USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 30:sc= 0.952 USER MOD Set 1.2: A 106 SER OG : rot 129:sc= 1.44 USER MOD Set 2.1: A 17 SER OG : rot 173:sc= -2.41 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 82 GLN : amide:sc= -4.65 K(o=-11,f=-14!) USER MOD Set 2.4: A 84 ASN : amide:sc= -3.53 K(o=-11,f=-18!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -52:sc= -0.472 USER MOD Single : A 34 MET CE :methyl 175:sc= -1.56 (180deg=-1.61) USER MOD Single : A 39 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.9) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0292) USER MOD Single : A 47 SER OG : rot 65:sc= 1.38 USER MOD Single : A 52 ASN : amide:sc= -0.181 K(o=-0.18,f=-3.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -31:sc= 0.0176 USER MOD Single : A 74 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -2.38 USER MOD Single : A 83 MET CE :methyl -151:sc= -10.2! (180deg=-13.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 140:sc= -2.23 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.198 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.39) USER MOD Single : A 111 THR OG1 : rot -99:sc= -1.02 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.792 F(o=-2.8!,f=-0.79) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 9.580 11.092 -0.156 1.00 0.00 N ATOM 37 CA GLN A 3 8.132 11.100 -0.323 1.00 0.00 C ATOM 38 C GLN A 3 7.653 9.811 -0.981 1.00 0.00 C ATOM 39 O GLN A 3 8.456 8.947 -1.334 1.00 0.00 O ATOM 40 CB GLN A 3 7.701 12.305 -1.160 1.00 0.00 C ATOM 41 CG GLN A 3 7.764 13.623 -0.405 1.00 0.00 C ATOM 42 CD GLN A 3 7.453 14.816 -1.287 1.00 0.00 C ATOM 43 OE1 GLN A 3 8.346 15.392 -1.908 1.00 0.00 O ATOM 44 NE2 GLN A 3 6.181 15.193 -1.346 1.00 0.00 N ATOM 0 HA GLN A 3 7.678 11.172 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.337 12.370 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.682 12.146 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.058 13.596 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.758 13.744 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 3 5.474 14.686 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.911 15.990 -1.923 1.00 0.00 H new ATOM 53 N LEU A 4 6.340 9.687 -1.143 1.00 0.00 N ATOM 54 CA LEU A 4 5.754 8.502 -1.759 1.00 0.00 C ATOM 55 C LEU A 4 4.438 8.842 -2.451 1.00 0.00 C ATOM 56 O LEU A 4 3.426 9.087 -1.794 1.00 0.00 O ATOM 57 CB LEU A 4 5.525 7.415 -0.706 1.00 0.00 C ATOM 58 CG LEU A 4 6.799 6.786 -0.134 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.185 7.455 1.178 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.612 5.289 0.063 1.00 0.00 C ATOM 0 H LEU A 4 5.661 10.393 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 4 6.452 8.130 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.949 7.842 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.915 6.626 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 4 7.609 6.941 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.092 6.994 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.362 8.517 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.377 7.334 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.527 4.858 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.789 5.113 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.386 4.821 -0.895 1.00 0.00 H new ATOM 72 N GLN A 5 4.457 8.855 -3.780 1.00 0.00 N ATOM 73 CA GLN A 5 3.262 9.164 -4.557 1.00 0.00 C ATOM 74 C GLN A 5 2.520 7.888 -4.941 1.00 0.00 C ATOM 75 O GLN A 5 3.045 6.787 -4.788 1.00 0.00 O ATOM 76 CB GLN A 5 3.634 9.952 -5.815 1.00 0.00 C ATOM 77 CG GLN A 5 4.024 11.394 -5.535 1.00 0.00 C ATOM 78 CD GLN A 5 4.317 12.175 -6.800 1.00 0.00 C ATOM 79 OE1 GLN A 5 3.499 12.222 -7.718 1.00 0.00 O ATOM 80 NE2 GLN A 5 5.491 12.794 -6.855 1.00 0.00 N ATOM 0 H GLN A 5 5.285 8.655 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 5 2.604 9.774 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.462 9.451 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.790 9.940 -6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.219 11.884 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.903 11.410 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.139 12.728 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.744 13.335 -7.682 1.00 0.00 H new ATOM 89 N GLU A 6 1.296 8.045 -5.437 1.00 0.00 N ATOM 90 CA GLU A 6 0.481 6.902 -5.840 1.00 0.00 C ATOM 91 C GLU A 6 0.104 6.998 -7.315 1.00 0.00 C ATOM 92 O GLU A 6 0.206 8.063 -7.924 1.00 0.00 O ATOM 93 CB GLU A 6 -0.789 6.809 -4.982 1.00 0.00 C ATOM 94 CG GLU A 6 -1.004 7.998 -4.056 1.00 0.00 C ATOM 95 CD GLU A 6 -0.059 7.993 -2.871 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.275 7.186 -1.942 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.898 8.796 -2.872 1.00 0.00 O ATOM 0 H GLU A 6 0.847 8.951 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 6 1.074 6.000 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.653 6.714 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.744 5.900 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.869 8.921 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.033 7.992 -3.696 1.00 0.00 H new ATOM 104 N SER A 7 -0.333 5.878 -7.883 1.00 0.00 N ATOM 105 CA SER A 7 -0.727 5.838 -9.287 1.00 0.00 C ATOM 106 C SER A 7 -1.658 4.661 -9.560 1.00 0.00 C ATOM 107 O SER A 7 -1.323 3.512 -9.271 1.00 0.00 O ATOM 108 CB SER A 7 0.510 5.743 -10.182 1.00 0.00 C ATOM 109 OG SER A 7 0.299 6.409 -11.415 1.00 0.00 O ATOM 0 H SER A 7 -0.423 4.988 -7.394 1.00 0.00 H new ATOM 0 HA SER A 7 -1.262 6.760 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.367 6.181 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.750 4.696 -10.367 1.00 0.00 H new ATOM 0 HG SER A 7 1.104 6.336 -11.969 1.00 0.00 H new ATOM 115 N GLY A 8 -2.826 4.955 -10.120 1.00 0.00 N ATOM 116 CA GLY A 8 -3.787 3.911 -10.425 1.00 0.00 C ATOM 117 C GLY A 8 -4.978 3.923 -9.487 1.00 0.00 C ATOM 118 O GLY A 8 -6.079 3.525 -9.867 1.00 0.00 O ATOM 0 H GLY A 8 -3.125 5.898 -10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.136 4.032 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.294 2.941 -10.368 1.00 0.00 H new ATOM 122 N GLY A 9 -4.757 4.378 -8.257 1.00 0.00 N ATOM 123 CA GLY A 9 -5.821 4.430 -7.280 1.00 0.00 C ATOM 124 C GLY A 9 -7.063 5.121 -7.800 1.00 0.00 C ATOM 125 O GLY A 9 -6.981 6.143 -8.481 1.00 0.00 O ATOM 0 H GLY A 9 -3.854 4.712 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.077 3.416 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.466 4.951 -6.391 1.00 0.00 H new ATOM 129 N GLY A 10 -8.212 4.554 -7.473 1.00 0.00 N ATOM 130 CA GLY A 10 -9.474 5.117 -7.908 1.00 0.00 C ATOM 131 C GLY A 10 -10.652 4.230 -7.558 1.00 0.00 C ATOM 132 O GLY A 10 -10.560 3.385 -6.667 1.00 0.00 O ATOM 0 H GLY A 10 -8.295 3.708 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.610 6.096 -7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.447 5.272 -8.987 1.00 0.00 H new ATOM 136 N LEU A 11 -11.763 4.430 -8.255 1.00 0.00 N ATOM 137 CA LEU A 11 -12.967 3.657 -8.016 1.00 0.00 C ATOM 138 C LEU A 11 -12.794 2.208 -8.458 1.00 0.00 C ATOM 139 O LEU A 11 -12.056 1.920 -9.400 1.00 0.00 O ATOM 140 CB LEU A 11 -14.143 4.291 -8.749 1.00 0.00 C ATOM 141 CG LEU A 11 -14.364 5.758 -8.398 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.144 6.643 -9.616 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.755 5.973 -7.820 1.00 0.00 C ATOM 0 H LEU A 11 -11.852 5.127 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.164 3.659 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.980 4.204 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.049 3.731 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.635 6.038 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.307 7.685 -9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.123 6.518 -9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.844 6.360 -10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.889 7.027 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.504 5.671 -8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.870 5.375 -6.916 1.00 0.00 H new ATOM 155 N VAL A 12 -13.480 1.300 -7.772 1.00 0.00 N ATOM 156 CA VAL A 12 -13.402 -0.120 -8.096 1.00 0.00 C ATOM 157 C VAL A 12 -14.755 -0.801 -7.920 1.00 0.00 C ATOM 158 O VAL A 12 -15.373 -0.712 -6.859 1.00 0.00 O ATOM 159 CB VAL A 12 -12.355 -0.837 -7.223 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.689 -0.677 -5.748 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.255 -2.309 -7.600 1.00 0.00 C ATOM 0 H VAL A 12 -14.095 1.521 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.100 -0.191 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.384 -0.376 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.938 -1.190 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.699 0.382 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.670 -1.108 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.510 -2.796 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.223 -2.789 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.961 -2.398 -8.646 1.00 0.00 H new ATOM 171 N GLN A 13 -15.208 -1.484 -8.966 1.00 0.00 N ATOM 172 CA GLN A 13 -16.484 -2.183 -8.930 1.00 0.00 C ATOM 173 C GLN A 13 -16.417 -3.397 -8.008 1.00 0.00 C ATOM 174 O GLN A 13 -15.535 -4.244 -8.143 1.00 0.00 O ATOM 175 CB GLN A 13 -16.884 -2.614 -10.334 1.00 0.00 C ATOM 176 CG GLN A 13 -17.821 -1.638 -11.027 1.00 0.00 C ATOM 177 CD GLN A 13 -18.060 -1.993 -12.481 1.00 0.00 C ATOM 178 OE1 GLN A 13 -18.952 -2.778 -12.803 1.00 0.00 O ATOM 179 NE2 GLN A 13 -17.261 -1.414 -13.370 1.00 0.00 N ATOM 0 H GLN A 13 -14.707 -1.567 -9.851 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.236 -1.499 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.985 -2.733 -10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.364 -3.591 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.775 -1.619 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.403 -0.633 -10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.534 -0.769 -13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.374 -1.614 -14.364 1.00 0.00 H new ATOM 188 N ALA A 14 -17.355 -3.472 -7.068 1.00 0.00 N ATOM 189 CA ALA A 14 -17.406 -4.577 -6.120 1.00 0.00 C ATOM 190 C ALA A 14 -17.363 -5.926 -6.832 1.00 0.00 C ATOM 191 O ALA A 14 -18.180 -6.201 -7.711 1.00 0.00 O ATOM 192 CB ALA A 14 -18.657 -4.474 -5.260 1.00 0.00 C ATOM 0 H ALA A 14 -18.092 -2.777 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.526 -4.510 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.684 -5.305 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.644 -3.533 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.541 -4.510 -5.897 1.00 0.00 H new ATOM 198 N GLY A 15 -16.407 -6.764 -6.446 1.00 0.00 N ATOM 199 CA GLY A 15 -16.278 -8.074 -7.057 1.00 0.00 C ATOM 200 C GLY A 15 -15.069 -8.185 -7.970 1.00 0.00 C ATOM 201 O GLY A 15 -14.811 -9.246 -8.538 1.00 0.00 O ATOM 0 H GLY A 15 -15.719 -6.560 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.206 -8.829 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.180 -8.293 -7.629 1.00 0.00 H new ATOM 205 N GLY A 16 -14.326 -7.090 -8.115 1.00 0.00 N ATOM 206 CA GLY A 16 -13.152 -7.101 -8.968 1.00 0.00 C ATOM 207 C GLY A 16 -11.868 -6.895 -8.191 1.00 0.00 C ATOM 208 O GLY A 16 -11.792 -7.223 -7.006 1.00 0.00 O ATOM 0 H GLY A 16 -14.516 -6.198 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.102 -8.051 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.247 -6.319 -9.721 1.00 0.00 H new ATOM 212 N SER A 17 -10.856 -6.349 -8.858 1.00 0.00 N ATOM 213 CA SER A 17 -9.570 -6.098 -8.224 1.00 0.00 C ATOM 214 C SER A 17 -8.997 -4.755 -8.659 1.00 0.00 C ATOM 215 O SER A 17 -9.127 -4.358 -9.818 1.00 0.00 O ATOM 216 CB SER A 17 -8.584 -7.212 -8.559 1.00 0.00 C ATOM 217 OG SER A 17 -7.515 -7.242 -7.630 1.00 0.00 O ATOM 0 H SER A 17 -10.904 -6.072 -9.839 1.00 0.00 H new ATOM 0 HA SER A 17 -9.729 -6.073 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.100 -8.172 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.192 -7.065 -9.565 1.00 0.00 H new ATOM 0 HG SER A 17 -6.962 -8.034 -7.794 1.00 0.00 H new ATOM 223 N LEU A 18 -8.355 -4.062 -7.725 1.00 0.00 N ATOM 224 CA LEU A 18 -7.753 -2.767 -8.009 1.00 0.00 C ATOM 225 C LEU A 18 -6.277 -2.777 -7.633 1.00 0.00 C ATOM 226 O LEU A 18 -5.913 -3.187 -6.532 1.00 0.00 O ATOM 227 CB LEU A 18 -8.483 -1.662 -7.246 1.00 0.00 C ATOM 228 CG LEU A 18 -7.914 -0.259 -7.448 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.673 0.472 -8.544 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.961 0.529 -6.148 1.00 0.00 C ATOM 0 H LEU A 18 -8.239 -4.378 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.842 -2.571 -9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.530 -1.661 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.460 -1.898 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.872 -0.352 -7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.254 1.470 -8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.586 -0.082 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.724 0.553 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.551 1.526 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.994 0.612 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.371 0.015 -5.389 1.00 0.00 H new ATOM 242 N ARG A 19 -5.428 -2.335 -8.553 1.00 0.00 N ATOM 243 CA ARG A 19 -3.990 -2.312 -8.310 1.00 0.00 C ATOM 244 C ARG A 19 -3.474 -0.888 -8.135 1.00 0.00 C ATOM 245 O ARG A 19 -3.715 -0.020 -8.974 1.00 0.00 O ATOM 246 CB ARG A 19 -3.250 -2.993 -9.461 1.00 0.00 C ATOM 247 CG ARG A 19 -1.742 -3.044 -9.268 1.00 0.00 C ATOM 248 CD ARG A 19 -1.223 -4.473 -9.283 1.00 0.00 C ATOM 249 NE ARG A 19 -1.117 -5.002 -10.640 1.00 0.00 N ATOM 250 CZ ARG A 19 -0.219 -4.586 -11.529 1.00 0.00 C ATOM 251 NH1 ARG A 19 0.661 -3.647 -11.204 1.00 0.00 N ATOM 252 NH2 ARG A 19 -0.197 -5.112 -12.746 1.00 0.00 N ATOM 0 H ARG A 19 -5.708 -1.989 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.802 -2.856 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.628 -4.009 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.472 -2.465 -10.388 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.254 -2.471 -10.057 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.480 -2.571 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.245 -4.509 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.889 -5.107 -8.698 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.770 -5.733 -10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.651 -3.241 -10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.347 -3.332 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.869 -5.836 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.492 -4.793 -13.427 1.00 0.00 H new ATOM 266 N LEU A 20 -2.748 -0.661 -7.044 1.00 0.00 N ATOM 267 CA LEU A 20 -2.179 0.652 -6.761 1.00 0.00 C ATOM 268 C LEU A 20 -0.659 0.580 -6.769 1.00 0.00 C ATOM 269 O LEU A 20 -0.070 -0.355 -6.225 1.00 0.00 O ATOM 270 CB LEU A 20 -2.667 1.180 -5.410 1.00 0.00 C ATOM 271 CG LEU A 20 -4.105 0.810 -5.049 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.468 1.360 -3.679 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.066 1.327 -6.109 1.00 0.00 C ATOM 0 H LEU A 20 -2.540 -1.370 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.510 1.339 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.005 0.804 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.577 2.266 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.186 -0.276 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.495 1.087 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.796 0.942 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.373 2.446 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.086 1.056 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.984 2.412 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.817 0.884 -7.073 1.00 0.00 H new ATOM 285 N SER A 21 -0.031 1.570 -7.391 1.00 0.00 N ATOM 286 CA SER A 21 1.424 1.619 -7.474 1.00 0.00 C ATOM 287 C SER A 21 1.968 2.875 -6.803 1.00 0.00 C ATOM 288 O SER A 21 1.709 3.992 -7.251 1.00 0.00 O ATOM 289 CB SER A 21 1.874 1.570 -8.936 1.00 0.00 C ATOM 290 OG SER A 21 1.452 2.726 -9.639 1.00 0.00 O ATOM 0 H SER A 21 -0.506 2.350 -7.845 1.00 0.00 H new ATOM 0 HA SER A 21 1.821 0.750 -6.949 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.960 1.488 -8.983 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.466 0.680 -9.416 1.00 0.00 H new ATOM 0 HG SER A 21 0.489 2.854 -9.510 1.00 0.00 H new ATOM 296 N CYS A 22 2.724 2.683 -5.727 1.00 0.00 N ATOM 297 CA CYS A 22 3.306 3.800 -4.994 1.00 0.00 C ATOM 298 C CYS A 22 4.827 3.791 -5.103 1.00 0.00 C ATOM 299 O CYS A 22 5.487 2.861 -4.639 1.00 0.00 O ATOM 300 CB CYS A 22 2.885 3.747 -3.524 1.00 0.00 C ATOM 301 SG CYS A 22 1.560 4.920 -3.089 1.00 0.00 S ATOM 0 H CYS A 22 2.948 1.765 -5.344 1.00 0.00 H new ATOM 0 HA CYS A 22 2.936 4.725 -5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.553 2.736 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.755 3.950 -2.900 1.00 0.00 H new ATOM 306 N ALA A 23 5.376 4.831 -5.721 1.00 0.00 N ATOM 307 CA ALA A 23 6.819 4.943 -5.893 1.00 0.00 C ATOM 308 C ALA A 23 7.445 5.760 -4.768 1.00 0.00 C ATOM 309 O ALA A 23 6.818 6.669 -4.223 1.00 0.00 O ATOM 310 CB ALA A 23 7.142 5.566 -7.243 1.00 0.00 C ATOM 0 H ALA A 23 4.843 5.608 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 23 7.243 3.940 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.223 5.644 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.736 4.941 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.698 6.560 -7.300 1.00 0.00 H new ATOM 316 N ALA A 24 8.685 5.429 -4.424 1.00 0.00 N ATOM 317 CA ALA A 24 9.398 6.131 -3.364 1.00 0.00 C ATOM 318 C ALA A 24 10.463 7.057 -3.940 1.00 0.00 C ATOM 319 O ALA A 24 11.580 6.629 -4.234 1.00 0.00 O ATOM 320 CB ALA A 24 10.026 5.133 -2.403 1.00 0.00 C ATOM 0 H ALA A 24 9.217 4.678 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 24 8.680 6.743 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.556 5.670 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.246 4.515 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.727 4.498 -2.945 1.00 0.00 H new ATOM 414 N TYR A 32 15.146 0.717 3.851 1.00 0.00 N ATOM 415 CA TYR A 32 13.859 1.397 3.857 1.00 0.00 C ATOM 416 C TYR A 32 12.794 0.557 3.157 1.00 0.00 C ATOM 417 O TYR A 32 12.842 0.360 1.942 1.00 0.00 O ATOM 418 CB TYR A 32 13.991 2.754 3.163 1.00 0.00 C ATOM 419 CG TYR A 32 13.314 3.892 3.892 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.770 4.314 5.134 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.226 4.550 3.334 1.00 0.00 C ATOM 422 CE1 TYR A 32 13.160 5.359 5.801 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.610 5.596 3.995 1.00 0.00 C ATOM 424 CZ TYR A 32 12.081 5.996 5.228 1.00 0.00 C ATOM 425 OH TYR A 32 11.471 7.038 5.888 1.00 0.00 O ATOM 0 HA TYR A 32 13.551 1.544 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 32 15.049 2.989 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.571 2.679 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.616 3.817 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.855 4.240 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 32 13.527 5.675 6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.764 6.097 3.548 1.00 0.00 H new ATOM 0 HH TYR A 32 12.130 7.505 6.443 1.00 0.00 H new ATOM 435 N ASP A 33 11.836 0.064 3.935 1.00 0.00 N ATOM 436 CA ASP A 33 10.755 -0.758 3.395 1.00 0.00 C ATOM 437 C ASP A 33 9.603 0.110 2.898 1.00 0.00 C ATOM 438 O ASP A 33 9.645 1.336 3.006 1.00 0.00 O ATOM 439 CB ASP A 33 10.244 -1.747 4.450 1.00 0.00 C ATOM 440 CG ASP A 33 10.204 -1.155 5.846 1.00 0.00 C ATOM 441 OD1 ASP A 33 9.661 -0.042 6.002 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.717 -1.804 6.781 1.00 0.00 O ATOM 0 H ASP A 33 11.785 0.219 4.942 1.00 0.00 H new ATOM 0 HA ASP A 33 11.157 -1.319 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.244 -2.080 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.884 -2.629 4.453 1.00 0.00 H new ATOM 447 N MET A 34 8.575 -0.533 2.352 1.00 0.00 N ATOM 448 CA MET A 34 7.412 0.182 1.838 1.00 0.00 C ATOM 449 C MET A 34 6.138 -0.634 2.032 1.00 0.00 C ATOM 450 O MET A 34 6.098 -1.822 1.714 1.00 0.00 O ATOM 451 CB MET A 34 7.605 0.510 0.355 1.00 0.00 C ATOM 452 CG MET A 34 7.977 1.961 0.097 1.00 0.00 C ATOM 453 SD MET A 34 8.583 2.235 -1.579 1.00 0.00 S ATOM 454 CE MET A 34 10.351 2.281 -1.296 1.00 0.00 C ATOM 0 H MET A 34 8.524 -1.547 2.254 1.00 0.00 H new ATOM 0 HA MET A 34 7.311 1.111 2.399 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.384 -0.134 -0.053 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.686 0.278 -0.183 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.106 2.592 0.272 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.742 2.268 0.810 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.871 2.355 -2.251 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.599 3.146 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.661 1.370 -0.784 1.00 0.00 H new ATOM 464 N GLY A 35 5.099 0.011 2.554 1.00 0.00 N ATOM 465 CA GLY A 35 3.839 -0.675 2.780 1.00 0.00 C ATOM 466 C GLY A 35 2.642 0.246 2.654 1.00 0.00 C ATOM 467 O GLY A 35 2.744 1.446 2.910 1.00 0.00 O ATOM 0 H GLY A 35 5.107 0.995 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.741 -1.492 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.846 -1.121 3.774 1.00 0.00 H new ATOM 471 N TRP A 36 1.503 -0.315 2.257 1.00 0.00 N ATOM 472 CA TRP A 36 0.286 0.460 2.096 1.00 0.00 C ATOM 473 C TRP A 36 -0.500 0.532 3.395 1.00 0.00 C ATOM 474 O TRP A 36 -0.363 -0.322 4.272 1.00 0.00 O ATOM 475 CB TRP A 36 -0.578 -0.145 1.000 1.00 0.00 C ATOM 476 CG TRP A 36 -0.014 0.032 -0.377 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.957 -0.724 -0.967 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.388 1.027 -1.337 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.210 -0.261 -2.235 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.397 0.814 -2.486 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.310 2.078 -1.337 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.288 1.613 -3.622 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.418 2.870 -2.465 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.623 2.633 -3.594 1.00 0.00 C ATOM 0 H TRP A 36 1.402 -1.307 2.041 1.00 0.00 H new ATOM 0 HA TRP A 36 0.569 1.474 1.815 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.706 -1.209 1.197 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.569 0.308 1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.454 -1.564 -0.504 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.892 -0.653 -2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.927 2.268 -0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.901 1.434 -4.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.127 3.685 -2.476 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.732 3.269 -4.460 1.00 0.00 H new ATOM 495 N PHE A 37 -1.316 1.570 3.512 1.00 0.00 N ATOM 496 CA PHE A 37 -2.120 1.785 4.696 1.00 0.00 C ATOM 497 C PHE A 37 -3.522 2.258 4.318 1.00 0.00 C ATOM 498 O PHE A 37 -3.840 2.403 3.138 1.00 0.00 O ATOM 499 CB PHE A 37 -1.445 2.833 5.572 1.00 0.00 C ATOM 500 CG PHE A 37 -0.503 2.260 6.589 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.671 1.638 6.196 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.791 2.348 7.941 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.539 1.112 7.134 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.073 1.825 8.883 1.00 0.00 C ATOM 505 CZ PHE A 37 1.240 1.204 8.479 1.00 0.00 C ATOM 0 H PHE A 37 -1.436 2.281 2.790 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.209 0.844 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.897 3.527 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.212 3.411 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.910 1.563 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.702 2.831 8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.451 0.629 6.815 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.163 1.901 9.934 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.916 0.792 9.213 1.00 0.00 H new ATOM 515 N ARG A 38 -4.353 2.505 5.325 1.00 0.00 N ATOM 516 CA ARG A 38 -5.715 2.971 5.091 1.00 0.00 C ATOM 517 C ARG A 38 -6.136 3.979 6.155 1.00 0.00 C ATOM 518 O ARG A 38 -5.523 4.064 7.220 1.00 0.00 O ATOM 519 CB ARG A 38 -6.696 1.804 5.070 1.00 0.00 C ATOM 520 CG ARG A 38 -6.076 0.469 4.686 1.00 0.00 C ATOM 521 CD ARG A 38 -7.139 -0.602 4.504 1.00 0.00 C ATOM 522 NE ARG A 38 -7.792 -0.947 5.765 1.00 0.00 N ATOM 523 CZ ARG A 38 -7.332 -1.863 6.616 1.00 0.00 C ATOM 524 NH1 ARG A 38 -6.214 -2.527 6.351 1.00 0.00 N ATOM 525 NH2 ARG A 38 -7.993 -2.114 7.738 1.00 0.00 N ATOM 0 H ARG A 38 -4.108 2.391 6.309 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.732 3.460 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.151 1.709 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.499 2.033 4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.508 0.582 3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.371 0.158 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.887 -0.253 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.684 -1.495 4.075 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.653 -0.457 6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.700 -2.338 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.869 -3.227 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.852 -1.606 7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.642 -2.815 8.391 1.00 0.00 H new ATOM 539 N GLN A 39 -7.185 4.744 5.861 1.00 0.00 N ATOM 540 CA GLN A 39 -7.681 5.746 6.797 1.00 0.00 C ATOM 541 C GLN A 39 -9.191 5.926 6.664 1.00 0.00 C ATOM 542 O GLN A 39 -9.700 6.222 5.583 1.00 0.00 O ATOM 543 CB GLN A 39 -6.972 7.083 6.563 1.00 0.00 C ATOM 544 CG GLN A 39 -6.074 7.504 7.715 1.00 0.00 C ATOM 545 CD GLN A 39 -6.824 7.615 9.027 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.055 7.648 9.052 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.084 7.674 10.128 1.00 0.00 N ATOM 0 H GLN A 39 -7.705 4.689 4.985 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.468 5.398 7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.375 7.014 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.720 7.857 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.265 6.782 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.615 8.464 7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.067 7.643 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.533 7.750 11.041 1.00 0.00 H new ATOM 556 N ALA A 40 -9.901 5.752 7.775 1.00 0.00 N ATOM 557 CA ALA A 40 -11.352 5.901 7.792 1.00 0.00 C ATOM 558 C ALA A 40 -11.769 7.021 8.741 1.00 0.00 C ATOM 559 O ALA A 40 -11.021 7.382 9.650 1.00 0.00 O ATOM 560 CB ALA A 40 -12.014 4.591 8.192 1.00 0.00 C ATOM 0 H ALA A 40 -9.493 5.507 8.677 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.682 6.165 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.097 4.718 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.745 3.814 7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.675 4.301 9.187 1.00 0.00 H new ATOM 566 N PRO A 41 -12.969 7.592 8.544 1.00 0.00 N ATOM 567 CA PRO A 41 -13.468 8.678 9.392 1.00 0.00 C ATOM 568 C PRO A 41 -13.788 8.211 10.801 1.00 0.00 C ATOM 569 O PRO A 41 -14.353 7.135 11.001 1.00 0.00 O ATOM 570 CB PRO A 41 -14.733 9.149 8.671 1.00 0.00 C ATOM 571 CG PRO A 41 -15.180 7.967 7.881 1.00 0.00 C ATOM 572 CD PRO A 41 -13.929 7.231 7.484 1.00 0.00 C ATOM 0 HA PRO A 41 -12.726 9.466 9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.499 9.464 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.526 10.002 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.836 7.329 8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.745 8.277 7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.093 6.154 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.576 7.540 6.500 1.00 0.00 H new ATOM 580 N GLY A 42 -13.396 9.021 11.778 1.00 0.00 N ATOM 581 CA GLY A 42 -13.620 8.668 13.163 1.00 0.00 C ATOM 582 C GLY A 42 -12.744 7.508 13.593 1.00 0.00 C ATOM 583 O GLY A 42 -12.837 7.038 14.727 1.00 0.00 O ATOM 0 H GLY A 42 -12.927 9.915 11.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.417 9.532 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.668 8.406 13.307 1.00 0.00 H new ATOM 587 N LYS A 43 -11.895 7.036 12.678 1.00 0.00 N ATOM 588 CA LYS A 43 -11.010 5.920 12.957 1.00 0.00 C ATOM 589 C LYS A 43 -9.549 6.363 12.945 1.00 0.00 C ATOM 590 O LYS A 43 -9.250 7.548 12.803 1.00 0.00 O ATOM 591 CB LYS A 43 -11.236 4.839 11.908 1.00 0.00 C ATOM 592 CG LYS A 43 -11.033 3.423 12.426 1.00 0.00 C ATOM 593 CD LYS A 43 -12.332 2.633 12.416 1.00 0.00 C ATOM 594 CE LYS A 43 -12.076 1.137 12.502 1.00 0.00 C ATOM 595 NZ LYS A 43 -11.343 0.769 13.746 1.00 0.00 N ATOM 0 H LYS A 43 -11.807 7.416 11.736 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.232 5.530 13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.250 4.931 11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.557 5.010 11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.291 2.913 11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.636 3.459 13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.955 2.945 13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.888 2.856 11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.026 0.604 12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.501 0.817 11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.307 -0.267 13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.375 1.147 13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.835 1.170 14.570 1.00 0.00 H new ATOM 609 N GLU A 44 -8.643 5.400 13.089 1.00 0.00 N ATOM 610 CA GLU A 44 -7.214 5.686 13.087 1.00 0.00 C ATOM 611 C GLU A 44 -6.553 5.113 11.838 1.00 0.00 C ATOM 612 O GLU A 44 -7.233 4.640 10.927 1.00 0.00 O ATOM 613 CB GLU A 44 -6.554 5.109 14.341 1.00 0.00 C ATOM 614 CG GLU A 44 -6.650 3.595 14.437 1.00 0.00 C ATOM 615 CD GLU A 44 -5.432 2.975 15.094 1.00 0.00 C ATOM 616 OE1 GLU A 44 -4.301 3.369 14.740 1.00 0.00 O ATOM 617 OE2 GLU A 44 -5.610 2.095 15.962 1.00 0.00 O ATOM 0 H GLU A 44 -8.875 4.414 13.209 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.082 6.768 13.085 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.504 5.400 14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.019 5.551 15.222 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.541 3.326 15.005 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.771 3.178 13.437 1.00 0.00 H new ATOM 624 N ARG A 45 -5.226 5.158 11.799 1.00 0.00 N ATOM 625 CA ARG A 45 -4.480 4.642 10.657 1.00 0.00 C ATOM 626 C ARG A 45 -4.392 3.118 10.709 1.00 0.00 C ATOM 627 O ARG A 45 -3.948 2.546 11.704 1.00 0.00 O ATOM 628 CB ARG A 45 -3.075 5.254 10.617 1.00 0.00 C ATOM 629 CG ARG A 45 -2.099 4.626 11.600 1.00 0.00 C ATOM 630 CD ARG A 45 -0.869 5.497 11.805 1.00 0.00 C ATOM 631 NE ARG A 45 -0.350 6.022 10.543 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.681 7.208 10.035 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.538 7.999 10.668 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.153 7.603 8.885 1.00 0.00 N ATOM 0 H ARG A 45 -4.646 5.545 12.543 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.012 4.923 9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.674 5.153 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.149 6.321 10.825 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.597 4.468 12.557 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.794 3.646 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.119 6.326 12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.092 4.916 12.302 1.00 0.00 H new ATOM 0 HE ARG A 45 0.307 5.444 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.950 7.701 11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.785 8.905 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.505 6.999 8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.404 8.511 8.493 1.00 0.00 H new ATOM 648 N GLU A 46 -4.819 2.468 9.632 1.00 0.00 N ATOM 649 CA GLU A 46 -4.789 1.011 9.555 1.00 0.00 C ATOM 650 C GLU A 46 -3.950 0.558 8.368 1.00 0.00 C ATOM 651 O GLU A 46 -4.262 0.877 7.224 1.00 0.00 O ATOM 652 CB GLU A 46 -6.207 0.438 9.430 1.00 0.00 C ATOM 653 CG GLU A 46 -7.296 1.325 10.018 1.00 0.00 C ATOM 654 CD GLU A 46 -8.071 0.642 11.128 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.483 -0.212 11.824 1.00 0.00 O ATOM 656 OE2 GLU A 46 -9.266 0.961 11.301 1.00 0.00 O ATOM 0 H GLU A 46 -5.190 2.927 8.800 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.341 0.638 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.425 0.266 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.239 -0.533 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.845 2.239 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.986 1.619 9.227 1.00 0.00 H new ATOM 663 N SER A 47 -2.885 -0.186 8.640 1.00 0.00 N ATOM 664 CA SER A 47 -2.017 -0.671 7.587 1.00 0.00 C ATOM 665 C SER A 47 -2.703 -1.758 6.782 1.00 0.00 C ATOM 666 O SER A 47 -3.774 -2.243 7.146 1.00 0.00 O ATOM 667 CB SER A 47 -0.709 -1.202 8.170 1.00 0.00 C ATOM 668 OG SER A 47 0.278 -1.371 7.166 1.00 0.00 O ATOM 0 H SER A 47 -2.606 -0.464 9.581 1.00 0.00 H new ATOM 0 HA SER A 47 -1.793 0.165 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.342 -0.512 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.891 -2.155 8.666 1.00 0.00 H new ATOM 0 HG SER A 47 0.520 -0.497 6.795 1.00 0.00 H new ATOM 674 N VAL A 48 -2.072 -2.128 5.687 1.00 0.00 N ATOM 675 CA VAL A 48 -2.604 -3.161 4.804 1.00 0.00 C ATOM 676 C VAL A 48 -1.544 -4.203 4.463 1.00 0.00 C ATOM 677 O VAL A 48 -1.629 -5.351 4.898 1.00 0.00 O ATOM 678 CB VAL A 48 -3.159 -2.567 3.498 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.177 -3.509 2.874 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.770 -1.194 3.741 1.00 0.00 C ATOM 0 H VAL A 48 -1.184 -1.730 5.381 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.418 -3.639 5.349 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.331 -2.446 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.559 -3.072 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.701 -4.465 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.002 -3.666 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.155 -0.796 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.585 -1.280 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.008 -0.521 4.135 1.00 0.00 H new ATOM 690 N ALA A 49 -0.548 -3.800 3.681 1.00 0.00 N ATOM 691 CA ALA A 49 0.521 -4.707 3.286 1.00 0.00 C ATOM 692 C ALA A 49 1.851 -3.977 3.180 1.00 0.00 C ATOM 693 O ALA A 49 1.956 -2.943 2.523 1.00 0.00 O ATOM 694 CB ALA A 49 0.181 -5.387 1.968 1.00 0.00 C ATOM 0 H ALA A 49 -0.460 -2.854 3.310 1.00 0.00 H new ATOM 0 HA ALA A 49 0.617 -5.470 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.990 -6.061 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.743 -5.955 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.052 -4.632 1.192 1.00 0.00 H new ATOM 700 N ALA A 50 2.866 -4.526 3.836 1.00 0.00 N ATOM 701 CA ALA A 50 4.194 -3.931 3.822 1.00 0.00 C ATOM 702 C ALA A 50 5.234 -4.922 3.318 1.00 0.00 C ATOM 703 O ALA A 50 5.139 -6.119 3.574 1.00 0.00 O ATOM 704 CB ALA A 50 4.558 -3.440 5.212 1.00 0.00 C ATOM 0 H ALA A 50 2.793 -5.383 4.384 1.00 0.00 H new ATOM 0 HA ALA A 50 4.182 -3.083 3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.553 -2.996 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.834 -2.692 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.549 -4.279 5.908 1.00 0.00 H new ATOM 710 N ILE A 51 6.225 -4.419 2.596 1.00 0.00 N ATOM 711 CA ILE A 51 7.276 -5.268 2.055 1.00 0.00 C ATOM 712 C ILE A 51 8.659 -4.728 2.400 1.00 0.00 C ATOM 713 O ILE A 51 8.867 -3.515 2.462 1.00 0.00 O ATOM 714 CB ILE A 51 7.151 -5.400 0.525 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.174 -6.404 -0.012 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.328 -4.045 -0.144 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.878 -7.836 0.378 1.00 0.00 C ATOM 0 H ILE A 51 6.323 -3.429 2.372 1.00 0.00 H new ATOM 0 HA ILE A 51 7.156 -6.251 2.511 1.00 0.00 H new ATOM 0 HB ILE A 51 6.152 -5.769 0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.206 -6.331 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.164 -6.133 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.237 -4.158 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.561 -3.359 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.313 -3.646 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.643 -8.492 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.875 -7.924 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.902 -8.125 -0.012 1.00 0.00 H new ATOM 729 N ASN A 52 9.602 -5.639 2.617 1.00 0.00 N ATOM 730 CA ASN A 52 10.968 -5.258 2.951 1.00 0.00 C ATOM 731 C ASN A 52 11.797 -5.055 1.685 1.00 0.00 C ATOM 732 O ASN A 52 11.249 -4.889 0.595 1.00 0.00 O ATOM 733 CB ASN A 52 11.611 -6.319 3.838 1.00 0.00 C ATOM 734 CG ASN A 52 12.508 -5.719 4.905 1.00 0.00 C ATOM 735 OD1 ASN A 52 12.266 -4.611 5.385 1.00 0.00 O ATOM 736 ND2 ASN A 52 13.551 -6.450 5.280 1.00 0.00 N ATOM 0 H ASN A 52 9.445 -6.646 2.567 1.00 0.00 H new ATOM 0 HA ASN A 52 10.937 -4.315 3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.830 -6.911 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.194 -7.001 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.190 -6.099 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.713 -7.363 4.855 1.00 0.00 H new ATOM 800 N ARG A 57 9.961 -11.238 1.748 1.00 0.00 N ATOM 801 CA ARG A 57 8.909 -11.380 2.750 1.00 0.00 C ATOM 802 C ARG A 57 8.089 -10.098 2.874 1.00 0.00 C ATOM 803 O ARG A 57 8.633 -8.992 2.838 1.00 0.00 O ATOM 804 CB ARG A 57 9.514 -11.750 4.107 1.00 0.00 C ATOM 805 CG ARG A 57 9.182 -13.165 4.554 1.00 0.00 C ATOM 806 CD ARG A 57 8.740 -13.202 6.008 1.00 0.00 C ATOM 807 NE ARG A 57 9.839 -13.546 6.907 1.00 0.00 N ATOM 808 CZ ARG A 57 9.669 -13.983 8.153 1.00 0.00 C ATOM 809 NH1 ARG A 57 8.448 -14.132 8.651 1.00 0.00 N ATOM 810 NH2 ARG A 57 10.724 -14.272 8.903 1.00 0.00 N ATOM 0 HA ARG A 57 8.243 -12.180 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.597 -11.639 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.157 -11.047 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.392 -13.571 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.055 -13.804 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.334 -12.230 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.936 -13.929 6.124 1.00 0.00 H new ATOM 0 HE ARG A 57 10.793 -13.445 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.633 -13.911 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.324 -14.467 9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.665 -14.159 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.595 -14.607 9.858 1.00 0.00 H new ATOM 824 N THR A 58 6.777 -10.257 3.020 1.00 0.00 N ATOM 825 CA THR A 58 5.878 -9.119 3.150 1.00 0.00 C ATOM 826 C THR A 58 5.133 -9.163 4.481 1.00 0.00 C ATOM 827 O THR A 58 5.357 -10.053 5.302 1.00 0.00 O ATOM 828 CB THR A 58 4.879 -9.098 1.991 1.00 0.00 C ATOM 829 OG1 THR A 58 5.272 -9.999 0.970 1.00 0.00 O ATOM 830 CG2 THR A 58 4.724 -7.731 1.361 1.00 0.00 C ATOM 0 H THR A 58 6.314 -11.165 3.051 1.00 0.00 H new ATOM 0 HA THR A 58 6.476 -8.208 3.121 1.00 0.00 H new ATOM 0 HB THR A 58 3.925 -9.391 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.619 -9.971 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.002 -7.786 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.372 -7.023 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.686 -7.399 0.971 1.00 0.00 H new ATOM 838 N TYR A 59 4.252 -8.193 4.686 1.00 0.00 N ATOM 839 CA TYR A 59 3.471 -8.106 5.912 1.00 0.00 C ATOM 840 C TYR A 59 2.020 -7.751 5.604 1.00 0.00 C ATOM 841 O TYR A 59 1.657 -6.576 5.559 1.00 0.00 O ATOM 842 CB TYR A 59 4.078 -7.056 6.846 1.00 0.00 C ATOM 843 CG TYR A 59 3.223 -6.741 8.055 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.546 -7.747 8.735 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.089 -5.436 8.512 1.00 0.00 C ATOM 846 CE1 TYR A 59 1.761 -7.461 9.836 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.305 -5.142 9.612 1.00 0.00 C ATOM 848 CZ TYR A 59 1.644 -6.157 10.270 1.00 0.00 C ATOM 849 OH TYR A 59 0.863 -5.867 11.364 1.00 0.00 O ATOM 0 H TYR A 59 4.060 -7.451 4.014 1.00 0.00 H new ATOM 0 HA TYR A 59 3.492 -9.079 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.053 -7.406 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.246 -6.138 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.635 -8.769 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.606 -4.638 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.242 -8.254 10.354 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.211 -4.122 9.954 1.00 0.00 H new ATOM 0 HH TYR A 59 0.889 -4.903 11.538 1.00 0.00 H new ATOM 859 N TYR A 60 1.197 -8.772 5.392 1.00 0.00 N ATOM 860 CA TYR A 60 -0.209 -8.572 5.088 1.00 0.00 C ATOM 861 C TYR A 60 -0.993 -8.216 6.347 1.00 0.00 C ATOM 862 O TYR A 60 -0.577 -8.536 7.461 1.00 0.00 O ATOM 863 CB TYR A 60 -0.783 -9.837 4.454 1.00 0.00 C ATOM 864 CG TYR A 60 -0.135 -10.201 3.137 1.00 0.00 C ATOM 865 CD1 TYR A 60 1.039 -10.944 3.102 1.00 0.00 C ATOM 866 CD2 TYR A 60 -0.695 -9.801 1.931 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.635 -11.278 1.901 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.105 -10.131 0.726 1.00 0.00 C ATOM 869 CZ TYR A 60 1.060 -10.870 0.716 1.00 0.00 C ATOM 870 OH TYR A 60 1.651 -11.201 -0.482 1.00 0.00 O ATOM 0 H TYR A 60 1.484 -9.750 5.426 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.298 -7.742 4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.665 -10.668 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.853 -9.702 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.493 -11.265 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.607 -9.222 1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.547 -11.856 1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.553 -9.812 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 60 1.119 -10.838 -1.221 1.00 0.00 H new ATOM 880 N ALA A 61 -2.129 -7.550 6.164 1.00 0.00 N ATOM 881 CA ALA A 61 -2.969 -7.150 7.286 1.00 0.00 C ATOM 882 C ALA A 61 -4.268 -7.950 7.317 1.00 0.00 C ATOM 883 O ALA A 61 -4.611 -8.640 6.354 1.00 0.00 O ATOM 884 CB ALA A 61 -3.268 -5.660 7.215 1.00 0.00 C ATOM 0 H ALA A 61 -2.488 -7.276 5.249 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.424 -7.359 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.896 -5.374 8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.334 -5.099 7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.788 -5.437 6.283 1.00 0.00 H new ATOM 890 N SER A 62 -4.991 -7.852 8.427 1.00 0.00 N ATOM 891 CA SER A 62 -6.247 -8.567 8.576 1.00 0.00 C ATOM 892 C SER A 62 -7.306 -7.984 7.653 1.00 0.00 C ATOM 893 O SER A 62 -7.244 -6.812 7.284 1.00 0.00 O ATOM 894 CB SER A 62 -6.726 -8.511 10.028 1.00 0.00 C ATOM 895 OG SER A 62 -7.372 -7.281 10.306 1.00 0.00 O ATOM 0 H SER A 62 -4.727 -7.285 9.233 1.00 0.00 H new ATOM 0 HA SER A 62 -6.081 -9.609 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.411 -9.337 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.877 -8.639 10.699 1.00 0.00 H new ATOM 0 HG SER A 62 -7.670 -7.272 11.240 1.00 0.00 H new ATOM 901 N SER A 63 -8.263 -8.825 7.264 1.00 0.00 N ATOM 902 CA SER A 63 -9.338 -8.424 6.357 1.00 0.00 C ATOM 903 C SER A 63 -8.896 -8.578 4.903 1.00 0.00 C ATOM 904 O SER A 63 -9.716 -8.512 3.986 1.00 0.00 O ATOM 905 CB SER A 63 -9.782 -6.980 6.622 1.00 0.00 C ATOM 906 OG SER A 63 -11.184 -6.843 6.471 1.00 0.00 O ATOM 0 H SER A 63 -8.316 -9.798 7.566 1.00 0.00 H new ATOM 0 HA SER A 63 -10.189 -9.080 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.491 -6.686 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.271 -6.307 5.934 1.00 0.00 H new ATOM 0 HG SER A 63 -11.443 -5.914 6.647 1.00 0.00 H new ATOM 912 N VAL A 64 -7.596 -8.791 4.696 1.00 0.00 N ATOM 913 CA VAL A 64 -7.054 -8.961 3.355 1.00 0.00 C ATOM 914 C VAL A 64 -5.810 -9.850 3.365 1.00 0.00 C ATOM 915 O VAL A 64 -5.051 -9.876 2.397 1.00 0.00 O ATOM 916 CB VAL A 64 -6.698 -7.605 2.719 1.00 0.00 C ATOM 917 CG1 VAL A 64 -7.942 -6.741 2.572 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.635 -6.888 3.539 1.00 0.00 C ATOM 0 H VAL A 64 -6.902 -8.849 5.442 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.831 -9.442 2.761 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.291 -7.789 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.671 -5.787 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.666 -7.251 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.382 -6.566 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.398 -5.932 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.009 -6.716 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.735 -7.502 3.585 1.00 0.00 H new ATOM 928 N ARG A 65 -5.603 -10.576 4.464 1.00 0.00 N ATOM 929 CA ARG A 65 -4.461 -11.454 4.596 1.00 0.00 C ATOM 930 C ARG A 65 -4.607 -12.664 3.693 1.00 0.00 C ATOM 931 O ARG A 65 -4.983 -13.751 4.130 1.00 0.00 O ATOM 932 CB ARG A 65 -4.308 -11.891 6.047 1.00 0.00 C ATOM 933 CG ARG A 65 -2.868 -12.123 6.461 1.00 0.00 C ATOM 934 CD ARG A 65 -2.710 -13.415 7.248 1.00 0.00 C ATOM 935 NE ARG A 65 -1.742 -13.278 8.333 1.00 0.00 N ATOM 936 CZ ARG A 65 -1.678 -14.100 9.378 1.00 0.00 C ATOM 937 NH1 ARG A 65 -2.527 -15.114 9.486 1.00 0.00 N ATOM 938 NH2 ARG A 65 -0.764 -13.906 10.318 1.00 0.00 N ATOM 0 H ARG A 65 -6.221 -10.566 5.275 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.566 -10.910 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.746 -11.132 6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.875 -12.809 6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.235 -12.158 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.524 -11.284 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.676 -13.710 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.392 -14.212 6.576 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.076 -12.507 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.233 -15.267 8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.473 -15.741 10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.110 -13.127 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.715 -14.536 11.119 1.00 0.00 H new ATOM 952 N GLY A 66 -4.314 -12.447 2.427 1.00 0.00 N ATOM 953 CA GLY A 66 -4.415 -13.497 1.439 1.00 0.00 C ATOM 954 C GLY A 66 -5.334 -13.112 0.297 1.00 0.00 C ATOM 955 O GLY A 66 -5.597 -13.917 -0.597 1.00 0.00 O ATOM 0 H GLY A 66 -4.003 -11.548 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.423 -13.723 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.785 -14.406 1.912 1.00 0.00 H new ATOM 959 N ARG A 67 -5.828 -11.876 0.332 1.00 0.00 N ATOM 960 CA ARG A 67 -6.729 -11.386 -0.706 1.00 0.00 C ATOM 961 C ARG A 67 -6.083 -10.258 -1.506 1.00 0.00 C ATOM 962 O ARG A 67 -6.217 -10.196 -2.728 1.00 0.00 O ATOM 963 CB ARG A 67 -8.042 -10.900 -0.084 1.00 0.00 C ATOM 964 CG ARG A 67 -8.486 -11.721 1.117 1.00 0.00 C ATOM 965 CD ARG A 67 -9.854 -11.288 1.620 1.00 0.00 C ATOM 966 NE ARG A 67 -9.859 -11.078 3.065 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.931 -11.245 3.839 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.096 -11.597 3.310 1.00 0.00 N ATOM 969 NH2 ARG A 67 -10.837 -11.053 5.148 1.00 0.00 N ATOM 0 H ARG A 67 -5.620 -11.199 1.066 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.939 -12.212 -1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.927 -9.859 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.825 -10.927 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.515 -12.776 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.754 -11.618 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.151 -10.367 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.593 -12.046 1.360 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.989 -10.786 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.176 -11.742 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.911 -11.723 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.946 -10.778 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.656 -11.180 5.742 1.00 0.00 H new ATOM 983 N PHE A 68 -5.385 -9.368 -0.809 1.00 0.00 N ATOM 984 CA PHE A 68 -4.721 -8.243 -1.455 1.00 0.00 C ATOM 985 C PHE A 68 -3.270 -8.584 -1.787 1.00 0.00 C ATOM 986 O PHE A 68 -2.465 -8.844 -0.893 1.00 0.00 O ATOM 987 CB PHE A 68 -4.773 -7.007 -0.551 1.00 0.00 C ATOM 988 CG PHE A 68 -6.124 -6.341 -0.491 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.271 -7.004 -0.907 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.244 -5.046 -0.012 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.507 -6.387 -0.846 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.477 -4.425 0.050 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.610 -5.096 -0.367 1.00 0.00 C ATOM 0 H PHE A 68 -5.265 -9.404 0.203 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.246 -8.028 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.478 -7.296 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.039 -6.282 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.197 -8.014 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.363 -4.515 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.391 -6.914 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.555 -3.415 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.574 -4.612 -0.319 1.00 0.00 H new ATOM 1003 N THR A 69 -2.943 -8.581 -3.077 1.00 0.00 N ATOM 1004 CA THR A 69 -1.588 -8.889 -3.521 1.00 0.00 C ATOM 1005 C THR A 69 -0.678 -7.683 -3.352 1.00 0.00 C ATOM 1006 O THR A 69 -1.133 -6.540 -3.367 1.00 0.00 O ATOM 1007 CB THR A 69 -1.592 -9.345 -4.981 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.600 -10.317 -5.200 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.275 -9.942 -5.426 1.00 0.00 C ATOM 0 H THR A 69 -3.597 -8.369 -3.831 1.00 0.00 H new ATOM 0 HA THR A 69 -1.206 -9.700 -2.902 1.00 0.00 H new ATOM 0 HB THR A 69 -1.779 -8.443 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.588 -10.595 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.347 -10.244 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.516 -9.200 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.044 -10.812 -4.812 1.00 0.00 H new ATOM 1017 N ILE A 70 0.607 -7.956 -3.170 1.00 0.00 N ATOM 1018 CA ILE A 70 1.594 -6.910 -2.969 1.00 0.00 C ATOM 1019 C ILE A 70 2.948 -7.319 -3.539 1.00 0.00 C ATOM 1020 O ILE A 70 3.397 -8.451 -3.359 1.00 0.00 O ATOM 1021 CB ILE A 70 1.717 -6.595 -1.470 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.601 -5.367 -1.225 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.228 -7.813 -0.716 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.057 -5.576 -1.561 1.00 0.00 C ATOM 0 H ILE A 70 0.990 -8.901 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 70 1.265 -6.016 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 70 0.725 -6.351 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.219 -4.535 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.519 -5.078 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.310 -7.576 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.533 -8.642 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.208 -8.095 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.612 -4.660 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.459 -6.385 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.154 -5.834 -2.616 1.00 0.00 H new ATOM 1036 N SER A 71 3.592 -6.384 -4.228 1.00 0.00 N ATOM 1037 CA SER A 71 4.897 -6.629 -4.831 1.00 0.00 C ATOM 1038 C SER A 71 5.601 -5.312 -5.153 1.00 0.00 C ATOM 1039 O SER A 71 5.210 -4.254 -4.660 1.00 0.00 O ATOM 1040 CB SER A 71 4.743 -7.466 -6.103 1.00 0.00 C ATOM 1041 OG SER A 71 3.851 -8.548 -5.897 1.00 0.00 O ATOM 0 H SER A 71 3.229 -5.444 -4.384 1.00 0.00 H new ATOM 0 HA SER A 71 5.507 -7.180 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.375 -6.837 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.717 -7.847 -6.411 1.00 0.00 H new ATOM 0 HG SER A 71 3.908 -8.846 -4.965 1.00 0.00 H new ATOM 1047 N ARG A 72 6.640 -5.383 -5.980 1.00 0.00 N ATOM 1048 CA ARG A 72 7.396 -4.194 -6.364 1.00 0.00 C ATOM 1049 C ARG A 72 7.767 -4.237 -7.844 1.00 0.00 C ATOM 1050 O ARG A 72 7.602 -5.262 -8.505 1.00 0.00 O ATOM 1051 CB ARG A 72 8.662 -4.069 -5.512 1.00 0.00 C ATOM 1052 CG ARG A 72 9.360 -5.397 -5.255 1.00 0.00 C ATOM 1053 CD ARG A 72 10.833 -5.339 -5.627 1.00 0.00 C ATOM 1054 NE ARG A 72 11.555 -4.332 -4.853 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.970 -4.515 -3.602 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.729 -5.661 -2.977 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.629 -3.551 -2.974 1.00 0.00 N ATOM 0 H ARG A 72 6.978 -6.250 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 72 6.764 -3.323 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.358 -3.393 -6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.403 -3.614 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.261 -5.663 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.870 -6.183 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.287 -6.316 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.930 -5.117 -6.690 1.00 0.00 H new ATOM 0 HE ARG A 72 11.753 -3.436 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.224 -6.406 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.049 -5.796 -2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.818 -2.669 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.947 -3.692 -2.015 1.00 0.00 H new ATOM 1071 N ASP A 73 8.269 -3.117 -8.360 1.00 0.00 N ATOM 1072 CA ASP A 73 8.662 -3.033 -9.764 1.00 0.00 C ATOM 1073 C ASP A 73 10.011 -3.710 -10.004 1.00 0.00 C ATOM 1074 O ASP A 73 10.398 -3.942 -11.149 1.00 0.00 O ATOM 1075 CB ASP A 73 8.729 -1.572 -10.217 1.00 0.00 C ATOM 1076 CG ASP A 73 8.153 -1.372 -11.605 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.001 -1.796 -11.837 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.855 -0.793 -12.461 1.00 0.00 O ATOM 0 H ASP A 73 8.413 -2.258 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 73 7.905 -3.555 -10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.185 -0.949 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.766 -1.238 -10.205 1.00 0.00 H new ATOM 1083 N ASN A 74 10.725 -4.017 -8.919 1.00 0.00 N ATOM 1084 CA ASN A 74 12.034 -4.664 -9.009 1.00 0.00 C ATOM 1085 C ASN A 74 12.899 -4.016 -10.087 1.00 0.00 C ATOM 1086 O ASN A 74 13.606 -4.700 -10.827 1.00 0.00 O ATOM 1087 CB ASN A 74 11.875 -6.162 -9.289 1.00 0.00 C ATOM 1088 CG ASN A 74 11.189 -6.439 -10.612 1.00 0.00 C ATOM 1089 OD1 ASN A 74 9.968 -6.586 -10.672 1.00 0.00 O ATOM 1090 ND2 ASN A 74 11.971 -6.513 -11.682 1.00 0.00 N ATOM 0 H ASN A 74 10.417 -3.827 -7.965 1.00 0.00 H new ATOM 0 HA ASN A 74 12.535 -4.535 -8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.857 -6.634 -9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.300 -6.619 -8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.564 -6.698 -12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.978 -6.385 -11.587 1.00 0.00 H new ATOM 1097 N ALA A 75 12.836 -2.691 -10.168 1.00 0.00 N ATOM 1098 CA ALA A 75 13.610 -1.947 -11.151 1.00 0.00 C ATOM 1099 C ALA A 75 14.113 -0.631 -10.570 1.00 0.00 C ATOM 1100 O ALA A 75 15.294 -0.303 -10.680 1.00 0.00 O ATOM 1101 CB ALA A 75 12.774 -1.692 -12.396 1.00 0.00 C ATOM 0 H ALA A 75 12.255 -2.111 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 75 14.477 -2.547 -11.426 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.365 -1.135 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.468 -2.644 -12.830 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.889 -1.114 -12.128 1.00 0.00 H new ATOM 1107 N LYS A 76 13.208 0.121 -9.952 1.00 0.00 N ATOM 1108 CA LYS A 76 13.558 1.403 -9.353 1.00 0.00 C ATOM 1109 C LYS A 76 13.373 1.365 -7.839 1.00 0.00 C ATOM 1110 O LYS A 76 14.346 1.343 -7.087 1.00 0.00 O ATOM 1111 CB LYS A 76 12.704 2.520 -9.954 1.00 0.00 C ATOM 1112 CG LYS A 76 12.990 2.781 -11.424 1.00 0.00 C ATOM 1113 CD LYS A 76 12.446 4.129 -11.867 1.00 0.00 C ATOM 1114 CE LYS A 76 10.934 4.098 -12.019 1.00 0.00 C ATOM 1115 NZ LYS A 76 10.522 3.875 -13.433 1.00 0.00 N ATOM 0 H LYS A 76 12.226 -0.136 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 76 14.608 1.602 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.651 2.264 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.873 3.438 -9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.065 2.747 -11.598 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.544 1.991 -12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.724 4.891 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.902 4.413 -12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.522 3.307 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.514 5.039 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.484 3.861 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.893 4.643 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.901 2.965 -13.766 1.00 0.00 H new ATOM 1129 N LYS A 77 12.115 1.353 -7.404 1.00 0.00 N ATOM 1130 CA LYS A 77 11.782 1.314 -5.986 1.00 0.00 C ATOM 1131 C LYS A 77 10.304 1.626 -5.773 1.00 0.00 C ATOM 1132 O LYS A 77 9.942 2.396 -4.883 1.00 0.00 O ATOM 1133 CB LYS A 77 12.641 2.305 -5.192 1.00 0.00 C ATOM 1134 CG LYS A 77 12.739 3.679 -5.838 1.00 0.00 C ATOM 1135 CD LYS A 77 14.124 4.286 -5.661 1.00 0.00 C ATOM 1136 CE LYS A 77 14.777 4.600 -6.999 1.00 0.00 C ATOM 1137 NZ LYS A 77 15.316 5.988 -7.041 1.00 0.00 N ATOM 0 H LYS A 77 11.304 1.370 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 77 11.989 0.307 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.225 2.412 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.644 1.894 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.510 3.599 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.992 4.341 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.048 5.199 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.755 3.595 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.584 3.891 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.048 4.469 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.753 6.163 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.542 6.666 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.030 6.106 -6.294 1.00 0.00 H new ATOM 1151 N THR A 78 9.453 1.026 -6.600 1.00 0.00 N ATOM 1152 CA THR A 78 8.014 1.246 -6.506 1.00 0.00 C ATOM 1153 C THR A 78 7.297 -0.003 -6.003 1.00 0.00 C ATOM 1154 O THR A 78 7.687 -1.128 -6.318 1.00 0.00 O ATOM 1155 CB THR A 78 7.451 1.651 -7.869 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.115 2.800 -8.366 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.968 1.954 -7.838 1.00 0.00 C ATOM 0 H THR A 78 9.735 0.385 -7.342 1.00 0.00 H new ATOM 0 HA THR A 78 7.845 2.051 -5.791 1.00 0.00 H new ATOM 0 HB THR A 78 7.616 0.790 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.741 3.042 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.633 2.235 -8.837 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.423 1.070 -7.507 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.779 2.776 -7.148 1.00 0.00 H new ATOM 1165 N VAL A 79 6.240 0.209 -5.225 1.00 0.00 N ATOM 1166 CA VAL A 79 5.453 -0.890 -4.680 1.00 0.00 C ATOM 1167 C VAL A 79 4.091 -0.968 -5.360 1.00 0.00 C ATOM 1168 O VAL A 79 3.486 0.056 -5.674 1.00 0.00 O ATOM 1169 CB VAL A 79 5.254 -0.747 -3.161 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.594 -0.770 -2.442 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.483 0.526 -2.832 1.00 0.00 C ATOM 0 H VAL A 79 5.908 1.136 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 79 6.010 -1.807 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 79 4.665 -1.596 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.433 -0.668 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.099 -1.714 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.211 0.055 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.355 0.605 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.037 1.391 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.505 0.493 -3.312 1.00 0.00 H new ATOM 1181 N TYR A 80 3.618 -2.186 -5.596 1.00 0.00 N ATOM 1182 CA TYR A 80 2.332 -2.389 -6.250 1.00 0.00 C ATOM 1183 C TYR A 80 1.512 -3.446 -5.521 1.00 0.00 C ATOM 1184 O TYR A 80 1.998 -4.545 -5.259 1.00 0.00 O ATOM 1185 CB TYR A 80 2.540 -2.800 -7.707 1.00 0.00 C ATOM 1186 CG TYR A 80 3.558 -1.960 -8.425 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.892 -1.987 -8.048 1.00 0.00 C ATOM 1188 CD2 TYR A 80 3.189 -1.144 -9.484 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.830 -1.222 -8.702 1.00 0.00 C ATOM 1190 CE2 TYR A 80 4.123 -0.376 -10.147 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.441 -0.419 -9.750 1.00 0.00 C ATOM 1192 OH TYR A 80 6.378 0.346 -10.407 1.00 0.00 O ATOM 0 H TYR A 80 4.105 -3.046 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 80 1.783 -1.448 -6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.852 -3.844 -7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.588 -2.734 -8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.200 -2.619 -7.228 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.155 -1.110 -9.794 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.865 -1.251 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.823 0.254 -10.971 1.00 0.00 H new ATOM 0 HH TYR A 80 5.942 0.855 -11.122 1.00 0.00 H new ATOM 1202 N LEU A 81 0.266 -3.115 -5.200 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.609 -4.049 -4.507 1.00 0.00 C ATOM 1204 C LEU A 81 -1.926 -4.211 -5.255 1.00 0.00 C ATOM 1205 O LEU A 81 -2.612 -3.232 -5.554 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.854 -3.594 -3.060 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.062 -2.676 -2.840 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.344 -2.513 -1.354 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -1.826 -1.323 -3.491 1.00 0.00 C ATOM 0 H LEU A 81 -0.158 -2.211 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.115 -5.020 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.978 -4.480 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.039 -3.078 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.934 -3.135 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.205 -1.858 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.556 -3.488 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.474 -2.076 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.693 -0.683 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.943 -0.858 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.673 -1.456 -4.562 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.263 -5.457 -5.559 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.483 -5.773 -6.276 1.00 0.00 C ATOM 1223 C GLN A 82 -4.583 -6.191 -5.306 1.00 0.00 C ATOM 1224 O GLN A 82 -4.648 -7.346 -4.885 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.205 -6.890 -7.273 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.907 -6.710 -8.611 1.00 0.00 C ATOM 1227 CD GLN A 82 -4.873 -7.835 -8.933 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -5.954 -7.601 -9.474 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.488 -9.064 -8.611 1.00 0.00 N ATOM 0 H GLN A 82 -1.699 -6.271 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.823 -4.886 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.130 -6.953 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.515 -7.839 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.449 -5.764 -8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.159 -6.644 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.584 -9.214 -8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.096 -9.858 -8.811 1.00 0.00 H new ATOM 1238 N MET A 83 -5.439 -5.242 -4.948 1.00 0.00 N ATOM 1239 CA MET A 83 -6.531 -5.506 -4.020 1.00 0.00 C ATOM 1240 C MET A 83 -7.687 -6.216 -4.716 1.00 0.00 C ATOM 1241 O MET A 83 -8.615 -5.576 -5.212 1.00 0.00 O ATOM 1242 CB MET A 83 -7.018 -4.199 -3.398 1.00 0.00 C ATOM 1243 CG MET A 83 -5.894 -3.304 -2.917 1.00 0.00 C ATOM 1244 SD MET A 83 -6.194 -1.559 -3.259 1.00 0.00 S ATOM 1245 CE MET A 83 -5.704 -0.827 -1.701 1.00 0.00 C ATOM 0 H MET A 83 -5.398 -4.281 -5.287 1.00 0.00 H new ATOM 0 HA MET A 83 -6.155 -6.161 -3.234 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.615 -3.657 -4.131 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.675 -4.428 -2.559 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.760 -3.441 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.963 -3.608 -3.396 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.269 0.090 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.905 -1.528 -0.891 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.639 -0.597 -1.726 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.625 -7.543 -4.748 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.662 -8.342 -5.379 1.00 0.00 C ATOM 1257 C ASN A 84 -9.781 -8.653 -4.393 1.00 0.00 C ATOM 1258 O ASN A 84 -9.703 -8.295 -3.218 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.079 -9.647 -5.933 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.559 -9.660 -5.981 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.935 -8.729 -6.487 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.958 -10.720 -5.452 1.00 0.00 N ATOM 0 H ASN A 84 -6.864 -8.087 -4.342 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.074 -7.762 -6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.422 -10.479 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.468 -9.812 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.940 -10.784 -5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.515 -11.470 -5.042 1.00 0.00 H new ATOM 1269 N SER A 85 -10.820 -9.329 -4.884 1.00 0.00 N ATOM 1270 CA SER A 85 -11.967 -9.703 -4.058 1.00 0.00 C ATOM 1271 C SER A 85 -12.327 -8.598 -3.067 1.00 0.00 C ATOM 1272 O SER A 85 -12.506 -8.850 -1.875 1.00 0.00 O ATOM 1273 CB SER A 85 -11.666 -11.000 -3.313 1.00 0.00 C ATOM 1274 OG SER A 85 -12.845 -11.762 -3.113 1.00 0.00 O ATOM 0 H SER A 85 -10.890 -9.630 -5.856 1.00 0.00 H new ATOM 0 HA SER A 85 -12.824 -9.851 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.942 -11.587 -3.878 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.210 -10.772 -2.350 1.00 0.00 H new ATOM 0 HG SER A 85 -12.623 -12.588 -2.635 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.420 -7.372 -3.569 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.746 -6.224 -2.732 1.00 0.00 C ATOM 1282 C LEU A 86 -14.200 -6.266 -2.275 1.00 0.00 C ATOM 1283 O LEU A 86 -15.012 -7.023 -2.807 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.470 -4.922 -3.487 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.506 -3.962 -2.785 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.116 -4.058 -3.396 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.025 -2.534 -2.859 1.00 0.00 C ATOM 0 H LEU A 86 -12.274 -7.147 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.112 -6.265 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.065 -5.167 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.416 -4.407 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.440 -4.249 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.445 -3.368 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.741 -5.076 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.165 -3.799 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.326 -1.866 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.122 -2.236 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.999 -2.475 -2.373 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.516 -5.441 -1.283 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.869 -5.368 -0.739 1.00 0.00 C ATOM 1301 C LYS A 87 -16.301 -3.910 -0.592 1.00 0.00 C ATOM 1302 O LYS A 87 -15.525 -2.998 -0.878 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.942 -6.080 0.618 1.00 0.00 C ATOM 1304 CG LYS A 87 -14.891 -7.164 0.808 1.00 0.00 C ATOM 1305 CD LYS A 87 -15.193 -8.390 -0.041 1.00 0.00 C ATOM 1306 CE LYS A 87 -15.622 -9.572 0.814 1.00 0.00 C ATOM 1307 NZ LYS A 87 -14.992 -10.842 0.360 1.00 0.00 N ATOM 0 H LYS A 87 -13.850 -4.810 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.547 -5.869 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.833 -5.340 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.931 -6.524 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.909 -6.770 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.848 -7.450 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.981 -8.153 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.309 -8.660 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.353 -9.385 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.707 -9.672 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.310 -11.624 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.268 -11.034 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.957 -10.756 0.418 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.545 -3.661 -0.140 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.055 -2.302 0.037 1.00 0.00 C ATOM 1323 C PRO A 88 -17.598 -1.666 1.349 1.00 0.00 C ATOM 1324 O PRO A 88 -18.076 -0.599 1.732 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.567 -2.502 0.031 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.772 -3.868 0.595 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.549 -4.677 0.233 1.00 0.00 C ATOM 0 HA PRO A 88 -17.693 -1.624 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.069 -1.745 0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.972 -2.425 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.901 -3.824 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.673 -4.324 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.209 -5.284 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.752 -5.359 -0.592 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.668 -2.328 2.030 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.139 -1.839 3.289 1.00 0.00 C ATOM 1337 C GLU A 89 -14.694 -1.361 3.120 1.00 0.00 C ATOM 1338 O GLU A 89 -14.142 -0.701 4.000 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.223 -2.951 4.336 1.00 0.00 C ATOM 1340 CG GLU A 89 -15.496 -2.638 5.627 1.00 0.00 C ATOM 1341 CD GLU A 89 -16.232 -1.627 6.484 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.258 -1.998 7.091 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -15.782 -0.463 6.548 1.00 0.00 O ATOM 0 H GLU A 89 -16.265 -3.213 1.723 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.732 -0.987 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.272 -3.147 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.811 -3.867 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.360 -3.559 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.502 -2.256 5.396 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.087 -1.694 1.981 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.717 -1.299 1.700 1.00 0.00 C ATOM 1352 C ASP A 90 -12.639 0.179 1.334 1.00 0.00 C ATOM 1353 O ASP A 90 -11.582 0.800 1.443 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.155 -2.151 0.563 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.428 -3.630 0.757 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.611 -4.027 0.704 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.459 -4.391 0.961 1.00 0.00 O ATOM 0 H ASP A 90 -14.528 -2.238 1.239 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.122 -1.458 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.591 -1.825 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.079 -1.990 0.490 1.00 0.00 H new ATOM 1362 N THR A 91 -13.767 0.738 0.902 1.00 0.00 N ATOM 1363 CA THR A 91 -13.834 2.139 0.523 1.00 0.00 C ATOM 1364 C THR A 91 -13.246 3.032 1.614 1.00 0.00 C ATOM 1365 O THR A 91 -13.846 3.209 2.674 1.00 0.00 O ATOM 1366 CB THR A 91 -15.288 2.509 0.260 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.807 1.732 -0.801 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.494 3.968 -0.085 1.00 0.00 C ATOM 0 H THR A 91 -14.649 0.235 0.807 1.00 0.00 H new ATOM 0 HA THR A 91 -13.244 2.293 -0.381 1.00 0.00 H new ATOM 0 HB THR A 91 -15.812 2.310 1.195 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.726 1.464 -0.591 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.554 4.155 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.146 4.590 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.930 4.212 -0.985 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.067 3.588 1.349 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.402 4.455 2.315 1.00 0.00 C ATOM 1378 C ALA A 92 -10.193 5.150 1.696 1.00 0.00 C ATOM 1379 O ALA A 92 -9.962 5.059 0.491 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.983 3.652 3.538 1.00 0.00 C ATOM 0 H ALA A 92 -11.555 3.454 0.477 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.109 5.226 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.488 4.309 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.864 3.210 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.297 2.861 3.236 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.422 5.841 2.532 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.235 6.547 2.073 1.00 0.00 C ATOM 1388 C VAL A 93 -7.010 5.641 2.150 1.00 0.00 C ATOM 1389 O VAL A 93 -6.488 5.376 3.233 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.991 7.816 2.913 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.690 8.497 2.510 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.164 8.775 2.779 1.00 0.00 C ATOM 0 H VAL A 93 -9.601 5.925 3.533 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.401 6.838 1.036 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.904 7.520 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.543 9.389 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.857 7.811 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.737 8.779 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.976 9.666 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.284 9.059 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.074 8.288 3.129 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.562 5.162 0.995 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.414 4.282 0.927 1.00 0.00 C ATOM 1404 C TYR A 94 -4.120 5.081 0.796 1.00 0.00 C ATOM 1405 O TYR A 94 -3.838 5.655 -0.255 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.579 3.343 -0.260 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.326 2.072 0.072 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -5.726 1.060 0.810 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -7.637 1.887 -0.350 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -6.411 -0.100 1.117 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -8.328 0.731 -0.047 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.711 -0.260 0.686 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.396 -1.414 0.990 1.00 0.00 O ATOM 0 H TYR A 94 -6.983 5.373 0.090 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.354 3.703 1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.107 3.867 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.594 3.084 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.708 1.182 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.124 2.661 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.930 -0.878 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.347 0.604 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.070 -1.773 1.842 1.00 0.00 H new ATOM 1423 N THR A 95 -3.339 5.115 1.871 1.00 0.00 N ATOM 1424 CA THR A 95 -2.076 5.847 1.873 1.00 0.00 C ATOM 1425 C THR A 95 -0.891 4.895 1.993 1.00 0.00 C ATOM 1426 O THR A 95 -0.914 3.960 2.791 1.00 0.00 O ATOM 1427 CB THR A 95 -2.051 6.857 3.023 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.147 7.750 2.929 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.786 7.686 3.066 1.00 0.00 C ATOM 0 H THR A 95 -3.557 4.646 2.750 1.00 0.00 H new ATOM 0 HA THR A 95 -1.994 6.380 0.926 1.00 0.00 H new ATOM 0 HB THR A 95 -2.104 6.259 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.115 8.387 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.835 8.381 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.075 7.029 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.686 8.246 2.136 1.00 0.00 H new ATOM 1437 N CYS A 96 0.145 5.141 1.198 1.00 0.00 N ATOM 1438 CA CYS A 96 1.340 4.304 1.221 1.00 0.00 C ATOM 1439 C CYS A 96 2.449 4.965 2.032 1.00 0.00 C ATOM 1440 O CYS A 96 2.426 6.175 2.261 1.00 0.00 O ATOM 1441 CB CYS A 96 1.826 4.030 -0.203 1.00 0.00 C ATOM 1442 SG CYS A 96 2.049 5.528 -1.215 1.00 0.00 S ATOM 0 H CYS A 96 0.182 5.912 0.531 1.00 0.00 H new ATOM 0 HA CYS A 96 1.081 3.357 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.773 3.493 -0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.112 3.373 -0.699 1.00 0.00 H new ATOM 1447 N GLY A 97 3.419 4.167 2.469 1.00 0.00 N ATOM 1448 CA GLY A 97 4.517 4.702 3.252 1.00 0.00 C ATOM 1449 C GLY A 97 5.744 3.811 3.238 1.00 0.00 C ATOM 1450 O GLY A 97 5.813 2.842 2.481 1.00 0.00 O ATOM 0 H GLY A 97 3.464 3.163 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.785 5.686 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.188 4.841 4.282 1.00 0.00 H new ATOM 1454 N ALA A 98 6.714 4.147 4.082 1.00 0.00 N ATOM 1455 CA ALA A 98 7.953 3.385 4.181 1.00 0.00 C ATOM 1456 C ALA A 98 8.433 3.323 5.621 1.00 0.00 C ATOM 1457 O ALA A 98 7.873 3.975 6.503 1.00 0.00 O ATOM 1458 CB ALA A 98 9.022 3.996 3.289 1.00 0.00 C ATOM 0 H ALA A 98 6.664 4.948 4.711 1.00 0.00 H new ATOM 0 HA ALA A 98 7.758 2.367 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.941 3.416 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.681 3.987 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.211 5.024 3.599 1.00 0.00 H new ATOM 1464 N GLY A 99 9.465 2.528 5.855 1.00 0.00 N ATOM 1465 CA GLY A 99 9.995 2.387 7.198 1.00 0.00 C ATOM 1466 C GLY A 99 11.503 2.275 7.227 1.00 0.00 C ATOM 1467 O GLY A 99 12.158 2.391 6.195 1.00 0.00 O ATOM 0 H GLY A 99 9.945 1.978 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.688 3.245 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.561 1.502 7.663 1.00 0.00 H new ATOM 1471 N GLU A 100 12.056 2.054 8.416 1.00 0.00 N ATOM 1472 CA GLU A 100 13.494 1.930 8.577 1.00 0.00 C ATOM 1473 C GLU A 100 13.838 1.263 9.906 1.00 0.00 C ATOM 1474 O GLU A 100 13.357 1.673 10.962 1.00 0.00 O ATOM 1475 CB GLU A 100 14.149 3.308 8.500 1.00 0.00 C ATOM 1476 CG GLU A 100 15.638 3.275 8.770 1.00 0.00 C ATOM 1477 CD GLU A 100 16.257 4.658 8.816 1.00 0.00 C ATOM 1478 OE1 GLU A 100 16.519 5.228 7.736 1.00 0.00 O ATOM 1479 OE2 GLU A 100 16.481 5.171 9.933 1.00 0.00 O ATOM 0 H GLU A 100 11.525 1.958 9.282 1.00 0.00 H new ATOM 0 HA GLU A 100 13.876 1.304 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.975 3.731 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.670 3.972 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.820 2.769 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.130 2.687 7.995 1.00 0.00 H new ATOM 1486 N GLY A 101 14.676 0.233 9.845 1.00 0.00 N ATOM 1487 CA GLY A 101 15.075 -0.474 11.043 1.00 0.00 C ATOM 1488 C GLY A 101 13.907 -1.122 11.761 1.00 0.00 C ATOM 1489 O GLY A 101 14.027 -1.515 12.922 1.00 0.00 O ATOM 0 H GLY A 101 15.086 -0.124 8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.804 -1.240 10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.572 0.220 11.721 1.00 0.00 H new ATOM 1493 N GLY A 102 12.775 -1.235 11.074 1.00 0.00 N ATOM 1494 CA GLY A 102 11.602 -1.841 11.674 1.00 0.00 C ATOM 1495 C GLY A 102 10.504 -0.834 11.958 1.00 0.00 C ATOM 1496 O GLY A 102 9.362 -1.210 12.218 1.00 0.00 O ATOM 0 H GLY A 102 12.650 -0.918 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.217 -2.614 11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.888 -2.333 12.604 1.00 0.00 H new ATOM 1500 N THR A 103 10.849 0.450 11.911 1.00 0.00 N ATOM 1501 CA THR A 103 9.888 1.508 12.166 1.00 0.00 C ATOM 1502 C THR A 103 9.242 1.970 10.865 1.00 0.00 C ATOM 1503 O THR A 103 9.600 1.504 9.785 1.00 0.00 O ATOM 1504 CB THR A 103 10.595 2.678 12.838 1.00 0.00 C ATOM 1505 OG1 THR A 103 11.515 2.216 13.811 1.00 0.00 O ATOM 1506 CG2 THR A 103 9.659 3.654 13.517 1.00 0.00 C ATOM 0 H THR A 103 11.791 0.779 11.698 1.00 0.00 H new ATOM 0 HA THR A 103 9.105 1.126 12.821 1.00 0.00 H new ATOM 0 HB THR A 103 11.101 3.202 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.960 2.982 14.230 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.238 4.458 13.971 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.973 4.073 12.781 1.00 0.00 H new ATOM 0 HG23 THR A 103 9.090 3.136 14.289 1.00 0.00 H new ATOM 1514 N TRP A 104 8.294 2.891 10.980 1.00 0.00 N ATOM 1515 CA TRP A 104 7.594 3.425 9.818 1.00 0.00 C ATOM 1516 C TRP A 104 7.204 4.881 10.044 1.00 0.00 C ATOM 1517 O TRP A 104 6.215 5.173 10.717 1.00 0.00 O ATOM 1518 CB TRP A 104 6.351 2.588 9.518 1.00 0.00 C ATOM 1519 CG TRP A 104 6.659 1.147 9.256 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.854 0.170 10.189 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.814 0.520 7.978 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.120 -1.027 9.570 1.00 0.00 N ATOM 1523 CE2 TRP A 104 7.101 -0.839 8.213 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.738 0.974 6.657 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.311 -1.746 7.177 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.948 0.072 5.630 1.00 0.00 C ATOM 1527 CH2 TRP A 104 7.231 -1.274 5.895 1.00 0.00 C ATOM 0 H TRP A 104 7.991 3.286 11.870 1.00 0.00 H new ATOM 0 HA TRP A 104 8.267 3.378 8.962 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.662 2.658 10.360 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.839 3.007 8.651 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.806 0.317 11.258 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.302 -1.912 10.044 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.519 2.010 6.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.529 -2.784 7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.893 0.411 4.606 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.389 -1.953 5.071 1.00 0.00 H new ATOM 1538 N ASP A 105 7.991 5.791 9.480 1.00 0.00 N ATOM 1539 CA ASP A 105 7.734 7.219 9.622 1.00 0.00 C ATOM 1540 C ASP A 105 7.526 7.891 8.263 1.00 0.00 C ATOM 1541 O ASP A 105 7.236 9.085 8.193 1.00 0.00 O ATOM 1542 CB ASP A 105 8.889 7.883 10.370 1.00 0.00 C ATOM 1543 CG ASP A 105 8.746 9.392 10.456 1.00 0.00 C ATOM 1544 OD1 ASP A 105 8.011 9.869 11.345 1.00 0.00 O ATOM 1545 OD2 ASP A 105 9.370 10.095 9.633 1.00 0.00 O ATOM 0 H ASP A 105 8.813 5.564 8.920 1.00 0.00 H new ATOM 0 HA ASP A 105 6.815 7.341 10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.948 7.471 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.827 7.640 9.870 1.00 0.00 H new ATOM 1550 N SER A 106 7.672 7.123 7.184 1.00 0.00 N ATOM 1551 CA SER A 106 7.496 7.660 5.840 1.00 0.00 C ATOM 1552 C SER A 106 6.081 7.398 5.331 1.00 0.00 C ATOM 1553 O SER A 106 5.534 6.312 5.519 1.00 0.00 O ATOM 1554 CB SER A 106 8.520 7.043 4.884 1.00 0.00 C ATOM 1555 OG SER A 106 9.468 8.008 4.462 1.00 0.00 O ATOM 0 H SER A 106 7.911 6.132 7.216 1.00 0.00 H new ATOM 0 HA SER A 106 7.653 8.738 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.032 6.217 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.008 6.627 4.016 1.00 0.00 H new ATOM 0 HG SER A 106 10.373 7.662 4.605 1.00 0.00 H new ATOM 1561 N TRP A 107 5.494 8.401 4.685 1.00 0.00 N ATOM 1562 CA TRP A 107 4.143 8.280 4.149 1.00 0.00 C ATOM 1563 C TRP A 107 4.015 9.007 2.817 1.00 0.00 C ATOM 1564 O TRP A 107 4.888 9.786 2.433 1.00 0.00 O ATOM 1565 CB TRP A 107 3.125 8.838 5.144 1.00 0.00 C ATOM 1566 CG TRP A 107 3.273 8.274 6.523 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.888 8.865 7.589 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.797 7.006 6.986 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.823 8.042 8.687 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.158 6.894 8.342 1.00 0.00 C ATOM 1571 CE3 TRP A 107 2.099 5.954 6.386 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.845 5.773 9.107 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.789 4.841 7.146 1.00 0.00 C ATOM 1574 CH2 TRP A 107 2.162 4.759 8.494 1.00 0.00 C ATOM 0 H TRP A 107 5.933 9.307 4.520 1.00 0.00 H new ATOM 0 HA TRP A 107 3.941 7.222 3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.229 9.922 5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.119 8.629 4.780 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.357 9.838 7.572 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.207 8.251 9.609 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.807 6.009 5.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.131 5.707 10.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 1.251 4.022 6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.905 3.877 9.061 1.00 0.00 H new ATOM 1585 N GLY A 108 2.919 8.745 2.117 1.00 0.00 N ATOM 1586 CA GLY A 108 2.685 9.378 0.833 1.00 0.00 C ATOM 1587 C GLY A 108 1.590 10.424 0.891 1.00 0.00 C ATOM 1588 O GLY A 108 1.310 10.980 1.953 1.00 0.00 O ATOM 0 H GLY A 108 2.185 8.103 2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.608 9.843 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.417 8.617 0.100 1.00 0.00 H new ATOM 1592 N GLN A 109 0.968 10.692 -0.252 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.104 11.677 -0.326 1.00 0.00 C ATOM 1594 C GLN A 109 -1.451 11.038 -0.008 1.00 0.00 C ATOM 1595 O GLN A 109 -2.311 11.657 0.620 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.143 12.318 -1.712 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.891 13.641 -1.751 1.00 0.00 C ATOM 1598 CD GLN A 109 -2.375 13.465 -2.003 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -2.781 12.776 -2.939 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -3.195 14.091 -1.166 1.00 0.00 N ATOM 0 H GLN A 109 1.188 10.241 -1.140 1.00 0.00 H new ATOM 0 HA GLN A 109 0.095 12.450 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.878 12.477 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.612 11.625 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.746 14.164 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.466 14.271 -2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.815 14.652 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.205 14.011 -1.286 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.628 9.795 -0.445 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.872 9.091 -0.196 1.00 0.00 C ATOM 1611 C GLY A 110 -3.716 8.941 -1.446 1.00 0.00 C ATOM 1612 O GLY A 110 -3.621 9.751 -2.369 1.00 0.00 O ATOM 0 H GLY A 110 -0.932 9.263 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.652 8.104 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.443 9.627 0.562 1.00 0.00 H new ATOM 1616 N THR A 111 -4.546 7.903 -1.477 1.00 0.00 N ATOM 1617 CA THR A 111 -5.412 7.649 -2.621 1.00 0.00 C ATOM 1618 C THR A 111 -6.728 7.023 -2.171 1.00 0.00 C ATOM 1619 O THR A 111 -6.770 5.860 -1.771 1.00 0.00 O ATOM 1620 CB THR A 111 -4.712 6.732 -3.627 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.630 6.259 -4.597 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.058 5.527 -2.986 1.00 0.00 C ATOM 0 H THR A 111 -4.636 7.224 -0.721 1.00 0.00 H new ATOM 0 HA THR A 111 -5.627 8.602 -3.104 1.00 0.00 H new ATOM 0 HB THR A 111 -3.935 7.345 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.921 5.354 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.581 4.920 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.308 5.859 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.814 4.933 -2.472 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.801 7.804 -2.234 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.116 7.328 -1.827 1.00 0.00 C ATOM 1632 C GLN A 112 -9.636 6.271 -2.794 1.00 0.00 C ATOM 1633 O GLN A 112 -9.448 6.370 -4.006 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.094 8.510 -1.724 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.567 8.156 -1.913 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.268 7.879 -0.600 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.567 7.223 0.313 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.426 8.251 -0.410 1.00 0.00 N flip ATOM 0 H GLN A 112 -7.785 8.769 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.030 6.862 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.972 8.977 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.818 9.255 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.072 8.975 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.647 7.280 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.927 8.753 -1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.884 8.057 0.480 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.296 5.262 -2.240 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.855 4.179 -3.031 1.00 0.00 C ATOM 1649 C VAL A 113 -12.361 4.078 -2.805 1.00 0.00 C ATOM 1650 O VAL A 113 -12.821 3.987 -1.667 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.180 2.842 -2.669 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.038 1.652 -3.081 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.802 2.755 -3.307 1.00 0.00 C ATOM 0 H VAL A 113 -10.457 5.173 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.669 4.393 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.068 2.807 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.530 0.726 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.999 1.702 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.199 1.675 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.338 1.805 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.898 2.822 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.181 3.575 -2.946 1.00 0.00 H new ATOM 1663 N THR A 114 -13.123 4.098 -3.895 1.00 0.00 N ATOM 1664 CA THR A 114 -14.574 4.013 -3.814 1.00 0.00 C ATOM 1665 C THR A 114 -15.061 2.610 -4.164 1.00 0.00 C ATOM 1666 O THR A 114 -14.633 2.023 -5.158 1.00 0.00 O ATOM 1667 CB THR A 114 -15.216 5.037 -4.751 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.787 6.348 -4.430 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.728 5.026 -4.707 1.00 0.00 C ATOM 0 H THR A 114 -12.757 4.172 -4.844 1.00 0.00 H new ATOM 0 HA THR A 114 -14.869 4.232 -2.788 1.00 0.00 H new ATOM 0 HB THR A 114 -14.897 4.750 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.207 6.989 -5.041 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.117 5.776 -5.395 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.093 4.041 -4.999 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.064 5.253 -3.695 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.962 2.082 -3.341 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.514 0.754 -3.558 1.00 0.00 C ATOM 1679 C VAL A 115 -17.936 0.675 -3.019 1.00 0.00 C ATOM 1680 O VAL A 115 -18.360 1.517 -2.228 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.664 -0.346 -2.886 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.730 -1.635 -3.690 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.220 0.107 -2.713 1.00 0.00 C ATOM 0 H VAL A 115 -16.325 2.558 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.510 0.583 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.077 -0.535 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.125 -2.399 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.764 -1.974 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.348 -1.457 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.644 -0.687 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.790 0.333 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.191 1.000 -2.089 1.00 0.00 H new ATOM 1693 N SER A 116 -18.665 -0.341 -3.454 1.00 0.00 N ATOM 1694 CA SER A 116 -20.044 -0.539 -3.020 1.00 0.00 C ATOM 1695 C SER A 116 -20.664 -1.748 -3.712 1.00 0.00 C ATOM 1696 O SER A 116 -20.774 -2.824 -3.126 1.00 0.00 O ATOM 1697 CB SER A 116 -20.879 0.713 -3.304 1.00 0.00 C ATOM 1698 OG SER A 116 -22.261 0.455 -3.128 1.00 0.00 O ATOM 0 H SER A 116 -18.325 -1.045 -4.110 1.00 0.00 H new ATOM 0 HA SER A 116 -20.036 -0.723 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.569 1.519 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.696 1.052 -4.324 1.00 0.00 H new ATOM 0 HG SER A 116 -22.772 1.270 -3.314 1.00 0.00 H new