USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 788 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 57 CYS SG : rot 156:sc= -1.72! USER MOD Set 1.2: A 60 CYS SG : rot -62:sc= -1.69! USER MOD Set 1.3: A 77 HIS : no HE2:sc= 0.109 K(o=-3.9,f=-4.9) USER MOD Set 1.4: A 86 HIS :FLIP no HD1:sc= -0.559 F(o=-4.7,f=-3.9) USER MOD Set 2.1: A 53 SER OG : rot -86:sc= 0.583 USER MOD Set 2.2: A 68 ASN : amide:sc= 1.82 K(o=2.4,f=-9.1!) USER MOD Set 3.1: A 31 CYS SG : rot -176:sc= -5.53! USER MOD Set 3.2: A 34 CYS SG : rot 19:sc= 0.17 USER MOD Set 3.3: A 65 CYS SG : rot 100:sc= 0.591 USER MOD Set 3.4: A 69 SER OG : rot -92:sc= 1.84 USER MOD Set 3.5: A 73 HIS : no HD1:sc= 0.073 K(o=-2.9,f=-3.4) USER MOD Set 4.1: A 16 GLN :FLIP amide:sc= -0.783 F(o=-4.9,f=-3.2) USER MOD Set 4.2: A 113 GLN :FLIP amide:sc= -2.43 F(o=-4.9!,f=-3.2) USER MOD Set 5.1: A 7 CYS SG : rot 36:sc= -1.47! USER MOD Set 5.2: A 9 HIS : no HD1:sc= -0.953 X(o=-5.4,f=-5) USER MOD Set 5.3: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.4: A 87 CYS SG : rot 61:sc= -2.03! USER MOD Set 5.5: A 99 CYS SG : rot 156:sc= -1.21 USER MOD Set 5.6: A 102 CYS SG : rot 54:sc= 0.237 USER MOD Single : A 18 ASN : amide:sc= -1.03 X(o=-1,f=-0.65) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= -0.0124 (180deg=-0.106) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= -0.0175 (180deg=-0.208) USER MOD Single : A 25 ASN : amide:sc= 0.033 X(o=0.033,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.203 F(o=-1.3!,f=-0.2) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0605 F(o=-0.76,f=-0.06) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.88 (180deg=0.867) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 2.11 (180deg=1.86) USER MOD Single : A 62 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3.4!) USER MOD Single : A 63 GLN : amide:sc= -1.11 K(o=-1.1,f=-13!) USER MOD Single : A 70 GLN : amide:sc= 1.14 K(o=1.1,f=-0.012) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.584 F(o=-3.5!,f=-0.58) USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 1.21 (180deg=1.11) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 27:sc= 0.922 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -5:sc= 0.691! USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -5.57! C(o=-5.6!,f=-5.6!) USER MOD Single : A 107 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.1) USER MOD Single : A 108 TYR OH : rot -145:sc= 0.312 USER MOD Single : A 112 ASN : amide:sc= 0.0969 K(o=0.097,f=-4.7!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 120 TYR OH : rot 0:sc= -2.8! USER MOD Single : A 123 LYS NZ :NH3+ -144:sc= 0.148 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.503 K(o=0.5,f=-0.64) USER MOD Single : A 126 SER OG : rot 81:sc= 0.572 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 7 4.794 -17.301 -3.844 1.00 0.00 N ATOM 32 CA CYS A 7 4.051 -17.060 -2.705 1.00 0.00 C ATOM 33 C CYS A 7 2.870 -18.031 -2.620 1.00 0.00 C ATOM 34 O CYS A 7 2.118 -18.208 -3.578 1.00 0.00 O ATOM 35 CB CYS A 7 3.594 -15.616 -2.713 1.00 0.00 C ATOM 36 SG CYS A 7 2.874 -15.059 -1.181 1.00 0.00 S ATOM 0 HA CYS A 7 4.663 -17.226 -1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.446 -14.980 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.864 -15.484 -3.512 1.00 0.00 H new ATOM 0 HG CYS A 7 3.490 -15.620 -0.183 1.00 0.00 H new ATOM 41 N ARG A 8 2.757 -18.678 -1.482 1.00 0.00 N ATOM 42 CA ARG A 8 1.628 -19.545 -1.164 1.00 0.00 C ATOM 43 C ARG A 8 0.801 -18.858 -0.110 1.00 0.00 C ATOM 44 O ARG A 8 -0.094 -19.432 0.494 1.00 0.00 O ATOM 45 CB ARG A 8 2.076 -20.923 -0.628 1.00 0.00 C ATOM 46 CG ARG A 8 2.707 -21.863 -1.655 1.00 0.00 C ATOM 47 CD ARG A 8 4.094 -21.423 -2.089 1.00 0.00 C ATOM 48 NE ARG A 8 5.039 -21.358 -0.963 1.00 0.00 N ATOM 49 CZ ARG A 8 6.302 -21.804 -0.989 1.00 0.00 C ATOM 50 NH1 ARG A 8 6.739 -22.524 -2.021 1.00 0.00 N ATOM 51 NH2 ARG A 8 7.102 -21.571 0.047 1.00 0.00 N ATOM 0 H ARG A 8 3.452 -18.621 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 8 1.060 -19.720 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.792 -20.763 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.210 -21.421 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.766 -22.866 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.060 -21.923 -2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.474 -22.116 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.030 -20.444 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 8 4.706 -20.940 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.111 -22.738 -2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.701 -22.861 -2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.753 -21.056 0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.065 -21.908 0.034 1.00 0.00 H new ATOM 65 N HIS A 9 1.104 -17.596 0.081 1.00 0.00 N ATOM 66 CA HIS A 9 0.444 -16.753 1.088 1.00 0.00 C ATOM 67 C HIS A 9 -0.543 -15.867 0.380 1.00 0.00 C ATOM 68 O HIS A 9 -0.893 -14.810 0.890 1.00 0.00 O ATOM 69 CB HIS A 9 1.455 -15.800 1.784 1.00 0.00 C ATOM 70 CG HIS A 9 2.636 -16.426 2.446 1.00 0.00 C ATOM 71 ND1 HIS A 9 3.911 -16.120 2.043 1.00 0.00 N ATOM 72 CD2 HIS A 9 2.691 -17.271 3.499 1.00 0.00 C ATOM 73 CE1 HIS A 9 4.713 -16.782 2.858 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.011 -17.493 3.758 1.00 0.00 N ATOM 0 H HIS A 9 1.820 -17.107 -0.456 1.00 0.00 H new ATOM 0 HA HIS A 9 -0.018 -17.409 1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.820 -15.093 1.039 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.914 -15.223 2.534 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.851 -17.690 4.033 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.792 -16.756 2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.393 -18.086 4.495 1.00 0.00 H new ATOM 82 N ILE A 10 -1.016 -16.319 -0.767 1.00 0.00 N ATOM 83 CA ILE A 10 -1.847 -15.501 -1.629 1.00 0.00 C ATOM 84 C ILE A 10 -3.122 -15.106 -0.907 1.00 0.00 C ATOM 85 O ILE A 10 -3.418 -13.962 -0.739 1.00 0.00 O ATOM 86 CB ILE A 10 -2.183 -16.249 -2.959 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.897 -16.670 -3.688 1.00 0.00 C ATOM 88 CG2 ILE A 10 -3.031 -15.383 -3.875 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.005 -15.513 -4.067 1.00 0.00 C ATOM 0 H ILE A 10 -0.836 -17.257 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.291 -14.598 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.752 -17.142 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.340 -17.358 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.166 -17.218 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.249 -15.929 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.965 -15.128 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.488 -14.469 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.890 -15.894 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.532 -14.835 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.307 -14.977 -3.167 1.00 0.00 H new ATOM 101 N ARG A 11 -3.808 -16.093 -0.417 1.00 0.00 N ATOM 102 CA ARG A 11 -5.075 -15.907 0.313 1.00 0.00 C ATOM 103 C ARG A 11 -4.853 -15.242 1.667 1.00 0.00 C ATOM 104 O ARG A 11 -5.738 -14.577 2.205 1.00 0.00 O ATOM 105 CB ARG A 11 -5.718 -17.247 0.552 1.00 0.00 C ATOM 106 CG ARG A 11 -6.069 -17.999 -0.715 1.00 0.00 C ATOM 107 CD ARG A 11 -6.618 -19.382 -0.415 1.00 0.00 C ATOM 108 NE ARG A 11 -6.853 -20.137 -1.646 1.00 0.00 N ATOM 109 CZ ARG A 11 -6.902 -21.470 -1.740 1.00 0.00 C ATOM 110 NH1 ARG A 11 -6.850 -22.222 -0.646 1.00 0.00 N ATOM 111 NH2 ARG A 11 -7.038 -22.044 -2.929 1.00 0.00 N ATOM 0 H ARG A 11 -3.522 -17.068 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.713 -15.267 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.044 -17.860 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.625 -17.103 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.806 -17.431 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.182 -18.088 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.917 -19.925 0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.550 -19.293 0.143 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.991 -19.602 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.772 -21.783 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.888 -23.238 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.105 -21.469 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.076 -23.061 -3.003 1.00 0.00 H new ATOM 125 N LYS A 12 -3.675 -15.421 2.200 1.00 0.00 N ATOM 126 CA LYS A 12 -3.344 -14.912 3.516 1.00 0.00 C ATOM 127 C LYS A 12 -3.113 -13.411 3.466 1.00 0.00 C ATOM 128 O LYS A 12 -3.515 -12.664 4.374 1.00 0.00 O ATOM 129 CB LYS A 12 -2.080 -15.605 4.048 1.00 0.00 C ATOM 130 CG LYS A 12 -2.173 -17.123 4.124 1.00 0.00 C ATOM 131 CD LYS A 12 -0.878 -17.723 4.652 1.00 0.00 C ATOM 132 CE LYS A 12 -0.923 -19.245 4.669 1.00 0.00 C ATOM 133 NZ LYS A 12 0.319 -19.836 5.228 1.00 0.00 N ATOM 0 H LYS A 12 -2.914 -15.922 1.741 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.181 -15.120 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.239 -15.337 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.861 -15.217 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.001 -17.408 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.389 -17.528 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.045 -17.391 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.692 -17.354 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.778 -19.575 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.074 -19.614 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.244 -20.873 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.133 -19.543 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.451 -19.506 6.205 1.00 0.00 H new ATOM 147 N GLY A 13 -2.525 -12.978 2.385 1.00 0.00 N ATOM 148 CA GLY A 13 -2.120 -11.602 2.245 1.00 0.00 C ATOM 149 C GLY A 13 -2.931 -10.856 1.268 1.00 0.00 C ATOM 150 O GLY A 13 -2.713 -9.688 1.073 1.00 0.00 O ATOM 0 H GLY A 13 -2.313 -13.564 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.187 -11.110 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.074 -11.567 1.942 1.00 0.00 H new ATOM 154 N LEU A 14 -3.835 -11.515 0.652 1.00 0.00 N ATOM 155 CA LEU A 14 -4.709 -10.903 -0.270 1.00 0.00 C ATOM 156 C LEU A 14 -6.086 -11.335 0.131 1.00 0.00 C ATOM 157 O LEU A 14 -6.398 -12.530 0.113 1.00 0.00 O ATOM 158 CB LEU A 14 -4.329 -11.360 -1.669 1.00 0.00 C ATOM 159 CG LEU A 14 -4.911 -10.640 -2.858 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.213 -11.117 -4.084 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.389 -10.870 -3.008 1.00 0.00 C ATOM 0 H LEU A 14 -3.992 -12.515 0.777 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.656 -9.814 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.243 -11.304 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.601 -12.412 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.767 -9.570 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.621 -10.607 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.147 -10.902 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.359 -12.192 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.755 -10.328 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.580 -11.935 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.905 -10.514 -2.116 1.00 0.00 H new ATOM 173 N GLU A 15 -6.896 -10.393 0.501 1.00 0.00 N ATOM 174 CA GLU A 15 -8.161 -10.706 1.072 1.00 0.00 C ATOM 175 C GLU A 15 -9.256 -10.098 0.190 1.00 0.00 C ATOM 176 O GLU A 15 -9.718 -8.994 0.433 1.00 0.00 O ATOM 177 CB GLU A 15 -8.116 -10.137 2.469 1.00 0.00 C ATOM 178 CG GLU A 15 -9.153 -10.557 3.414 1.00 0.00 C ATOM 179 CD GLU A 15 -9.255 -12.028 3.545 1.00 0.00 C ATOM 180 OE1 GLU A 15 -9.993 -12.655 2.781 1.00 0.00 O ATOM 181 OE2 GLU A 15 -8.588 -12.589 4.436 1.00 0.00 O ATOM 0 H GLU A 15 -6.699 -9.396 0.416 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.380 -11.772 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.148 -10.389 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.157 -9.051 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.942 -10.124 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.115 -10.159 3.090 1.00 0.00 H new ATOM 188 N GLN A 16 -9.673 -10.864 -0.808 1.00 0.00 N ATOM 189 CA GLN A 16 -10.518 -10.388 -1.926 1.00 0.00 C ATOM 190 C GLN A 16 -11.754 -9.603 -1.490 1.00 0.00 C ATOM 191 O GLN A 16 -11.959 -8.481 -1.937 1.00 0.00 O ATOM 192 CB GLN A 16 -11.002 -11.538 -2.785 1.00 0.00 C ATOM 193 CG GLN A 16 -9.960 -12.555 -3.211 1.00 0.00 C ATOM 194 CD GLN A 16 -10.586 -13.679 -4.024 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.074 -14.864 -3.889 1.00 0.00 O flip ATOM 196 NE2 GLN A 16 -11.562 -13.474 -4.741 1.00 0.00 N flip ATOM 0 H GLN A 16 -9.436 -11.854 -0.877 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.861 -9.720 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.787 -12.063 -2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.460 -11.123 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.188 -12.062 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.471 -12.969 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.942 -12.532 -4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.992 -14.246 -5.250 1.00 0.00 H new ATOM 205 N GLY A 17 -12.530 -10.176 -0.586 1.00 0.00 N ATOM 206 CA GLY A 17 -13.815 -9.586 -0.206 1.00 0.00 C ATOM 207 C GLY A 17 -13.650 -8.261 0.495 1.00 0.00 C ATOM 208 O GLY A 17 -14.457 -7.341 0.338 1.00 0.00 O ATOM 0 H GLY A 17 -12.301 -11.043 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.428 -9.450 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.351 -10.276 0.446 1.00 0.00 H new ATOM 212 N ASN A 18 -12.580 -8.163 1.221 1.00 0.00 N ATOM 213 CA ASN A 18 -12.235 -6.985 1.999 1.00 0.00 C ATOM 214 C ASN A 18 -11.733 -5.873 1.076 1.00 0.00 C ATOM 215 O ASN A 18 -11.984 -4.688 1.310 1.00 0.00 O ATOM 216 CB ASN A 18 -11.150 -7.394 3.000 1.00 0.00 C ATOM 217 CG ASN A 18 -10.670 -6.307 3.932 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.410 -5.385 4.310 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.423 -6.405 4.308 1.00 0.00 N ATOM 0 H ASN A 18 -11.895 -8.914 1.300 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.107 -6.602 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.530 -8.220 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.293 -7.773 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.023 -5.707 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.849 -7.179 3.974 1.00 0.00 H new ATOM 226 N LEU A 19 -11.078 -6.276 0.004 1.00 0.00 N ATOM 227 CA LEU A 19 -10.486 -5.361 -0.985 1.00 0.00 C ATOM 228 C LEU A 19 -11.496 -4.440 -1.592 1.00 0.00 C ATOM 229 O LEU A 19 -11.265 -3.240 -1.670 1.00 0.00 O ATOM 230 CB LEU A 19 -9.779 -6.134 -2.092 1.00 0.00 C ATOM 231 CG LEU A 19 -8.381 -6.690 -1.801 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.358 -5.874 -2.513 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.046 -6.680 -0.335 1.00 0.00 C ATOM 0 H LEU A 19 -10.934 -7.261 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.761 -4.755 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.418 -6.970 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.704 -5.480 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.378 -7.724 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.365 -6.272 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.545 -5.911 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.414 -4.841 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.045 -7.085 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.083 -5.657 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.767 -7.291 0.207 1.00 0.00 H new ATOM 245 N LYS A 20 -12.632 -4.980 -1.983 1.00 0.00 N ATOM 246 CA LYS A 20 -13.686 -4.183 -2.622 1.00 0.00 C ATOM 247 C LYS A 20 -14.121 -3.026 -1.712 1.00 0.00 C ATOM 248 O LYS A 20 -14.284 -1.878 -2.166 1.00 0.00 O ATOM 249 CB LYS A 20 -14.921 -5.036 -3.011 1.00 0.00 C ATOM 250 CG LYS A 20 -14.735 -5.996 -4.196 1.00 0.00 C ATOM 251 CD LYS A 20 -13.732 -7.097 -3.920 1.00 0.00 C ATOM 252 CE LYS A 20 -13.517 -8.004 -5.122 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.755 -8.683 -5.558 1.00 0.00 N ATOM 0 H LYS A 20 -12.859 -5.968 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.258 -3.782 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.222 -5.620 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.745 -4.361 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.697 -6.444 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.411 -5.428 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.780 -6.652 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.076 -7.694 -3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.121 -7.415 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.765 -8.753 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.526 -9.387 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.195 -9.159 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.417 -7.982 -5.948 1.00 0.00 H new ATOM 267 N LYS A 21 -14.146 -3.297 -0.426 1.00 0.00 N ATOM 268 CA LYS A 21 -14.668 -2.360 0.546 1.00 0.00 C ATOM 269 C LYS A 21 -13.632 -1.276 0.786 1.00 0.00 C ATOM 270 O LYS A 21 -13.961 -0.110 1.024 1.00 0.00 O ATOM 271 CB LYS A 21 -14.945 -3.092 1.852 1.00 0.00 C ATOM 272 CG LYS A 21 -15.547 -4.477 1.665 1.00 0.00 C ATOM 273 CD LYS A 21 -16.907 -4.433 1.009 1.00 0.00 C ATOM 274 CE LYS A 21 -17.432 -5.832 0.724 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.522 -6.654 1.946 1.00 0.00 N ATOM 0 H LYS A 21 -13.806 -4.171 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.592 -1.915 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.014 -3.183 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.623 -2.491 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.874 -5.083 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.631 -4.967 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.608 -3.905 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.845 -3.869 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.417 -5.761 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.777 -6.324 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.053 -7.524 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.565 -6.901 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.012 -6.117 2.690 1.00 0.00 H new ATOM 289 N ALA A 22 -12.378 -1.648 0.657 1.00 0.00 N ATOM 290 CA ALA A 22 -11.311 -0.745 0.945 1.00 0.00 C ATOM 291 C ALA A 22 -11.073 0.192 -0.201 1.00 0.00 C ATOM 292 O ALA A 22 -10.805 1.372 0.002 1.00 0.00 O ATOM 293 CB ALA A 22 -10.069 -1.512 1.235 1.00 0.00 C ATOM 0 H ALA A 22 -12.082 -2.575 0.353 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.589 -0.153 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.256 -0.819 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.235 -2.161 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.805 -2.118 0.368 1.00 0.00 H new ATOM 299 N LEU A 23 -11.226 -0.317 -1.413 1.00 0.00 N ATOM 300 CA LEU A 23 -10.944 0.481 -2.603 1.00 0.00 C ATOM 301 C LEU A 23 -12.084 1.447 -2.874 1.00 0.00 C ATOM 302 O LEU A 23 -12.018 2.282 -3.760 1.00 0.00 O ATOM 303 CB LEU A 23 -10.635 -0.376 -3.821 1.00 0.00 C ATOM 304 CG LEU A 23 -9.719 -1.590 -3.579 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.321 -2.254 -4.857 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.508 -1.314 -2.670 1.00 0.00 C ATOM 0 H LEU A 23 -11.540 -1.269 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.041 1.058 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.577 -0.734 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.173 0.257 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.333 -2.291 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.675 -3.105 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.212 -2.599 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.784 -1.543 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.922 -2.226 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.888 -0.537 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.856 -0.983 -1.691 1.00 0.00 H new ATOM 318 N VAL A 24 -13.142 1.300 -2.123 1.00 0.00 N ATOM 319 CA VAL A 24 -14.172 2.316 -2.081 1.00 0.00 C ATOM 320 C VAL A 24 -13.579 3.607 -1.479 1.00 0.00 C ATOM 321 O VAL A 24 -13.819 4.721 -1.953 1.00 0.00 O ATOM 322 CB VAL A 24 -15.342 1.868 -1.175 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.299 3.012 -0.934 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.067 0.694 -1.781 1.00 0.00 C ATOM 0 H VAL A 24 -13.318 0.489 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.535 2.482 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 24 -14.928 1.558 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.115 2.675 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.771 3.832 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.703 3.355 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.886 0.395 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.465 0.976 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.375 -0.140 -1.899 1.00 0.00 H new ATOM 334 N ASN A 25 -12.749 3.416 -0.483 1.00 0.00 N ATOM 335 CA ASN A 25 -12.236 4.500 0.330 1.00 0.00 C ATOM 336 C ASN A 25 -10.805 4.852 -0.022 1.00 0.00 C ATOM 337 O ASN A 25 -10.115 5.509 0.758 1.00 0.00 O ATOM 338 CB ASN A 25 -12.304 4.109 1.814 1.00 0.00 C ATOM 339 CG ASN A 25 -13.712 3.977 2.350 1.00 0.00 C ATOM 340 OD1 ASN A 25 -14.301 4.955 2.801 1.00 0.00 O ATOM 341 ND2 ASN A 25 -14.255 2.774 2.342 1.00 0.00 N ATOM 0 H ASN A 25 -12.405 2.496 -0.208 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.856 5.375 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.782 3.162 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.771 4.857 2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.193 2.635 2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.737 1.983 1.959 1.00 0.00 H new ATOM 348 N VAL A 26 -10.348 4.457 -1.182 1.00 0.00 N ATOM 349 CA VAL A 26 -8.959 4.738 -1.534 1.00 0.00 C ATOM 350 C VAL A 26 -8.758 6.032 -2.264 1.00 0.00 C ATOM 351 O VAL A 26 -9.590 6.467 -3.066 1.00 0.00 O ATOM 352 CB VAL A 26 -8.303 3.646 -2.376 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.048 2.422 -1.576 1.00 0.00 C ATOM 354 CG2 VAL A 26 -9.139 3.336 -3.580 1.00 0.00 C ATOM 0 H VAL A 26 -10.888 3.955 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.483 4.793 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.337 4.021 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.581 1.666 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.385 2.662 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.991 2.038 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.655 2.556 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.123 2.993 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.248 4.234 -4.189 1.00 0.00 H new ATOM 364 N GLU A 27 -7.667 6.659 -1.953 1.00 0.00 N ATOM 365 CA GLU A 27 -7.185 7.728 -2.713 1.00 0.00 C ATOM 366 C GLU A 27 -6.068 7.155 -3.513 1.00 0.00 C ATOM 367 O GLU A 27 -4.989 6.964 -3.012 1.00 0.00 O ATOM 368 CB GLU A 27 -6.611 8.785 -1.858 1.00 0.00 C ATOM 369 CG GLU A 27 -6.416 10.046 -2.595 1.00 0.00 C ATOM 370 CD GLU A 27 -7.702 10.768 -2.793 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.422 10.490 -3.774 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.036 11.603 -1.942 1.00 0.00 O ATOM 0 H GLU A 27 -7.089 6.425 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.988 8.166 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.269 8.960 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.655 8.448 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.720 10.683 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.963 9.836 -3.564 1.00 0.00 H new ATOM 379 N TRP A 28 -6.357 6.795 -4.677 1.00 0.00 N ATOM 380 CA TRP A 28 -5.405 6.139 -5.546 1.00 0.00 C ATOM 381 C TRP A 28 -4.127 6.881 -5.782 1.00 0.00 C ATOM 382 O TRP A 28 -4.110 8.064 -6.122 1.00 0.00 O ATOM 383 CB TRP A 28 -6.028 5.692 -6.815 1.00 0.00 C ATOM 384 CG TRP A 28 -6.758 4.417 -6.659 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.050 4.181 -6.918 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.214 3.195 -6.178 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.354 2.879 -6.657 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.240 2.255 -6.199 1.00 0.00 C ATOM 389 CE3 TRP A 28 -4.951 2.804 -5.738 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.055 0.963 -5.807 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.773 1.511 -5.339 1.00 0.00 C ATOM 392 CH2 TRP A 28 -5.819 0.607 -5.380 1.00 0.00 C ATOM 0 H TRP A 28 -7.275 6.935 -5.098 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.099 5.257 -4.984 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.714 6.460 -7.171 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.256 5.576 -7.576 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.751 4.918 -7.282 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.268 2.445 -6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.132 3.508 -5.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.864 0.248 -5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.804 1.190 -4.987 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.646 -0.411 -5.063 1.00 0.00 H new ATOM 403 N ASN A 29 -3.063 6.142 -5.540 1.00 0.00 N ATOM 404 CA ASN A 29 -1.684 6.552 -5.664 1.00 0.00 C ATOM 405 C ASN A 29 -1.345 7.583 -4.615 1.00 0.00 C ATOM 406 O ASN A 29 -0.411 8.389 -4.735 1.00 0.00 O ATOM 407 CB ASN A 29 -1.371 6.955 -7.074 1.00 0.00 C ATOM 408 CG ASN A 29 0.089 6.928 -7.359 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.552 5.805 -7.739 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.796 7.928 -7.242 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.148 5.174 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.025 5.708 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.886 6.286 -7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.756 7.958 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.386 8.810 -6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.793 7.875 -7.453 1.00 0.00 H new ATOM 417 N ILE A 30 -2.090 7.506 -3.548 1.00 0.00 N ATOM 418 CA ILE A 30 -1.856 8.317 -2.399 1.00 0.00 C ATOM 419 C ILE A 30 -1.987 7.445 -1.201 1.00 0.00 C ATOM 420 O ILE A 30 -3.064 6.906 -0.936 1.00 0.00 O ATOM 421 CB ILE A 30 -2.830 9.533 -2.243 1.00 0.00 C ATOM 422 CG1 ILE A 30 -2.785 10.429 -3.489 1.00 0.00 C ATOM 423 CG2 ILE A 30 -2.505 10.331 -0.966 1.00 0.00 C ATOM 424 CD1 ILE A 30 -3.473 11.770 -3.342 1.00 0.00 C ATOM 0 H ILE A 30 -2.883 6.871 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.861 8.748 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.846 9.150 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.742 10.601 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.243 9.892 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.193 11.171 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.609 9.683 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.482 10.704 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.386 12.328 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.526 11.615 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.002 12.334 -2.537 1.00 0.00 H new ATOM 436 N CYS A 31 -0.888 7.225 -0.536 1.00 0.00 N ATOM 437 CA CYS A 31 -0.881 6.528 0.716 1.00 0.00 C ATOM 438 C CYS A 31 -1.897 7.155 1.652 1.00 0.00 C ATOM 439 O CYS A 31 -1.721 8.269 2.135 1.00 0.00 O ATOM 440 CB CYS A 31 0.542 6.498 1.317 1.00 0.00 C ATOM 441 SG CYS A 31 0.696 6.094 3.057 1.00 0.00 S ATOM 0 H CYS A 31 0.034 7.527 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.172 5.489 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.131 5.777 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.996 7.476 1.157 1.00 0.00 H new ATOM 0 HG CYS A 31 1.942 6.191 3.416 1.00 0.00 H new ATOM 446 N GLN A 32 -2.984 6.439 1.860 1.00 0.00 N ATOM 447 CA GLN A 32 -4.070 6.881 2.702 1.00 0.00 C ATOM 448 C GLN A 32 -3.575 7.121 4.111 1.00 0.00 C ATOM 449 O GLN A 32 -4.080 7.974 4.825 1.00 0.00 O ATOM 450 CB GLN A 32 -5.210 5.868 2.702 1.00 0.00 C ATOM 451 CG GLN A 32 -4.831 4.502 3.185 1.00 0.00 C ATOM 452 CD GLN A 32 -6.000 3.594 3.138 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.236 3.036 1.991 1.00 0.00 O flip ATOM 454 NE2 GLN A 32 -6.733 3.449 4.106 1.00 0.00 N flip ATOM 0 H GLN A 32 -3.137 5.521 1.442 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.454 7.819 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.017 6.249 3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.604 5.784 1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.027 4.102 2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.451 4.563 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.508 3.907 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.569 2.870 4.030 1.00 0.00 H new ATOM 463 N ASP A 33 -2.532 6.418 4.463 1.00 0.00 N ATOM 464 CA ASP A 33 -1.938 6.507 5.770 1.00 0.00 C ATOM 465 C ASP A 33 -1.117 7.805 5.892 1.00 0.00 C ATOM 466 O ASP A 33 -0.711 8.174 6.953 1.00 0.00 O ATOM 467 CB ASP A 33 -1.103 5.262 6.045 1.00 0.00 C ATOM 468 CG ASP A 33 -0.794 5.049 7.512 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.729 5.026 8.334 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.366 4.819 7.854 1.00 0.00 O ATOM 0 H ASP A 33 -2.065 5.758 3.841 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.719 6.549 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.632 4.389 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.166 5.334 5.492 1.00 0.00 H new ATOM 475 N CYS A 34 -0.838 8.474 4.750 1.00 0.00 N ATOM 476 CA CYS A 34 -0.236 9.758 4.747 1.00 0.00 C ATOM 477 C CYS A 34 -1.291 10.828 4.984 1.00 0.00 C ATOM 478 O CYS A 34 -1.104 11.742 5.757 1.00 0.00 O ATOM 479 CB CYS A 34 0.427 10.018 3.406 1.00 0.00 C ATOM 480 SG CYS A 34 2.147 9.505 3.181 1.00 0.00 S ATOM 0 H CYS A 34 -1.038 8.107 3.819 1.00 0.00 H new ATOM 0 HA CYS A 34 0.510 9.792 5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.170 9.523 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.372 11.089 3.211 1.00 0.00 H new ATOM 0 HG CYS A 34 2.460 8.627 4.087 1.00 0.00 H new ATOM 485 N LYS A 35 -2.409 10.665 4.342 1.00 0.00 N ATOM 486 CA LYS A 35 -3.460 11.672 4.373 1.00 0.00 C ATOM 487 C LYS A 35 -4.296 11.584 5.625 1.00 0.00 C ATOM 488 O LYS A 35 -4.593 12.586 6.250 1.00 0.00 O ATOM 489 CB LYS A 35 -4.342 11.600 3.130 1.00 0.00 C ATOM 490 CG LYS A 35 -4.889 10.232 2.845 1.00 0.00 C ATOM 491 CD LYS A 35 -5.798 10.187 1.636 1.00 0.00 C ATOM 492 CE LYS A 35 -7.076 11.006 1.829 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.044 10.858 0.704 1.00 0.00 N ATOM 0 H LYS A 35 -2.630 9.841 3.782 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.961 12.641 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.174 12.295 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.765 11.936 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.059 9.542 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.440 9.880 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.258 10.562 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.063 9.151 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.559 10.701 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.813 12.058 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.895 11.423 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.605 11.191 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.309 9.857 0.603 1.00 0.00 H new ATOM 762 N PRO A 52 7.891 8.801 -4.163 1.00 0.00 N ATOM 763 CA PRO A 52 7.787 7.748 -3.204 1.00 0.00 C ATOM 764 C PRO A 52 6.820 6.708 -3.740 1.00 0.00 C ATOM 765 O PRO A 52 5.762 7.060 -4.319 1.00 0.00 O ATOM 766 CB PRO A 52 7.246 8.452 -1.961 1.00 0.00 C ATOM 767 CG PRO A 52 6.470 9.593 -2.484 1.00 0.00 C ATOM 768 CD PRO A 52 7.196 10.026 -3.723 1.00 0.00 C ATOM 0 HA PRO A 52 8.720 7.227 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.619 7.785 -1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.055 8.788 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.444 9.301 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.418 10.402 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.507 10.392 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.899 10.833 -3.515 1.00 0.00 H new ATOM 776 N SER A 53 7.181 5.465 -3.608 1.00 0.00 N ATOM 777 CA SER A 53 6.386 4.422 -4.125 1.00 0.00 C ATOM 778 C SER A 53 5.129 4.265 -3.289 1.00 0.00 C ATOM 779 O SER A 53 5.117 4.610 -2.099 1.00 0.00 O ATOM 780 CB SER A 53 7.212 3.143 -4.188 1.00 0.00 C ATOM 781 OG SER A 53 7.836 2.854 -2.934 1.00 0.00 O ATOM 0 H SER A 53 8.034 5.160 -3.139 1.00 0.00 H new ATOM 0 HA SER A 53 6.064 4.657 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.571 2.310 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.975 3.240 -4.960 1.00 0.00 H new ATOM 0 HG SER A 53 8.695 3.323 -2.880 1.00 0.00 H new ATOM 787 N VAL A 54 4.085 3.816 -3.901 1.00 0.00 N ATOM 788 CA VAL A 54 2.840 3.634 -3.204 1.00 0.00 C ATOM 789 C VAL A 54 2.427 2.196 -3.327 1.00 0.00 C ATOM 790 O VAL A 54 2.143 1.694 -4.415 1.00 0.00 O ATOM 791 CB VAL A 54 1.728 4.602 -3.695 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.483 4.414 -2.873 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.183 6.053 -3.592 1.00 0.00 C ATOM 0 H VAL A 54 4.062 3.565 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 54 2.989 3.882 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 54 1.519 4.373 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.291 5.096 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.133 3.386 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.703 4.623 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.387 6.710 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.417 6.288 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.071 6.200 -4.207 1.00 0.00 H new ATOM 803 N TRP A 55 2.465 1.538 -2.225 1.00 0.00 N ATOM 804 CA TRP A 55 2.178 0.153 -2.140 1.00 0.00 C ATOM 805 C TRP A 55 0.843 -0.051 -1.452 1.00 0.00 C ATOM 806 O TRP A 55 0.603 0.443 -0.343 1.00 0.00 O ATOM 807 CB TRP A 55 3.304 -0.593 -1.408 1.00 0.00 C ATOM 808 CG TRP A 55 4.655 -0.506 -2.083 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.525 0.528 -2.014 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.296 -1.507 -2.904 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.654 0.252 -2.734 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.543 -0.988 -3.290 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.937 -2.780 -3.351 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.433 -1.696 -4.096 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.818 -3.483 -4.150 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.054 -2.941 -4.513 1.00 0.00 C ATOM 0 H TRP A 55 2.704 1.963 -1.329 1.00 0.00 H new ATOM 0 HA TRP A 55 2.115 -0.260 -3.147 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.390 -0.194 -0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.026 -1.643 -1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.352 1.443 -1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.454 0.876 -2.839 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.985 -3.209 -3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.387 -1.276 -4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.547 -4.468 -4.500 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.723 -3.517 -5.135 1.00 0.00 H new ATOM 827 N LEU A 56 -0.020 -0.733 -2.121 1.00 0.00 N ATOM 828 CA LEU A 56 -1.324 -1.010 -1.609 1.00 0.00 C ATOM 829 C LEU A 56 -1.385 -2.417 -1.041 1.00 0.00 C ATOM 830 O LEU A 56 -1.096 -3.384 -1.743 1.00 0.00 O ATOM 831 CB LEU A 56 -2.387 -0.845 -2.679 1.00 0.00 C ATOM 832 CG LEU A 56 -3.798 -1.147 -2.203 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.596 0.116 -1.962 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.487 -2.092 -3.138 1.00 0.00 C ATOM 0 H LEU A 56 0.157 -1.120 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.523 -0.291 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.353 0.177 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.149 -1.501 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.725 -1.646 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.598 -0.146 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.101 0.719 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.664 0.686 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.495 -2.292 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.541 -1.647 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.927 -3.026 -3.189 1.00 0.00 H new ATOM 846 N CYS A 57 -1.763 -2.510 0.219 1.00 0.00 N ATOM 847 CA CYS A 57 -1.921 -3.759 0.937 1.00 0.00 C ATOM 848 C CYS A 57 -3.016 -4.576 0.268 1.00 0.00 C ATOM 849 O CYS A 57 -4.184 -4.225 0.355 1.00 0.00 O ATOM 850 CB CYS A 57 -2.321 -3.431 2.403 1.00 0.00 C ATOM 851 SG CYS A 57 -2.295 -4.814 3.610 1.00 0.00 S ATOM 0 H CYS A 57 -1.975 -1.691 0.789 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.993 -4.331 0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.653 -2.651 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.327 -3.011 2.393 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.138 -4.340 4.810 1.00 0.00 H new ATOM 856 N LEU A 58 -2.638 -5.683 -0.358 1.00 0.00 N ATOM 857 CA LEU A 58 -3.557 -6.568 -1.074 1.00 0.00 C ATOM 858 C LEU A 58 -4.427 -7.310 -0.110 1.00 0.00 C ATOM 859 O LEU A 58 -5.343 -8.028 -0.473 1.00 0.00 O ATOM 860 CB LEU A 58 -2.718 -7.512 -1.889 1.00 0.00 C ATOM 861 CG LEU A 58 -2.162 -6.909 -3.155 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.883 -7.583 -3.545 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.169 -7.092 -4.256 1.00 0.00 C ATOM 0 H LEU A 58 -1.669 -5.999 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.221 -5.998 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.890 -7.867 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.319 -8.383 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.961 -5.851 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.499 -7.133 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.150 -7.463 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.067 -8.644 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.781 -6.661 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.358 -8.155 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.099 -6.593 -3.985 1.00 0.00 H new ATOM 875 N LYS A 59 -4.100 -7.140 1.105 1.00 0.00 N ATOM 876 CA LYS A 59 -4.811 -7.695 2.182 1.00 0.00 C ATOM 877 C LYS A 59 -5.972 -6.795 2.654 1.00 0.00 C ATOM 878 O LYS A 59 -7.054 -7.285 2.935 1.00 0.00 O ATOM 879 CB LYS A 59 -3.846 -7.972 3.324 1.00 0.00 C ATOM 880 CG LYS A 59 -4.509 -8.462 4.556 1.00 0.00 C ATOM 881 CD LYS A 59 -5.189 -9.802 4.346 1.00 0.00 C ATOM 882 CE LYS A 59 -5.728 -10.333 5.646 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.204 -11.744 5.583 1.00 0.00 N ATOM 0 H LYS A 59 -3.293 -6.585 1.391 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.265 -8.626 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.113 -8.710 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.298 -7.059 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.771 -8.552 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.246 -7.730 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.001 -9.695 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.480 -10.513 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.950 -10.258 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.552 -9.698 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.367 -12.099 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.092 -11.787 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.485 -12.332 5.115 1.00 0.00 H new ATOM 897 N CYS A 60 -5.752 -5.502 2.771 1.00 0.00 N ATOM 898 CA CYS A 60 -6.828 -4.659 3.311 1.00 0.00 C ATOM 899 C CYS A 60 -7.070 -3.372 2.551 1.00 0.00 C ATOM 900 O CYS A 60 -7.866 -2.542 2.991 1.00 0.00 O ATOM 901 CB CYS A 60 -6.568 -4.350 4.767 1.00 0.00 C ATOM 902 SG CYS A 60 -5.254 -3.139 5.032 1.00 0.00 S ATOM 0 H CYS A 60 -4.890 -5.020 2.518 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.738 -5.247 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.488 -3.979 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.308 -5.274 5.284 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.133 -3.608 4.571 1.00 0.00 H new ATOM 907 N GLY A 61 -6.393 -3.196 1.461 1.00 0.00 N ATOM 908 CA GLY A 61 -6.565 -1.998 0.659 1.00 0.00 C ATOM 909 C GLY A 61 -5.920 -0.778 1.290 1.00 0.00 C ATOM 910 O GLY A 61 -6.223 0.355 0.922 1.00 0.00 O ATOM 0 H GLY A 61 -5.711 -3.860 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.135 -2.162 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.629 -1.810 0.517 1.00 0.00 H new ATOM 914 N HIS A 62 -5.051 -1.013 2.248 1.00 0.00 N ATOM 915 CA HIS A 62 -4.306 0.047 2.899 1.00 0.00 C ATOM 916 C HIS A 62 -3.244 0.530 1.964 1.00 0.00 C ATOM 917 O HIS A 62 -2.351 -0.216 1.592 1.00 0.00 O ATOM 918 CB HIS A 62 -3.656 -0.450 4.185 1.00 0.00 C ATOM 919 CG HIS A 62 -2.791 0.557 4.884 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.428 0.658 4.694 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.109 1.484 5.803 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.977 1.619 5.494 1.00 0.00 C ATOM 923 NE2 HIS A 62 -1.961 2.150 6.191 1.00 0.00 N ATOM 0 H HIS A 62 -4.839 -1.947 2.600 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.992 0.855 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.440 -0.772 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.053 -1.328 3.955 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.867 0.096 4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.103 1.678 6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.057 1.924 5.563 1.00 0.00 H new ATOM 931 N GLN A 63 -3.329 1.748 1.609 1.00 0.00 N ATOM 932 CA GLN A 63 -2.399 2.293 0.700 1.00 0.00 C ATOM 933 C GLN A 63 -1.329 3.011 1.485 1.00 0.00 C ATOM 934 O GLN A 63 -1.628 3.907 2.281 1.00 0.00 O ATOM 935 CB GLN A 63 -3.098 3.219 -0.227 1.00 0.00 C ATOM 936 CG GLN A 63 -2.539 3.193 -1.610 1.00 0.00 C ATOM 937 CD GLN A 63 -3.221 4.159 -2.525 1.00 0.00 C ATOM 938 OE1 GLN A 63 -2.642 4.638 -3.425 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.449 4.458 -2.289 1.00 0.00 N ATOM 0 H GLN A 63 -4.043 2.398 1.937 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.935 1.507 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.156 2.957 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.034 4.234 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.475 3.424 -1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.632 2.186 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.936 4.031 -1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.937 5.123 -2.890 1.00 0.00 H new ATOM 948 N GLY A 64 -0.135 2.585 1.300 1.00 0.00 N ATOM 949 CA GLY A 64 0.956 3.087 2.006 1.00 0.00 C ATOM 950 C GLY A 64 2.063 3.450 1.108 1.00 0.00 C ATOM 951 O GLY A 64 2.094 3.060 -0.035 1.00 0.00 O ATOM 0 H GLY A 64 0.105 1.855 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.648 3.963 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.299 2.342 2.724 1.00 0.00 H new ATOM 955 N CYS A 65 2.943 4.211 1.615 1.00 0.00 N ATOM 956 CA CYS A 65 4.044 4.656 0.872 1.00 0.00 C ATOM 957 C CYS A 65 5.216 3.730 1.161 1.00 0.00 C ATOM 958 O CYS A 65 5.357 3.231 2.305 1.00 0.00 O ATOM 959 CB CYS A 65 4.316 6.112 1.215 1.00 0.00 C ATOM 960 SG CYS A 65 4.434 6.402 2.975 1.00 0.00 S ATOM 0 H CYS A 65 2.919 4.549 2.577 1.00 0.00 H new ATOM 0 HA CYS A 65 3.859 4.620 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.244 6.425 0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.520 6.732 0.802 1.00 0.00 H new ATOM 0 HG CYS A 65 5.685 6.474 3.320 1.00 0.00 H new ATOM 965 N GLY A 66 5.983 3.467 0.140 1.00 0.00 N ATOM 966 CA GLY A 66 7.063 2.526 0.192 1.00 0.00 C ATOM 967 C GLY A 66 8.237 2.953 1.023 1.00 0.00 C ATOM 968 O GLY A 66 8.231 4.012 1.657 1.00 0.00 O ATOM 0 H GLY A 66 5.871 3.912 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.684 1.582 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.407 2.334 -0.824 1.00 0.00 H new ATOM 972 N ARG A 67 9.266 2.150 0.961 1.00 0.00 N ATOM 973 CA ARG A 67 10.462 2.292 1.774 1.00 0.00 C ATOM 974 C ARG A 67 11.307 3.508 1.388 1.00 0.00 C ATOM 975 O ARG A 67 12.285 3.825 2.040 1.00 0.00 O ATOM 976 CB ARG A 67 11.287 1.011 1.718 1.00 0.00 C ATOM 977 CG ARG A 67 12.005 0.794 0.411 1.00 0.00 C ATOM 978 CD ARG A 67 12.548 -0.625 0.321 1.00 0.00 C ATOM 979 NE ARG A 67 11.464 -1.619 0.183 1.00 0.00 N ATOM 980 CZ ARG A 67 11.250 -2.679 0.979 1.00 0.00 C ATOM 981 NH1 ARG A 67 11.977 -2.867 2.067 1.00 0.00 N ATOM 982 NH2 ARG A 67 10.284 -3.546 0.683 1.00 0.00 N ATOM 0 H ARG A 67 9.304 1.352 0.326 1.00 0.00 H new ATOM 0 HA ARG A 67 10.135 2.465 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.021 1.029 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.630 0.161 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.323 0.980 -0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.823 1.508 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.223 -0.703 -0.531 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.134 -0.847 1.213 1.00 0.00 H new ATOM 0 HE ARG A 67 10.815 -1.487 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.711 -2.202 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.804 -3.677 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.708 -3.404 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.120 -4.352 1.286 1.00 0.00 H new ATOM 996 N ASN A 68 10.938 4.163 0.338 1.00 0.00 N ATOM 997 CA ASN A 68 11.666 5.317 -0.128 1.00 0.00 C ATOM 998 C ASN A 68 10.970 6.618 0.211 1.00 0.00 C ATOM 999 O ASN A 68 11.207 7.651 -0.407 1.00 0.00 O ATOM 1000 CB ASN A 68 11.936 5.244 -1.598 1.00 0.00 C ATOM 1001 CG ASN A 68 10.718 5.090 -2.493 1.00 0.00 C ATOM 1002 OD1 ASN A 68 9.676 4.565 -2.101 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.842 5.515 -3.704 1.00 0.00 N ATOM 0 H ASN A 68 10.125 3.921 -0.228 1.00 0.00 H new ATOM 0 HA ASN A 68 12.619 5.305 0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.468 6.148 -1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.606 4.404 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.067 5.419 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.715 5.947 -4.006 1.00 0.00 H new ATOM 1010 N SER A 69 10.139 6.552 1.175 1.00 0.00 N ATOM 1011 CA SER A 69 9.485 7.717 1.720 1.00 0.00 C ATOM 1012 C SER A 69 10.160 8.032 3.079 1.00 0.00 C ATOM 1013 O SER A 69 11.178 7.393 3.412 1.00 0.00 O ATOM 1014 CB SER A 69 7.992 7.437 1.884 1.00 0.00 C ATOM 1015 OG SER A 69 7.763 6.354 2.768 1.00 0.00 O ATOM 0 H SER A 69 9.875 5.678 1.631 1.00 0.00 H new ATOM 0 HA SER A 69 9.582 8.577 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.492 8.329 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.553 7.214 0.912 1.00 0.00 H new ATOM 0 HG SER A 69 7.714 5.519 2.257 1.00 0.00 H new ATOM 1021 N GLN A 70 9.644 8.980 3.851 1.00 0.00 N ATOM 1022 CA GLN A 70 10.239 9.288 5.150 1.00 0.00 C ATOM 1023 C GLN A 70 9.736 8.292 6.183 1.00 0.00 C ATOM 1024 O GLN A 70 10.515 7.717 6.971 1.00 0.00 O ATOM 1025 CB GLN A 70 9.835 10.690 5.620 1.00 0.00 C ATOM 1026 CG GLN A 70 10.466 11.108 6.945 1.00 0.00 C ATOM 1027 CD GLN A 70 9.712 12.234 7.624 1.00 0.00 C ATOM 1028 OE1 GLN A 70 9.960 13.413 7.375 1.00 0.00 O ATOM 1029 NE2 GLN A 70 8.835 11.890 8.534 1.00 0.00 N ATOM 0 H GLN A 70 8.828 9.542 3.608 1.00 0.00 H new ATOM 0 HA GLN A 70 11.323 9.235 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.113 11.413 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.750 10.730 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.503 10.247 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.496 11.420 6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.651 10.904 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.336 12.608 9.059 1.00 0.00 H new ATOM 1038 N GLU A 71 8.433 8.073 6.158 1.00 0.00 N ATOM 1039 CA GLU A 71 7.789 7.244 7.151 1.00 0.00 C ATOM 1040 C GLU A 71 7.748 5.805 6.795 1.00 0.00 C ATOM 1041 O GLU A 71 7.840 4.957 7.675 1.00 0.00 O ATOM 1042 CB GLU A 71 6.394 7.736 7.447 1.00 0.00 C ATOM 1043 CG GLU A 71 6.382 9.020 8.215 1.00 0.00 C ATOM 1044 CD GLU A 71 7.134 8.869 9.507 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.656 8.152 10.397 1.00 0.00 O ATOM 1046 OE2 GLU A 71 8.241 9.427 9.635 1.00 0.00 O ATOM 0 H GLU A 71 7.802 8.461 5.457 1.00 0.00 H new ATOM 0 HA GLU A 71 8.408 7.330 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.856 7.874 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.858 6.974 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.831 9.812 7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.354 9.319 8.419 1.00 0.00 H new ATOM 1053 N GLN A 72 7.623 5.528 5.507 1.00 0.00 N ATOM 1054 CA GLN A 72 7.532 4.166 4.997 1.00 0.00 C ATOM 1055 C GLN A 72 6.349 3.468 5.670 1.00 0.00 C ATOM 1056 O GLN A 72 6.487 2.433 6.309 1.00 0.00 O ATOM 1057 CB GLN A 72 8.863 3.418 5.235 1.00 0.00 C ATOM 1058 CG GLN A 72 10.051 4.191 4.705 1.00 0.00 C ATOM 1059 CD GLN A 72 11.363 3.553 4.908 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.425 2.301 4.817 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 12.368 4.241 5.078 1.00 0.00 N flip ATOM 0 H GLN A 72 7.581 6.244 4.781 1.00 0.00 H new ATOM 0 HA GLN A 72 7.361 4.173 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.993 3.241 6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.821 2.442 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.908 4.356 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.066 5.172 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.286 5.255 5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.284 3.797 5.149 1.00 0.00 H new ATOM 1070 N HIS A 73 5.173 4.080 5.525 1.00 0.00 N ATOM 1071 CA HIS A 73 3.978 3.659 6.163 1.00 0.00 C ATOM 1072 C HIS A 73 3.592 2.209 5.851 1.00 0.00 C ATOM 1073 O HIS A 73 3.058 1.522 6.707 1.00 0.00 O ATOM 1074 CB HIS A 73 2.874 4.613 5.792 1.00 0.00 C ATOM 1075 CG HIS A 73 2.886 5.953 6.512 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.599 7.106 5.846 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.031 6.236 7.827 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.544 8.050 6.717 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.805 7.584 7.956 1.00 0.00 N ATOM 0 H HIS A 73 5.048 4.905 4.938 1.00 0.00 H new ATOM 0 HA HIS A 73 4.149 3.678 7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.925 4.798 4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.918 4.126 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.275 5.541 8.617 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.318 9.081 6.487 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.830 8.127 8.819 1.00 0.00 H new ATOM 1087 N ALA A 74 3.892 1.747 4.640 1.00 0.00 N ATOM 1088 CA ALA A 74 3.611 0.354 4.257 1.00 0.00 C ATOM 1089 C ALA A 74 4.498 -0.596 5.070 1.00 0.00 C ATOM 1090 O ALA A 74 4.057 -1.673 5.530 1.00 0.00 O ATOM 1091 CB ALA A 74 3.846 0.161 2.762 1.00 0.00 C ATOM 0 H ALA A 74 4.327 2.307 3.907 1.00 0.00 H new ATOM 0 HA ALA A 74 2.567 0.127 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.635 -0.873 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.188 0.825 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.884 0.394 2.524 1.00 0.00 H new ATOM 1097 N LEU A 75 5.703 -0.142 5.324 1.00 0.00 N ATOM 1098 CA LEU A 75 6.697 -0.896 6.060 1.00 0.00 C ATOM 1099 C LEU A 75 6.253 -0.965 7.501 1.00 0.00 C ATOM 1100 O LEU A 75 6.168 -2.039 8.069 1.00 0.00 O ATOM 1101 CB LEU A 75 8.099 -0.252 5.938 1.00 0.00 C ATOM 1102 CG LEU A 75 8.827 -0.316 4.564 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.237 -1.717 4.243 1.00 0.00 C ATOM 1104 CD2 LEU A 75 7.986 0.243 3.424 1.00 0.00 C ATOM 0 H LEU A 75 6.028 0.776 5.021 1.00 0.00 H new ATOM 0 HA LEU A 75 6.781 -1.901 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.007 0.798 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.746 -0.723 6.678 1.00 0.00 H new ATOM 0 HG LEU A 75 9.712 0.312 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.744 -1.736 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.913 -2.084 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.354 -2.354 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.545 0.172 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.063 -0.330 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.748 1.287 3.626 1.00 0.00 H new ATOM 1116 N LYS A 76 5.937 0.189 8.078 1.00 0.00 N ATOM 1117 CA LYS A 76 5.372 0.266 9.422 1.00 0.00 C ATOM 1118 C LYS A 76 4.083 -0.537 9.567 1.00 0.00 C ATOM 1119 O LYS A 76 3.808 -1.098 10.622 1.00 0.00 O ATOM 1120 CB LYS A 76 5.118 1.713 9.796 1.00 0.00 C ATOM 1121 CG LYS A 76 6.376 2.486 9.930 1.00 0.00 C ATOM 1122 CD LYS A 76 6.120 3.901 10.385 1.00 0.00 C ATOM 1123 CE LYS A 76 7.419 4.517 10.808 1.00 0.00 C ATOM 1124 NZ LYS A 76 7.240 5.829 11.487 1.00 0.00 N ATOM 0 H LYS A 76 6.065 1.096 7.629 1.00 0.00 H new ATOM 0 HA LYS A 76 6.104 -0.173 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.487 2.177 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.568 1.752 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.034 1.989 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.897 2.501 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.673 4.481 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.412 3.908 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.939 3.833 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.055 4.650 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.007 5.971 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.263 6.592 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.325 5.842 11.981 1.00 0.00 H new ATOM 1138 N HIS A 77 3.319 -0.625 8.496 1.00 0.00 N ATOM 1139 CA HIS A 77 2.054 -1.361 8.506 1.00 0.00 C ATOM 1140 C HIS A 77 2.333 -2.845 8.579 1.00 0.00 C ATOM 1141 O HIS A 77 1.556 -3.607 9.174 1.00 0.00 O ATOM 1142 CB HIS A 77 1.219 -0.990 7.289 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.150 -1.614 7.187 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.255 -1.093 7.802 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.596 -2.674 6.436 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.318 -1.810 7.419 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -1.978 -2.782 6.589 1.00 0.00 N ATOM 0 H HIS A 77 3.547 -0.196 7.599 1.00 0.00 H new ATOM 0 HA HIS A 77 1.473 -1.088 9.387 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.100 0.093 7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.782 -1.259 6.396 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.267 -0.298 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.022 -3.318 5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.329 -1.619 7.747 1.00 0.00 H new ATOM 1155 N TYR A 78 3.425 -3.252 7.984 1.00 0.00 N ATOM 1156 CA TYR A 78 3.859 -4.624 8.118 1.00 0.00 C ATOM 1157 C TYR A 78 4.474 -4.854 9.480 1.00 0.00 C ATOM 1158 O TYR A 78 4.282 -5.909 10.101 1.00 0.00 O ATOM 1159 CB TYR A 78 4.850 -4.996 7.036 1.00 0.00 C ATOM 1160 CG TYR A 78 5.503 -6.353 7.256 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.755 -7.526 7.229 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.870 -6.452 7.501 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.352 -8.754 7.441 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.472 -7.674 7.711 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.710 -8.821 7.682 1.00 0.00 C ATOM 1166 OH TYR A 78 7.309 -10.044 7.882 1.00 0.00 O ATOM 0 H TYR A 78 4.026 -2.663 7.408 1.00 0.00 H new ATOM 0 HA TYR A 78 2.981 -5.260 8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.341 -4.998 6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.625 -4.232 6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.693 -7.476 7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.470 -5.554 7.527 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.760 -9.657 7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.534 -7.732 7.897 1.00 0.00 H new ATOM 0 HH TYR A 78 8.268 -9.917 8.037 1.00 0.00 H new ATOM 1176 N LEU A 79 5.192 -3.859 9.973 1.00 0.00 N ATOM 1177 CA LEU A 79 5.854 -3.960 11.248 1.00 0.00 C ATOM 1178 C LEU A 79 4.883 -3.740 12.367 1.00 0.00 C ATOM 1179 O LEU A 79 5.248 -3.797 13.539 1.00 0.00 O ATOM 1180 CB LEU A 79 7.022 -2.972 11.328 1.00 0.00 C ATOM 1181 CG LEU A 79 8.106 -3.165 10.265 1.00 0.00 C ATOM 1182 CD1 LEU A 79 9.268 -2.216 10.478 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.566 -4.607 10.240 1.00 0.00 C ATOM 0 H LEU A 79 5.328 -2.966 9.498 1.00 0.00 H new ATOM 0 HA LEU A 79 6.258 -4.967 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.628 -1.959 11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.481 -3.055 12.313 1.00 0.00 H new ATOM 0 HG LEU A 79 7.675 -2.927 9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.019 -2.381 9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.912 -1.187 10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.710 -2.396 11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.337 -4.730 9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.972 -4.876 11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.721 -5.255 10.008 1.00 0.00 H new ATOM 1195 N THR A 80 3.654 -3.463 12.004 1.00 0.00 N ATOM 1196 CA THR A 80 2.593 -3.401 12.967 1.00 0.00 C ATOM 1197 C THR A 80 2.424 -4.807 13.566 1.00 0.00 C ATOM 1198 O THR A 80 2.233 -5.767 12.817 1.00 0.00 O ATOM 1199 CB THR A 80 1.271 -2.984 12.293 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.400 -1.673 11.716 1.00 0.00 O ATOM 1201 CG2 THR A 80 0.110 -3.014 13.280 1.00 0.00 C ATOM 0 H THR A 80 3.368 -3.277 11.043 1.00 0.00 H new ATOM 0 HA THR A 80 2.836 -2.667 13.735 1.00 0.00 H new ATOM 0 HB THR A 80 1.056 -3.703 11.502 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.337 -1.510 11.481 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.807 -2.715 12.772 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.006 -4.024 13.674 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.312 -2.325 14.100 1.00 0.00 H new ATOM 1209 N PRO A 81 2.531 -4.956 14.897 1.00 0.00 N ATOM 1210 CA PRO A 81 2.377 -6.241 15.556 1.00 0.00 C ATOM 1211 C PRO A 81 0.933 -6.672 15.578 1.00 0.00 C ATOM 1212 O PRO A 81 0.166 -6.421 16.512 1.00 0.00 O ATOM 1213 CB PRO A 81 2.907 -6.025 16.942 1.00 0.00 C ATOM 1214 CG PRO A 81 2.711 -4.584 17.184 1.00 0.00 C ATOM 1215 CD PRO A 81 2.807 -3.889 15.856 1.00 0.00 C ATOM 0 HA PRO A 81 2.911 -7.037 15.036 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.368 -6.628 17.673 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.959 -6.301 17.014 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.740 -4.401 17.644 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.466 -4.204 17.872 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.084 -3.077 15.774 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.794 -3.454 15.700 1.00 0.00 H new ATOM 1223 N ARG A 82 0.582 -7.196 14.505 1.00 0.00 N ATOM 1224 CA ARG A 82 -0.739 -7.680 14.235 1.00 0.00 C ATOM 1225 C ARG A 82 -0.721 -9.202 14.096 1.00 0.00 C ATOM 1226 O ARG A 82 0.305 -9.782 13.714 1.00 0.00 O ATOM 1227 CB ARG A 82 -1.271 -7.016 12.955 1.00 0.00 C ATOM 1228 CG ARG A 82 -0.417 -7.266 11.725 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.033 -6.671 10.477 1.00 0.00 C ATOM 1230 NE ARG A 82 -0.975 -5.204 10.462 1.00 0.00 N ATOM 1231 CZ ARG A 82 -2.035 -4.372 10.529 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -3.282 -4.847 10.654 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -1.836 -3.059 10.479 1.00 0.00 N ATOM 0 H ARG A 82 1.222 -7.323 13.721 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.401 -7.426 15.063 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.281 -7.379 12.763 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -1.345 -5.941 13.120 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.574 -6.839 11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.284 -8.339 11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.516 -7.060 9.600 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.072 -6.990 10.402 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.052 -4.776 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.442 -5.853 10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.071 -4.202 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.889 -2.690 10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.630 -2.421 10.529 1.00 0.00 H new ATOM 1247 N SER A 83 -1.835 -9.836 14.419 1.00 0.00 N ATOM 1248 CA SER A 83 -1.965 -11.277 14.327 1.00 0.00 C ATOM 1249 C SER A 83 -2.053 -11.704 12.856 1.00 0.00 C ATOM 1250 O SER A 83 -1.448 -12.699 12.451 1.00 0.00 O ATOM 1251 CB SER A 83 -3.196 -11.754 15.130 1.00 0.00 C ATOM 1252 OG SER A 83 -3.322 -13.175 15.124 1.00 0.00 O ATOM 0 H SER A 83 -2.675 -9.364 14.753 1.00 0.00 H new ATOM 0 HA SER A 83 -1.082 -11.747 14.761 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.116 -11.402 16.158 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.098 -11.309 14.709 1.00 0.00 H new ATOM 0 HG SER A 83 -4.111 -13.436 15.643 1.00 0.00 H new ATOM 1258 N GLU A 84 -2.786 -10.948 12.069 1.00 0.00 N ATOM 1259 CA GLU A 84 -2.894 -11.183 10.633 1.00 0.00 C ATOM 1260 C GLU A 84 -1.578 -10.823 9.958 1.00 0.00 C ATOM 1261 O GLU A 84 -0.788 -10.080 10.520 1.00 0.00 O ATOM 1262 CB GLU A 84 -3.989 -10.322 10.066 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.385 -10.771 10.418 1.00 0.00 C ATOM 1264 CD GLU A 84 -5.834 -11.907 9.539 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.367 -11.646 8.433 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -5.656 -13.072 9.902 1.00 0.00 O ATOM 0 H GLU A 84 -3.328 -10.150 12.400 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.122 -12.234 10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.850 -9.300 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.891 -10.300 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.416 -11.082 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.075 -9.934 10.314 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.301 -11.351 8.765 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.064 -11.049 8.095 1.00 0.00 C ATOM 1275 C PRO A 85 -0.032 -9.646 7.453 1.00 0.00 C ATOM 1276 O PRO A 85 0.815 -8.830 7.808 1.00 0.00 O ATOM 1277 CB PRO A 85 0.084 -12.165 7.062 1.00 0.00 C ATOM 1278 CG PRO A 85 -1.303 -12.650 6.800 1.00 0.00 C ATOM 1279 CD PRO A 85 -2.120 -12.337 8.027 1.00 0.00 C ATOM 0 HA PRO A 85 0.768 -11.014 8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.550 -11.795 6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.716 -12.969 7.440 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.723 -12.160 5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.305 -13.721 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.095 -11.927 7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.301 -13.231 8.624 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.983 -9.370 6.507 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.032 -8.081 5.755 1.00 0.00 C ATOM 1289 C HIS A 86 0.274 -7.835 5.062 1.00 0.00 C ATOM 1290 O HIS A 86 0.687 -6.702 4.867 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.373 -6.888 6.665 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.778 -6.878 7.136 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.421 -7.781 7.899 1.00 0.00 N flip ATOM 1294 CD2 HIS A 86 -3.642 -5.869 6.798 1.00 0.00 C flip ATOM 1295 CE1 HIS A 86 -4.696 -7.345 8.044 1.00 0.00 C flip ATOM 1296 NE2 HIS A 86 -4.795 -6.198 7.369 1.00 0.00 N flip ATOM 0 H HIS A 86 -1.723 -10.024 6.250 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.829 -8.170 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.710 -6.901 7.530 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.174 -5.962 6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.431 -4.996 6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.483 -7.833 8.600 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.649 -5.644 7.300 1.00 0.00 H new ATOM 1304 N CYS A 87 0.839 -8.896 4.584 1.00 0.00 N ATOM 1305 CA CYS A 87 2.190 -8.863 4.081 1.00 0.00 C ATOM 1306 C CYS A 87 2.255 -8.723 2.592 1.00 0.00 C ATOM 1307 O CYS A 87 3.308 -8.944 1.989 1.00 0.00 O ATOM 1308 CB CYS A 87 2.891 -10.134 4.479 1.00 0.00 C ATOM 1309 SG CYS A 87 1.952 -11.629 4.079 1.00 0.00 S ATOM 0 H CYS A 87 0.387 -9.809 4.528 1.00 0.00 H new ATOM 0 HA CYS A 87 2.674 -7.987 4.513 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.859 -10.178 3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.086 -10.112 5.551 1.00 0.00 H new ATOM 0 HG CYS A 87 1.761 -11.691 2.795 1.00 0.00 H new ATOM 1315 N LEU A 88 1.157 -8.394 2.011 1.00 0.00 N ATOM 1316 CA LEU A 88 1.057 -8.268 0.593 1.00 0.00 C ATOM 1317 C LEU A 88 0.686 -6.921 0.225 1.00 0.00 C ATOM 1318 O LEU A 88 -0.318 -6.403 0.677 1.00 0.00 O ATOM 1319 CB LEU A 88 0.151 -9.317 -0.022 1.00 0.00 C ATOM 1320 CG LEU A 88 0.831 -10.618 -0.205 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.082 -11.710 -0.661 1.00 0.00 C ATOM 1322 CD2 LEU A 88 1.992 -10.513 -1.148 1.00 0.00 C ATOM 0 H LEU A 88 0.288 -8.201 2.510 1.00 0.00 H new ATOM 0 HA LEU A 88 2.044 -8.460 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.724 -9.454 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.209 -8.960 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 88 1.194 -10.886 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.484 -12.634 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.871 -11.856 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.526 -11.437 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.464 -11.490 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.640 -10.172 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.717 -9.801 -0.754 1.00 0.00 H new ATOM 1334 N VAL A 89 1.538 -6.332 -0.549 1.00 0.00 N ATOM 1335 CA VAL A 89 1.324 -5.022 -1.064 1.00 0.00 C ATOM 1336 C VAL A 89 1.708 -5.022 -2.530 1.00 0.00 C ATOM 1337 O VAL A 89 2.626 -5.727 -2.934 1.00 0.00 O ATOM 1338 CB VAL A 89 2.153 -3.933 -0.313 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.786 -3.838 1.155 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.632 -4.176 -0.464 1.00 0.00 C ATOM 0 H VAL A 89 2.417 -6.756 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 89 0.272 -4.772 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 89 1.903 -2.979 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.391 -3.067 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.731 -3.583 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.973 -4.796 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.184 -3.402 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.884 -5.152 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.899 -4.150 -1.520 1.00 0.00 H new ATOM 1350 N LEU A 90 0.970 -4.337 -3.322 1.00 0.00 N ATOM 1351 CA LEU A 90 1.301 -4.201 -4.708 1.00 0.00 C ATOM 1352 C LEU A 90 1.758 -2.783 -4.931 1.00 0.00 C ATOM 1353 O LEU A 90 1.311 -1.872 -4.242 1.00 0.00 O ATOM 1354 CB LEU A 90 0.073 -4.566 -5.592 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.002 -3.503 -5.758 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.684 -2.609 -6.933 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.383 -4.097 -5.900 1.00 0.00 C ATOM 0 H LEU A 90 0.119 -3.852 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 90 2.102 -4.885 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.438 -4.836 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.394 -5.456 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.005 -2.905 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.463 -1.854 -7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.276 -2.119 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.635 -3.207 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.113 -3.296 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.412 -4.744 -6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.622 -4.680 -5.010 1.00 0.00 H new ATOM 1369 N SER A 91 2.626 -2.591 -5.851 1.00 0.00 N ATOM 1370 CA SER A 91 3.146 -1.288 -6.119 1.00 0.00 C ATOM 1371 C SER A 91 2.272 -0.590 -7.156 1.00 0.00 C ATOM 1372 O SER A 91 1.898 -1.197 -8.159 1.00 0.00 O ATOM 1373 CB SER A 91 4.551 -1.436 -6.693 1.00 0.00 C ATOM 1374 OG SER A 91 4.486 -1.863 -8.023 1.00 0.00 O ATOM 0 H SER A 91 3.003 -3.329 -6.446 1.00 0.00 H new ATOM 0 HA SER A 91 3.163 -0.704 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.078 -0.484 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.120 -2.152 -6.101 1.00 0.00 H new ATOM 0 HG SER A 91 3.554 -2.049 -8.262 1.00 0.00 H new ATOM 1380 N LEU A 92 2.002 0.652 -6.954 1.00 0.00 N ATOM 1381 CA LEU A 92 1.278 1.459 -7.923 1.00 0.00 C ATOM 1382 C LEU A 92 2.259 2.121 -8.871 1.00 0.00 C ATOM 1383 O LEU A 92 1.909 3.011 -9.639 1.00 0.00 O ATOM 1384 CB LEU A 92 0.463 2.499 -7.181 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.728 1.944 -6.423 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.243 2.953 -5.475 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.826 1.606 -7.376 1.00 0.00 C ATOM 0 H LEU A 92 2.272 1.158 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 92 0.607 0.831 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.114 3.019 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.108 3.242 -7.896 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.404 1.053 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.098 2.544 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.460 3.218 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.552 3.843 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.677 1.208 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.130 2.504 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.473 0.859 -8.087 1.00 0.00 H new ATOM 1399 N ASP A 93 3.471 1.638 -8.826 1.00 0.00 N ATOM 1400 CA ASP A 93 4.561 2.183 -9.586 1.00 0.00 C ATOM 1401 C ASP A 93 4.943 1.229 -10.690 1.00 0.00 C ATOM 1402 O ASP A 93 4.806 1.539 -11.864 1.00 0.00 O ATOM 1403 CB ASP A 93 5.776 2.442 -8.673 1.00 0.00 C ATOM 1404 CG ASP A 93 5.549 3.534 -7.639 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.811 3.307 -6.639 1.00 0.00 O ATOM 1406 OD2 ASP A 93 6.099 4.643 -7.809 1.00 0.00 O ATOM 0 H ASP A 93 3.733 0.839 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 93 4.244 3.130 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.035 1.517 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.631 2.713 -9.292 1.00 0.00 H new ATOM 1411 N ASN A 94 5.378 0.036 -10.314 1.00 0.00 N ATOM 1412 CA ASN A 94 5.816 -0.955 -11.307 1.00 0.00 C ATOM 1413 C ASN A 94 4.766 -2.023 -11.459 1.00 0.00 C ATOM 1414 O ASN A 94 4.905 -2.946 -12.270 1.00 0.00 O ATOM 1415 CB ASN A 94 7.134 -1.632 -10.891 1.00 0.00 C ATOM 1416 CG ASN A 94 8.333 -0.702 -10.789 1.00 0.00 C ATOM 1417 OD1 ASN A 94 8.448 0.296 -11.497 1.00 0.00 O ATOM 1418 ND2 ASN A 94 9.235 -1.030 -9.909 1.00 0.00 N ATOM 0 H ASN A 94 5.440 -0.274 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 94 5.971 -0.426 -12.248 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.987 -2.117 -9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.364 -2.418 -11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.067 -0.452 -9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.109 -1.865 -9.337 1.00 0.00 H new ATOM 1425 N TRP A 95 3.712 -1.891 -10.657 1.00 0.00 N ATOM 1426 CA TRP A 95 2.633 -2.876 -10.564 1.00 0.00 C ATOM 1427 C TRP A 95 3.160 -4.246 -10.155 1.00 0.00 C ATOM 1428 O TRP A 95 2.655 -5.286 -10.594 1.00 0.00 O ATOM 1429 CB TRP A 95 1.781 -2.927 -11.840 1.00 0.00 C ATOM 1430 CG TRP A 95 0.949 -1.696 -12.012 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.200 -0.636 -12.828 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.266 -1.388 -11.318 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.208 0.302 -12.690 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.698 -0.131 -11.771 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.031 -2.057 -10.365 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.858 0.471 -11.300 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.183 -1.457 -9.897 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.587 -0.205 -10.364 1.00 0.00 C ATOM 0 H TRP A 95 3.580 -1.086 -10.044 1.00 0.00 H new ATOM 0 HA TRP A 95 1.963 -2.547 -9.769 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.433 -3.047 -12.706 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.131 -3.801 -11.806 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.052 -0.547 -13.485 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.157 1.186 -13.197 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.728 -3.027 -9.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.172 1.439 -11.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.782 -1.965 -9.156 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.493 0.237 -9.978 1.00 0.00 H new ATOM 1449 N SER A 96 4.141 -4.238 -9.261 1.00 0.00 N ATOM 1450 CA SER A 96 4.717 -5.446 -8.769 1.00 0.00 C ATOM 1451 C SER A 96 4.059 -5.784 -7.488 1.00 0.00 C ATOM 1452 O SER A 96 3.251 -5.005 -6.978 1.00 0.00 O ATOM 1453 CB SER A 96 6.176 -5.255 -8.486 1.00 0.00 C ATOM 1454 OG SER A 96 6.853 -4.722 -9.619 1.00 0.00 O ATOM 0 H SER A 96 4.546 -3.388 -8.869 1.00 0.00 H new ATOM 0 HA SER A 96 4.586 -6.230 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.300 -4.584 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.623 -6.209 -8.207 1.00 0.00 H new ATOM 0 HG SER A 96 7.803 -4.605 -9.408 1.00 0.00 H new ATOM 1460 N VAL A 97 4.399 -6.905 -6.957 1.00 0.00 N ATOM 1461 CA VAL A 97 3.855 -7.310 -5.723 1.00 0.00 C ATOM 1462 C VAL A 97 4.995 -7.537 -4.768 1.00 0.00 C ATOM 1463 O VAL A 97 6.058 -7.966 -5.183 1.00 0.00 O ATOM 1464 CB VAL A 97 3.101 -8.614 -5.879 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.306 -8.887 -4.703 1.00 0.00 C ATOM 1466 CG2 VAL A 97 2.229 -8.596 -7.048 1.00 0.00 C ATOM 0 H VAL A 97 5.061 -7.562 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 97 3.171 -6.543 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 97 3.846 -9.399 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.772 -9.828 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.957 -8.959 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.588 -8.080 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.705 -9.549 -7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.502 -7.790 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.827 -8.436 -7.945 1.00 0.00 H new ATOM 1476 N TRP A 98 4.795 -7.250 -3.530 1.00 0.00 N ATOM 1477 CA TRP A 98 5.788 -7.506 -2.557 1.00 0.00 C ATOM 1478 C TRP A 98 5.165 -8.319 -1.460 1.00 0.00 C ATOM 1479 O TRP A 98 4.040 -7.993 -0.997 1.00 0.00 O ATOM 1480 CB TRP A 98 6.392 -6.233 -1.964 1.00 0.00 C ATOM 1481 CG TRP A 98 7.632 -6.557 -1.215 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.762 -6.810 0.119 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.913 -6.728 -1.787 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.055 -7.152 0.402 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.782 -7.096 -0.758 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.408 -6.604 -3.086 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.111 -7.350 -0.981 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.737 -6.853 -3.312 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.581 -7.226 -2.265 1.00 0.00 C ATOM 0 H TRP A 98 3.938 -6.832 -3.167 1.00 0.00 H new ATOM 0 HA TRP A 98 6.604 -8.040 -3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.614 -5.522 -2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.672 -5.754 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 98 6.963 -6.749 0.843 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.417 -7.406 1.321 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.756 -6.317 -3.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.767 -7.638 -0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.135 -6.759 -4.311 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.624 -7.421 -2.469 1.00 0.00 H new ATOM 1500 N CYS A 99 5.853 -9.382 -1.051 1.00 0.00 N ATOM 1501 CA CYS A 99 5.397 -10.165 0.061 1.00 0.00 C ATOM 1502 C CYS A 99 6.442 -10.078 1.089 1.00 0.00 C ATOM 1503 O CYS A 99 7.541 -10.561 0.891 1.00 0.00 O ATOM 1504 CB CYS A 99 5.115 -11.630 -0.293 1.00 0.00 C ATOM 1505 SG CYS A 99 4.632 -12.675 1.116 1.00 0.00 S ATOM 0 H CYS A 99 6.720 -9.708 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 99 4.442 -9.769 0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.322 -11.663 -1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.006 -12.056 -0.755 1.00 0.00 H new ATOM 0 HG CYS A 99 3.946 -13.692 0.687 1.00 0.00 H new ATOM 1510 N TYR A 100 6.110 -9.488 2.181 1.00 0.00 N ATOM 1511 CA TYR A 100 7.086 -9.221 3.220 1.00 0.00 C ATOM 1512 C TYR A 100 7.588 -10.485 3.891 1.00 0.00 C ATOM 1513 O TYR A 100 8.730 -10.549 4.335 1.00 0.00 O ATOM 1514 CB TYR A 100 6.517 -8.316 4.262 1.00 0.00 C ATOM 1515 CG TYR A 100 6.142 -6.943 3.801 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.100 -5.962 3.618 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.826 -6.619 3.596 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.749 -4.688 3.233 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.456 -5.351 3.203 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.426 -4.386 3.027 1.00 0.00 C ATOM 1521 OH TYR A 100 5.069 -3.119 2.655 1.00 0.00 O ATOM 0 H TYR A 100 5.164 -9.171 2.396 1.00 0.00 H new ATOM 0 HA TYR A 100 7.930 -8.741 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.631 -8.791 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.243 -8.221 5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.141 -6.200 3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.065 -7.371 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.508 -3.932 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.416 -5.115 3.034 1.00 0.00 H new ATOM 0 HH TYR A 100 5.795 -2.714 2.136 1.00 0.00 H new ATOM 1531 N VAL A 101 6.745 -11.486 3.941 1.00 0.00 N ATOM 1532 CA VAL A 101 7.096 -12.725 4.612 1.00 0.00 C ATOM 1533 C VAL A 101 7.855 -13.669 3.653 1.00 0.00 C ATOM 1534 O VAL A 101 8.618 -14.523 4.084 1.00 0.00 O ATOM 1535 CB VAL A 101 5.847 -13.393 5.241 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.833 -13.665 4.190 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.194 -14.659 6.016 1.00 0.00 C ATOM 0 H VAL A 101 5.812 -11.473 3.528 1.00 0.00 H new ATOM 0 HA VAL A 101 7.773 -12.495 5.435 1.00 0.00 H new ATOM 0 HB VAL A 101 5.427 -12.695 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.959 -14.134 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.539 -12.728 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.257 -14.332 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.285 -15.089 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.659 -15.381 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.886 -14.414 6.822 1.00 0.00 H new ATOM 1547 N CYS A 102 7.661 -13.484 2.337 1.00 0.00 N ATOM 1548 CA CYS A 102 8.454 -14.221 1.370 1.00 0.00 C ATOM 1549 C CYS A 102 9.765 -13.473 1.258 1.00 0.00 C ATOM 1550 O CYS A 102 10.841 -14.058 1.067 1.00 0.00 O ATOM 1551 CB CYS A 102 7.772 -14.279 -0.006 1.00 0.00 C ATOM 1552 SG CYS A 102 6.534 -15.575 -0.264 1.00 0.00 S ATOM 0 H CYS A 102 6.976 -12.844 1.936 1.00 0.00 H new ATOM 0 HA CYS A 102 8.587 -15.253 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.295 -13.316 -0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.548 -14.398 -0.762 1.00 0.00 H new ATOM 0 HG CYS A 102 5.639 -15.514 0.677 1.00 0.00 H new ATOM 1557 N ASP A 103 9.622 -12.164 1.461 1.00 0.00 N ATOM 1558 CA ASP A 103 10.688 -11.177 1.450 1.00 0.00 C ATOM 1559 C ASP A 103 11.304 -11.073 0.075 1.00 0.00 C ATOM 1560 O ASP A 103 12.531 -11.032 -0.102 1.00 0.00 O ATOM 1561 CB ASP A 103 11.712 -11.452 2.559 1.00 0.00 C ATOM 1562 CG ASP A 103 12.761 -10.361 2.731 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.424 -9.159 2.676 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.929 -10.693 3.003 1.00 0.00 O ATOM 0 H ASP A 103 8.710 -11.747 1.647 1.00 0.00 H new ATOM 0 HA ASP A 103 10.265 -10.198 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.182 -11.581 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.217 -12.394 2.345 1.00 0.00 H new ATOM 1569 N ASN A 104 10.439 -11.000 -0.911 1.00 0.00 N ATOM 1570 CA ASN A 104 10.830 -10.834 -2.245 1.00 0.00 C ATOM 1571 C ASN A 104 9.631 -10.231 -2.995 1.00 0.00 C ATOM 1572 O ASN A 104 8.522 -10.023 -2.393 1.00 0.00 O ATOM 1573 CB ASN A 104 11.191 -12.185 -2.852 1.00 0.00 C ATOM 1574 CG ASN A 104 9.977 -13.013 -3.052 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.596 -13.782 -2.219 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.381 -12.856 -4.161 1.00 0.00 N ATOM 0 H ASN A 104 9.429 -11.058 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 104 11.702 -10.184 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.697 -12.037 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.890 -12.708 -2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.542 -13.397 -4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.741 -12.189 -4.843 1.00 0.00 H new ATOM 1583 N GLU A 105 9.831 -10.006 -4.277 1.00 0.00 N ATOM 1584 CA GLU A 105 8.831 -9.494 -5.160 1.00 0.00 C ATOM 1585 C GLU A 105 8.026 -10.630 -5.749 1.00 0.00 C ATOM 1586 O GLU A 105 8.599 -11.511 -6.382 1.00 0.00 O ATOM 1587 CB GLU A 105 9.532 -8.801 -6.277 1.00 0.00 C ATOM 1588 CG GLU A 105 8.589 -7.994 -7.109 1.00 0.00 C ATOM 1589 CD GLU A 105 9.256 -7.132 -8.141 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.988 -6.182 -7.768 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.024 -7.354 -9.357 1.00 0.00 O ATOM 0 H GLU A 105 10.724 -10.183 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 105 8.166 -8.822 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.307 -8.150 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.031 -9.538 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.896 -8.670 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.995 -7.359 -6.451 1.00 0.00 H new ATOM 1598 N VAL A 106 6.735 -10.598 -5.594 1.00 0.00 N ATOM 1599 CA VAL A 106 5.909 -11.689 -6.051 1.00 0.00 C ATOM 1600 C VAL A 106 5.402 -11.426 -7.458 1.00 0.00 C ATOM 1601 O VAL A 106 5.084 -10.292 -7.829 1.00 0.00 O ATOM 1602 CB VAL A 106 4.741 -12.001 -5.073 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.973 -13.239 -5.520 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.298 -12.237 -3.695 1.00 0.00 C ATOM 0 H VAL A 106 6.226 -9.831 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 106 6.536 -12.580 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 106 4.058 -11.151 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.161 -13.436 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.561 -13.072 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.647 -14.096 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.483 -12.456 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.988 -13.080 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.827 -11.345 -3.359 1.00 0.00 H new ATOM 1614 N GLN A 107 5.335 -12.478 -8.213 1.00 0.00 N ATOM 1615 CA GLN A 107 5.004 -12.465 -9.586 1.00 0.00 C ATOM 1616 C GLN A 107 3.738 -13.281 -9.833 1.00 0.00 C ATOM 1617 O GLN A 107 3.707 -14.495 -9.644 1.00 0.00 O ATOM 1618 CB GLN A 107 6.192 -13.016 -10.446 1.00 0.00 C ATOM 1619 CG GLN A 107 6.690 -14.438 -10.061 1.00 0.00 C ATOM 1620 CD GLN A 107 7.429 -14.489 -8.725 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.103 -13.557 -8.355 1.00 0.00 O ATOM 1622 NE2 GLN A 107 7.236 -15.535 -7.970 1.00 0.00 N ATOM 0 H GLN A 107 5.522 -13.416 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 107 4.816 -11.434 -9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.886 -13.027 -11.492 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.029 -12.322 -10.366 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.836 -15.114 -10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.350 -14.807 -10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.662 -16.308 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.659 -15.580 -7.043 1.00 0.00 H new ATOM 1631 N TYR A 108 2.700 -12.604 -10.165 1.00 0.00 N ATOM 1632 CA TYR A 108 1.481 -13.244 -10.603 1.00 0.00 C ATOM 1633 C TYR A 108 1.584 -13.452 -12.091 1.00 0.00 C ATOM 1634 O TYR A 108 2.244 -12.667 -12.778 1.00 0.00 O ATOM 1635 CB TYR A 108 0.241 -12.434 -10.223 1.00 0.00 C ATOM 1636 CG TYR A 108 0.313 -10.972 -10.563 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -0.095 -10.496 -11.785 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.807 -10.088 -9.655 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -0.002 -9.154 -12.093 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.903 -8.756 -9.924 1.00 0.00 C ATOM 1641 CZ TYR A 108 0.503 -8.278 -11.155 1.00 0.00 C ATOM 1642 OH TYR A 108 0.614 -6.928 -11.453 1.00 0.00 O ATOM 0 H TYR A 108 2.656 -11.585 -10.146 1.00 0.00 H new ATOM 0 HA TYR A 108 1.365 -14.204 -10.101 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.625 -12.867 -10.724 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.073 -12.535 -9.151 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.495 -11.183 -12.516 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.133 -10.453 -8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.322 -8.793 -13.059 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.290 -8.078 -9.178 1.00 0.00 H new ATOM 0 HH TYR A 108 1.413 -6.562 -11.020 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.090 -16.899 -11.285 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.766 -16.899 -9.837 1.00 0.00 C ATOM 1687 C ASN A 112 -4.439 -15.708 -9.186 1.00 0.00 C ATOM 1688 O ASN A 112 -4.413 -14.615 -9.741 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.238 -16.885 -9.553 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.911 -16.833 -8.073 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.838 -15.764 -7.483 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.690 -17.968 -7.472 1.00 0.00 N ATOM 0 HA ASN A 112 -4.141 -17.830 -9.412 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.785 -17.776 -9.989 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.790 -16.024 -10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.448 -17.982 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.759 -18.843 -7.992 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.020 -15.917 -8.007 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.816 -14.896 -7.275 1.00 0.00 C ATOM 1701 C GLN A 113 -5.100 -13.542 -7.207 1.00 0.00 C ATOM 1702 O GLN A 113 -5.734 -12.487 -7.276 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.072 -15.366 -5.844 1.00 0.00 C ATOM 1704 CG GLN A 113 -6.887 -14.411 -4.989 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.789 -14.730 -3.510 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -5.865 -14.107 -2.845 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -7.556 -15.516 -2.971 1.00 0.00 N flip ATOM 0 H GLN A 113 -4.959 -16.808 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.750 -14.772 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.586 -16.326 -5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.112 -15.537 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.544 -13.391 -5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.931 -14.452 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.272 -15.990 -3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.480 -15.698 -1.970 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.793 -13.576 -7.103 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.007 -12.384 -6.994 1.00 0.00 C ATOM 1718 C LEU A 114 -3.092 -11.560 -8.273 1.00 0.00 C ATOM 1719 O LEU A 114 -3.341 -10.361 -8.218 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.570 -12.776 -6.678 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.554 -11.666 -6.579 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.923 -10.686 -5.495 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.813 -12.248 -6.344 1.00 0.00 C ATOM 0 H LEU A 114 -3.248 -14.438 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.393 -11.759 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.569 -13.319 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.234 -13.473 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.543 -11.116 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.172 -9.897 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.896 -10.248 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.967 -11.203 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.544 -11.443 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.811 -12.819 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.076 -12.905 -7.173 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.970 -12.220 -9.410 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.062 -11.534 -10.663 1.00 0.00 C ATOM 1737 C GLY A 115 -4.446 -11.030 -10.898 1.00 0.00 C ATOM 1738 O GLY A 115 -4.622 -9.930 -11.394 1.00 0.00 O ATOM 0 H GLY A 115 -2.808 -13.225 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.360 -10.700 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.774 -12.206 -11.471 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.430 -11.835 -10.523 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.844 -11.510 -10.655 1.00 0.00 C ATOM 1744 C GLN A 116 -7.175 -10.261 -9.906 1.00 0.00 C ATOM 1745 O GLN A 116 -7.828 -9.347 -10.434 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.663 -12.599 -10.022 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.236 -13.976 -10.383 1.00 0.00 C ATOM 1748 CD GLN A 116 -7.257 -14.272 -11.846 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -6.283 -14.046 -12.568 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.324 -14.802 -12.286 1.00 0.00 N ATOM 0 H GLN A 116 -5.264 -12.753 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.058 -11.393 -11.717 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.616 -12.489 -8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.706 -12.467 -10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.226 -14.139 -10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.884 -14.688 -9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.107 -14.972 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.398 -15.058 -13.271 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.686 -10.189 -8.687 1.00 0.00 N ATOM 1760 CA VAL A 117 -7.011 -9.085 -7.850 1.00 0.00 C ATOM 1761 C VAL A 117 -6.249 -7.869 -8.252 1.00 0.00 C ATOM 1762 O VAL A 117 -6.822 -6.824 -8.369 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.913 -9.383 -6.346 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.801 -8.106 -5.531 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -8.153 -10.125 -5.944 1.00 0.00 C ATOM 0 H VAL A 117 -6.067 -10.883 -8.267 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.070 -8.882 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.018 -9.975 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.734 -8.355 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.908 -7.559 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.681 -7.486 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.112 -10.351 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.029 -9.510 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.221 -11.054 -6.510 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.963 -8.005 -8.497 1.00 0.00 N ATOM 1776 CA VAL A 118 -4.174 -6.875 -9.003 1.00 0.00 C ATOM 1777 C VAL A 118 -4.766 -6.348 -10.298 1.00 0.00 C ATOM 1778 O VAL A 118 -4.814 -5.153 -10.512 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.681 -7.221 -9.223 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.937 -6.039 -9.832 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -2.016 -7.597 -7.921 1.00 0.00 C ATOM 0 H VAL A 118 -4.437 -8.868 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 118 -4.218 -6.107 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.641 -8.069 -9.907 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.890 -6.304 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.384 -5.784 -10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.004 -5.182 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.968 -7.835 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.082 -6.762 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.517 -8.466 -7.494 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.296 -7.239 -11.108 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.950 -6.852 -12.372 1.00 0.00 C ATOM 1793 C ASP A 119 -7.179 -6.041 -12.037 1.00 0.00 C ATOM 1794 O ASP A 119 -7.400 -4.961 -12.579 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.376 -8.088 -13.176 1.00 0.00 C ATOM 1796 CG ASP A 119 -7.160 -7.749 -14.424 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.593 -7.138 -15.353 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.355 -8.093 -14.496 1.00 0.00 O ATOM 0 H ASP A 119 -5.295 -8.243 -10.927 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.247 -6.276 -12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.488 -8.655 -13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.980 -8.736 -12.541 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.912 -6.536 -11.063 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.127 -5.899 -10.569 1.00 0.00 C ATOM 1805 C TYR A 120 -8.796 -4.516 -10.000 1.00 0.00 C ATOM 1806 O TYR A 120 -9.376 -3.504 -10.383 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.828 -6.821 -9.525 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.642 -6.108 -8.474 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.822 -5.465 -8.773 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.187 -6.060 -7.169 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.519 -4.799 -7.802 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.866 -5.394 -6.203 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.036 -4.759 -6.520 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.714 -4.055 -5.558 1.00 0.00 O ATOM 0 H TYR A 120 -7.682 -7.405 -10.581 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.829 -5.753 -11.390 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.480 -7.513 -10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.067 -7.420 -9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.201 -5.486 -9.784 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.268 -6.566 -6.913 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.448 -4.306 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.487 -5.365 -5.192 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.512 -3.646 -5.953 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.802 -4.471 -9.194 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.410 -3.271 -8.509 1.00 0.00 C ATOM 1826 C VAL A 121 -6.792 -2.282 -9.491 1.00 0.00 C ATOM 1827 O VAL A 121 -6.911 -1.067 -9.331 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.423 -3.601 -7.359 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.923 -2.372 -6.671 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -7.058 -4.534 -6.357 1.00 0.00 C ATOM 0 H VAL A 121 -7.217 -5.279 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.296 -2.811 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.565 -4.096 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.236 -2.655 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.404 -1.738 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.765 -1.825 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.347 -4.751 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.945 -4.064 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.341 -5.462 -6.853 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.185 -2.798 -10.514 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.646 -1.980 -11.543 1.00 0.00 C ATOM 1842 C ARG A 122 -6.787 -1.337 -12.291 1.00 0.00 C ATOM 1843 O ARG A 122 -6.736 -0.178 -12.599 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.743 -2.796 -12.441 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.898 -1.981 -13.382 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.580 -2.696 -13.625 1.00 0.00 C ATOM 1847 NE ARG A 122 -2.726 -4.029 -14.231 1.00 0.00 N ATOM 1848 CZ ARG A 122 -1.899 -5.070 -13.975 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.953 -4.961 -13.041 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -2.034 -6.203 -14.637 1.00 0.00 N ATOM 0 H ARG A 122 -6.052 -3.799 -10.655 1.00 0.00 H new ATOM 0 HA ARG A 122 -5.026 -1.188 -11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.087 -3.405 -11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.356 -3.482 -13.025 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.424 -1.834 -14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.716 -0.992 -12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.958 -2.079 -14.274 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.052 -2.795 -12.677 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.496 -4.178 -14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.851 -4.092 -12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.332 -5.747 -12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.763 -6.297 -15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.409 -6.985 -14.442 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.867 -2.085 -12.471 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.090 -1.575 -13.095 1.00 0.00 C ATOM 1866 C LYS A 123 -9.804 -0.613 -12.176 1.00 0.00 C ATOM 1867 O LYS A 123 -10.650 0.178 -12.597 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.987 -2.742 -13.431 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.337 -3.603 -14.444 1.00 0.00 C ATOM 1870 CD LYS A 123 -10.226 -4.731 -14.935 1.00 0.00 C ATOM 1871 CE LYS A 123 -10.486 -5.752 -13.829 1.00 0.00 C ATOM 1872 NZ LYS A 123 -11.199 -6.954 -14.302 1.00 0.00 N ATOM 0 H LYS A 123 -7.924 -3.064 -12.190 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.830 -1.033 -14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.198 -3.320 -12.531 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.943 -2.380 -13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -9.038 -2.989 -15.294 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.426 -4.026 -14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.174 -4.323 -15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -9.755 -5.224 -15.785 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.535 -6.052 -13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.068 -5.280 -13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.853 -7.283 -13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.736 -6.723 -15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.511 -7.705 -14.514 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.471 -0.711 -10.923 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.995 0.222 -9.925 1.00 0.00 C ATOM 1888 C GLN A 124 -9.344 1.557 -10.066 1.00 0.00 C ATOM 1889 O GLN A 124 -10.012 2.591 -10.199 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.829 -0.235 -8.467 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.649 -1.431 -8.060 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.868 -1.604 -8.871 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.944 -1.082 -8.568 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.713 -2.367 -9.880 1.00 0.00 N ATOM 0 H GLN A 124 -8.840 -1.421 -10.551 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.065 0.270 -10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.777 -0.463 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.086 0.598 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.036 -2.328 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.929 -1.331 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.797 -2.769 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.505 -2.575 -10.488 1.00 0.00 H new ATOM 1903 N ALA A 125 -8.035 1.517 -10.040 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.215 2.686 -10.084 1.00 0.00 C ATOM 1905 C ALA A 125 -7.213 3.339 -11.456 1.00 0.00 C ATOM 1906 O ALA A 125 -7.193 4.569 -11.560 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.810 2.342 -9.622 1.00 0.00 C ATOM 0 H ALA A 125 -7.505 0.647 -9.986 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.638 3.424 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.187 3.235 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.845 1.964 -8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.388 1.580 -10.277 1.00 0.00 H new ATOM 1913 N SER A 126 -7.206 2.535 -12.496 1.00 0.00 N ATOM 1914 CA SER A 126 -7.260 3.059 -13.854 1.00 0.00 C ATOM 1915 C SER A 126 -8.646 3.650 -14.170 1.00 0.00 C ATOM 1916 O SER A 126 -9.560 2.898 -14.565 1.00 0.00 O ATOM 1917 CB SER A 126 -6.872 1.978 -14.869 1.00 0.00 C ATOM 1918 OG SER A 126 -5.562 1.482 -14.604 1.00 0.00 O ATOM 1919 OXT SER A 126 -8.826 4.888 -14.032 1.00 0.00 O ATOM 0 H SER A 126 -7.164 1.518 -12.434 1.00 0.00 H new ATOM 0 HA SER A 126 -6.535 3.869 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.591 1.160 -14.828 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.913 2.388 -15.878 1.00 0.00 H new ATOM 0 HG SER A 126 -5.603 0.817 -13.885 1.00 0.00 H new