 1929 O THR A 116 -3.827 -10.005 -12.425 1.00 25.00 O ATOM 1930 CB THR A 116 -6.264 -7.600 -11.097 1.00 25.00 C ATOM 1931 OG1 THR A 116 -6.050 -6.268 -10.619 1.00 25.00 O ATOM 1932 CG2 THR A 116 -7.403 -8.206 -10.259 1.00 25.00 C ATOM 0 H THR A 116 -3.203 -7.299 -10.558 1.00 25.00 H new ATOM 0 HA THR A 116 -4.856 -8.740 -9.955 1.00 25.00 H new ATOM 0 HB THR A 116 -6.558 -7.627 -12.146 1.00 25.00 H new ATOM 0 HG1 THR A 116 -5.453 -6.291 -9.842 1.00 25.00 H new ATOM 0 HG21 THR A 116 -8.303 -7.603 -10.379 1.00 25.00 H new ATOM 0 HG22 THR A 116 -7.600 -9.224 -10.595 1.00 25.00 H new ATOM 0 HG23 THR A 116 -7.114 -8.221 -9.208 1.00 25.00 H new ATOM 1940 N ASP A 117 -5.981 -10.401 -11.957 1.00 25.00 N ATOM 1941 CA ASP A 117 -6.102 -11.609 -12.752 1.00 25.00 C ATOM 1942 C ASP A 117 -7.607 -11.591 -13.008 1.00 25.00 C ATOM 1943 O ASP A 117 -8.256 -10.576 -12.736 1.00 25.00 O ATOM 1944 CB ASP A 117 -5.665 -12.842 -11.937 1.00 25.00 C ATOM 1945 CG ASP A 117 -5.549 -14.108 -12.787 1.00 25.00 C ATOM 1946 OD1 ASP A 117 -5.803 -14.046 -14.011 1.00 25.00 O ATOM 1947 OD2 ASP A 117 -5.279 -15.179 -12.211 1.00 25.00 O ATOM 0 H ASP A 117 -6.838 -10.160 -11.459 1.00 25.00 H new ATOM 0 HA ASP A 117 -5.489 -11.653 -13.652 1.00 25.00 H new ATOM 0 HB2 ASP A 117 -4.703 -12.638 -11.466 1.00 25.00 H new ATOM 0 HB3 ASP A 117 -6.383 -13.014 -11.135 1.00 25.00 H new ATOM 1952 N LEU A 118 -8.173 -12.698 -13.449 1.00 25.00 N ATOM 1953 CA LEU A 118 -9.619 -12.830 -13.590 1.00 25.00 C ATOM 1954 C LEU A 118 -10.375 -12.383 -12.333 1.00 25.00 C ATOM 1955 O LEU A 118 -10.029 -12.722 -11.199 1.00 25.00 O ATOM 1956 CB LEU A 118 -9.971 -14.281 -13.901 1.00 25.00 C ATOM 1957 CG LEU A 118 -9.335 -15.298 -12.929 1.00 25.00 C ATOM 1958 CD1 LEU A 118 -10.425 -16.010 -12.117 1.00 25.00 C ATOM 1959 CD2 LEU A 118 -8.511 -16.329 -13.695 1.00 25.00 C ATOM 0 H LEU A 118 -7.650 -13.531 -13.720 1.00 25.00 H new ATOM 0 HA LEU A 118 -9.926 -12.177 -14.407 1.00 25.00 H new ATOM 0 HB2 LEU A 118 -11.055 -14.396 -13.875 1.00 25.00 H new ATOM 0 HB3 LEU A 118 -9.650 -14.513 -14.917 1.00 25.00 H new ATOM 0 HG LEU A 118 -8.678 -14.755 -12.249 1.00 25.00 H new ATOM 0 HD11 LEU A 118 -9.963 -16.724 -11.436 1.00 25.00 H new ATOM 0 HD12 LEU A 118 -10.990 -15.275 -11.544 1.00 25.00 H new ATOM 0 HD13 LEU A 118 -11.097 -16.537 -12.794 1.00 25.00 H new ATOM 0 HD21 LEU A 118 -8.071 -17.037 -12.993 1.00 25.00 H new ATOM 0 HD22 LEU A 118 -9.155 -16.863 -14.394 1.00 25.00 H new ATOM 0 HD23 LEU A 118 -7.718 -15.824 -14.246 1.00 25.00 H new ATOM 1971 N GLU A 119 -11.435 -11.628 -12.555 1.00 25.00 N ATOM 1972 CA GLU A 119 -12.245 -11.094 -11.467 1.00 25.00 C ATOM 1973 C GLU A 119 -13.708 -11.047 -11.893 1.00 25.00 C ATOM 1974 O GLU A 119 -14.033 -11.247 -13.062 1.00 25.00 O ATOM 1975 CB GLU A 119 -11.727 -9.710 -11.029 1.00 25.00 C ATOM 1976 CG GLU A 119 -11.708 -8.626 -12.118 1.00 25.00 C ATOM 1977 CD GLU A 119 -13.056 -7.949 -12.339 1.00 25.00 C ATOM 1978 OE1 GLU A 119 -13.947 -7.982 -11.447 1.00 25.00 O ATOM 1979 OE2 GLU A 119 -13.239 -7.358 -13.417 1.00 25.00 O ATOM 0 H GLU A 119 -11.760 -11.367 -13.486 1.00 25.00 H new ATOM 0 HA GLU A 119 -12.166 -11.751 -10.601 1.00 25.00 H new ATOM 0 HB2 GLU A 119 -12.344 -9.357 -10.203 1.00 25.00 H new ATOM 0 HB3 GLU A 119 -10.715 -9.828 -10.643 1.00 25.00 H new ATOM 0 HG2 GLU A 119 -10.972 -7.868 -11.850 1.00 25.00 H new ATOM 0 HG3 GLU A 119 -11.379 -9.073 -13.056 1.00 25.00 H new ATOM 1986 N HIS A 120 -14.595 -10.852 -10.928 1.00 25.00 N ATOM 1987 CA HIS A 120 -16.038 -10.908 -11.173 1.00 25.00 C ATOM 1988 C HIS A 120 -16.787 -9.845 -10.364 1.00 25.00 C ATOM 1989 O HIS A 120 -17.191 -10.079 -9.218 1.00 25.00 O ATOM 1990 CB HIS A 120 -16.549 -12.315 -10.829 1.00 25.00 C ATOM 1991 CG HIS A 120 -15.691 -13.032 -9.830 1.00 25.00 C ATOM 1992 ND1 HIS A 120 -15.688 -12.743 -8.462 1.00 25.00 N ATOM 1993 CD2 HIS A 120 -14.771 -14.026 -9.974 1.00 25.00 C ATOM 1994 CE1 HIS A 120 -14.807 -13.536 -7.860 1.00 25.00 C ATOM 1995 NE2 HIS A 120 -14.248 -14.312 -8.751 1.00 25.00 N ATOM 0 H HIS A 120 -14.343 -10.652 -9.960 1.00 25.00 H new ATOM 0 HA HIS A 120 -16.225 -10.698 -12.226 1.00 25.00 H new ATOM 0 HB2 HIS A 120 -17.564 -12.240 -10.438 1.00 25.00 H new ATOM 0 HB3 HIS A 120 -16.603 -12.907 -11.742 1.00 25.00 H new ATOM 0 HD2 HIS A 120 -14.502 -14.506 -10.903 1.00 25.00 H new ATOM 0 HE1 HIS A 120 -14.588 -13.539 -6.802 1.00 25.00 H new ATOM 0 HE2 HIS A 120 -13.536 -15.017 -8.560 1.00 25.00 H new ATOM 2003 N HIS A 121 -16.960 -8.673 -10.956 1.00 25.00 N ATOM 2004 CA HIS A 121 -17.630 -7.548 -10.290 1.00 25.00 C ATOM 2005 C HIS A 121 -19.160 -7.553 -10.445 1.00 25.00 C ATOM 2006 O HIS A 121 -19.683 -7.197 -11.489 1.00 25.00 O ATOM 2007 CB HIS A 121 -17.065 -6.217 -10.826 1.00 25.00 C ATOM 2008 CG HIS A 121 -16.954 -6.155 -12.323 1.00 25.00 C ATOM 2009 ND1 HIS A 121 -15.795 -6.485 -13.023 1.00 25.00 N ATOM 2010 CD2 HIS A 121 -17.842 -5.790 -13.292 1.00 25.00 C ATOM 2011 CE1 HIS A 121 -16.007 -6.321 -14.319 1.00 25.00 C ATOM 2012 NE2 HIS A 121 -17.229 -5.905 -14.503 1.00 25.00 N ATOM 0 H HIS A 121 -16.645 -8.468 -11.904 1.00 25.00 H new ATOM 0 HA HIS A 121 -17.426 -7.659 -9.225 1.00 25.00 H new ATOM 0 HB2 HIS A 121 -17.703 -5.401 -10.486 1.00 25.00 H new ATOM 0 HB3 HIS A 121 -16.079 -6.053 -10.392 1.00 25.00 H new ATOM 0 HD1 HIS A 121 -14.921 -6.803 -12.603 1.00 25.00 H new ATOM 0 HD2 HIS A 121 -18.859 -5.465 -13.127 1.00 25.00 H new ATOM 0 HE1 HIS A 121 -15.283 -6.503 -15.100 1.00 25.00 H new ATOM 2020 N HIS A 122 -19.888 -7.876 -9.379 1.00 25.00 N ATOM 2021 CA HIS A 122 -21.362 -7.782 -9.419 1.00 25.00 C ATOM 2022 C HIS A 122 -21.789 -6.317 -9.600 1.00 25.00 C ATOM 2023 O HIS A 122 -22.645 -6.011 -10.421 1.00 25.00 O ATOM 2024 CB HIS A 122 -21.989 -8.358 -8.139 1.00 25.00 C ATOM 2025 CG HIS A 122 -23.479 -8.512 -8.217 1.00 25.00 C ATOM 2026 ND1 HIS A 122 -24.128 -9.751 -8.283 1.00 25.00 N ATOM 2027 CD2 HIS A 122 -24.488 -7.597 -8.243 1.00 25.00 C ATOM 2028 CE1 HIS A 122 -25.439 -9.547 -8.341 1.00 25.00 C ATOM 2029 NE2 HIS A 122 -25.675 -8.261 -8.319 1.00 25.00 N ATOM 0 H HIS A 122 -19.502 -8.199 -8.492 1.00 25.00 H new ATOM 0 HA HIS A 122 -21.718 -8.370 -10.265 1.00 25.00 H new ATOM 0 HB2 HIS A 122 -21.542 -9.330 -7.931 1.00 25.00 H new ATOM 0 HB3 HIS A 122 -21.743 -7.708 -7.299 1.00 25.00 H new ATOM 0 HD2 HIS A 122 -24.367 -6.524 -8.209 1.00 25.00 H new ATOM 0 HE1 HIS A 122 -26.191 -10.320 -8.397 1.00 25.00 H new ATOM 0 HE2 HIS A 122 -26.597 -7.826 -8.353 1.00 25.00 H new ATOM 2037 N HIS A 123 -21.149 -5.426 -8.842 1.00 25.00 N ATOM 2038 CA HIS A 123 -21.390 -3.972 -8.916 1.00 25.00 C ATOM 2039 C HIS A 123 -22.883 -3.608 -8.722 1.00 25.00 C ATOM 2040 O HIS A 123 -23.660 -4.397 -8.186 1.00 25.00 O ATOM 2041 CB HIS A 123 -20.832 -3.426 -10.252 1.00 25.00 C ATOM 2042 CG HIS A 123 -20.162 -2.087 -10.134 1.00 25.00 C ATOM 2043 ND1 HIS A 123 -18.902 -1.898 -9.548 1.00 25.00 N ATOM 2044 CD2 HIS A 123 -20.538 -0.842 -10.542 1.00 25.00 C ATOM 2045 CE1 HIS A 123 -18.589 -0.607 -9.615 1.00 25.00 C ATOM 2046 NE2 HIS A 123 -19.559 0.041 -10.204 1.00 25.00 N ATOM 0 H HIS A 123 -20.443 -5.687 -8.153 1.00 25.00 H new ATOM 0 HA HIS A 123 -20.862 -3.495 -8.090 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -20.118 -4.144 -10.656 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -21.648 -3.350 -10.971 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -21.460 -0.597 -11.049 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -17.677 -0.164 -9.242 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -19.579 1.045 -10.382 1.00 25.00 H new ATOM 2054 N HIS A 124 -23.251 -2.396 -9.113 1.00 25.00 N ATOM 2055 CA HIS A 124 -24.617 -1.875 -8.999 1.00 25.00 C ATOM 2056 C HIS A 124 -24.662 -0.870 -10.141 1.00 25.00 C ATOM 2057 O HIS A 124 -23.594 -0.446 -10.585 1.00 25.00 O ATOM 2058 CB HIS A 124 -24.807 -1.173 -7.637 1.00 25.00 C ATOM 2059 CG HIS A 124 -26.232 -1.108 -7.166 1.00 25.00 C ATOM 2060 ND1 HIS A 124 -27.166 -0.164 -7.613 1.00 25.00 N ATOM 2061 CD2 HIS A 124 -26.912 -1.850 -6.249 1.00 25.00 C ATOM 2062 CE1 HIS A 124 -28.315 -0.364 -6.979 1.00 25.00 C ATOM 2063 NE2 HIS A 124 -28.184 -1.371 -6.158 1.00 25.00 N ATOM 0 H HIS A 124 -22.599 -1.730 -9.527 1.00 25.00 H new ATOM 0 HA HIS A 124 -25.396 -2.635 -9.053 1.00 25.00 H new ATOM 0 HB2 HIS A 124 -24.213 -1.695 -6.887 1.00 25.00 H new ATOM 0 HB3 HIS A 124 -24.413 -0.159 -7.707 1.00 25.00 H new ATOM 0 HD1 HIS A 124 -26.992 0.559 -8.311 1.00 25.00 H new ATOM 0 HD2 HIS A 124 -26.510 -2.680 -5.687 1.00 25.00 H new ATOM 0 HE1 HIS A 124 -29.216 0.215 -7.120 1.00 25.00 H new ATOM 2071 N HIS A 125 -25.841 -0.481 -10.599 1.00 25.00 N ATOM 2072 CA HIS A 125 -25.967 0.578 -11.603 1.00 25.00 C ATOM 2073 C HIS A 125 -27.018 1.523 -11.056 1.00 25.00 C ATOM 2074 O HIS A 125 -27.468 2.435 -11.762 1.00 25.00 O ATOM 2075 CB HIS A 125 -26.362 0.027 -12.990 1.00 25.00 C ATOM 2076 CG HIS A 125 -27.778 -0.466 -13.082 1.00 25.00 C ATOM 2077 ND1 HIS A 125 -28.891 0.375 -12.996 1.00 25.00 N ATOM 2078 CD2 HIS A 125 -28.301 -1.705 -13.286 1.00 25.00 C ATOM 2079 CE1 HIS A 125 -29.992 -0.349 -13.140 1.00 25.00 C ATOM 2080 NE2 HIS A 125 -29.660 -1.601 -13.316 1.00 25.00 N ATOM 2081 OXT HIS A 125 -27.469 1.212 -9.934 1.00 25.00 O ATOM 0 H HIS A 125 -26.729 -0.880 -10.295 1.00 25.00 H new ATOM 0 HA HIS A 125 -25.014 1.082 -11.766 1.00 25.00 H new ATOM 0 HB2 HIS A 125 -26.214 0.810 -13.734 1.00 25.00 H new ATOM 0 HB3 HIS A 125 -25.688 -0.790 -13.248 1.00 25.00 H new ATOM 0 HD1 HIS A 125 -28.861 1.384 -12.846 1.00 25.00 H new ATOM 0 HD2 HIS A 125 -27.735 -2.617 -13.404 1.00 25.00 H new ATOM 0 HE1 HIS A 125 -31.001 0.034 -13.116 1.00 25.00 H new TER 2089 HIS A 125