USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1048 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 67 SER OG : rot 17:sc= 1 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.176 USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.542 USER MOD Set 2.2: A 97 THR OG1 : rot -107:sc= -0.149 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.334 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0272) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.935 K(o=-0.94,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.0234 (180deg=-0.236) USER MOD Single : A 33 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-12!) USER MOD Single : A 38 SER OG : rot -100:sc= -3.34! USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -63:sc= 0.332 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.224 USER MOD Single : A 77 SER OG : rot 51:sc= 1.09 USER MOD Single : A 79 TYR OH : rot -15:sc= -0.677 USER MOD Single : A 80 ASN : amide:sc= -1.85 X(o=-1.9,f=-2.3) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.00797 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.403 USER MOD Single : A 89 HIS : +bothHN:sc= -1.4! C(o=-1.4!,f=-9.5!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.22) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.22) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0921 X(o=-0.092,f=-0.092) USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN :FLIP amide:sc= -0.0884 F(o=-1.1,f=-0.088) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.1) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 6.125 -4.192 -8.811 1.00 13.00 N ATOM 2 CA GLY A 2 5.333 -4.215 -7.596 1.00 45.03 C ATOM 3 C GLY A 2 6.106 -4.754 -6.409 1.00 1.30 C ATOM 4 O GLY A 2 5.516 -5.184 -5.418 1.00 43.30 O ATOM 0 HA2 GLY A 2 4.987 -3.206 -7.372 1.00 45.03 H new ATOM 0 HA3 GLY A 2 4.446 -4.828 -7.756 1.00 45.03 H new ATOM 8 N ALA A 3 7.430 -4.732 -6.509 1.00 75.23 N ATOM 9 CA ALA A 3 8.286 -5.221 -5.434 1.00 24.44 C ATOM 10 C ALA A 3 8.945 -4.065 -4.688 1.00 63.44 C ATOM 11 O ALA A 3 8.673 -3.842 -3.508 1.00 54.14 O ATOM 12 CB ALA A 3 9.343 -6.164 -5.989 1.00 63.23 C ATOM 0 H ALA A 3 7.934 -4.381 -7.323 1.00 75.23 H new ATOM 0 HA ALA A 3 7.663 -5.767 -4.726 1.00 24.44 H new ATOM 0 HB1 ALA A 3 9.975 -6.521 -5.176 1.00 63.23 H new ATOM 0 HB2 ALA A 3 8.857 -7.012 -6.471 1.00 63.23 H new ATOM 0 HB3 ALA A 3 9.956 -5.635 -6.719 1.00 63.23 H new ATOM 18 N ARG A 4 9.812 -3.336 -5.383 1.00 60.31 N ATOM 19 CA ARG A 4 10.511 -2.205 -4.785 1.00 61.20 C ATOM 20 C ARG A 4 9.579 -1.007 -4.637 1.00 41.11 C ATOM 21 O ARG A 4 8.509 -0.961 -5.243 1.00 21.43 O ATOM 22 CB ARG A 4 11.724 -1.821 -5.634 1.00 65.11 C ATOM 23 CG ARG A 4 13.037 -1.850 -4.870 1.00 62.11 C ATOM 24 CD ARG A 4 13.806 -3.136 -5.133 1.00 1.41 C ATOM 25 NE ARG A 4 15.165 -3.079 -4.601 1.00 30.34 N ATOM 26 CZ ARG A 4 16.121 -3.936 -4.937 1.00 73.21 C ATOM 27 NH1 ARG A 4 15.870 -4.911 -5.801 1.00 12.32 N ATOM 28 NH2 ARG A 4 17.334 -3.820 -4.410 1.00 71.11 N ATOM 0 H ARG A 4 10.047 -3.508 -6.360 1.00 60.31 H new ATOM 0 HA ARG A 4 10.851 -2.503 -3.793 1.00 61.20 H new ATOM 0 HB2 ARG A 4 11.792 -2.501 -6.483 1.00 65.11 H new ATOM 0 HB3 ARG A 4 11.571 -0.821 -6.039 1.00 65.11 H new ATOM 0 HG2 ARG A 4 13.647 -0.994 -5.160 1.00 62.11 H new ATOM 0 HG3 ARG A 4 12.840 -1.754 -3.802 1.00 62.11 H new ATOM 0 HD2 ARG A 4 13.275 -3.975 -4.682 1.00 1.41 H new ATOM 0 HD3 ARG A 4 13.844 -3.323 -6.206 1.00 1.41 H new ATOM 0 HE ARG A 4 15.392 -2.340 -3.935 1.00 30.34 H new ATOM 0 HH11 ARG A 4 14.940 -5.004 -6.209 1.00 12.32 H new ATOM 0 HH12 ARG A 4 16.607 -5.568 -6.057 1.00 12.32 H new ATOM 0 HH21 ARG A 4 17.532 -3.072 -3.746 1.00 71.11 H new ATOM 0 HH22 ARG A 4 18.068 -4.479 -4.669 1.00 71.11 H new ATOM 42 N ALA A 5 9.993 -0.038 -3.827 1.00 61.15 N ATOM 43 CA ALA A 5 9.196 1.162 -3.601 1.00 55.03 C ATOM 44 C ALA A 5 9.964 2.415 -4.007 1.00 52.14 C ATOM 45 O ALA A 5 10.782 2.928 -3.244 1.00 54.00 O ATOM 46 CB ALA A 5 8.775 1.248 -2.141 1.00 3.25 C ATOM 0 H ALA A 5 10.876 -0.060 -3.316 1.00 61.15 H new ATOM 0 HA ALA A 5 8.303 1.098 -4.222 1.00 55.03 H new ATOM 0 HB1 ALA A 5 8.181 2.148 -1.986 1.00 3.25 H new ATOM 0 HB2 ALA A 5 8.181 0.372 -1.881 1.00 3.25 H new ATOM 0 HB3 ALA A 5 9.662 1.285 -1.508 1.00 3.25 H new ATOM 52 N SER A 6 9.694 2.904 -5.213 1.00 35.51 N ATOM 53 CA SER A 6 10.364 4.095 -5.723 1.00 32.20 C ATOM 54 C SER A 6 9.828 4.472 -7.101 1.00 45.25 C ATOM 55 O SER A 6 10.189 3.863 -8.107 1.00 0.34 O ATOM 56 CB SER A 6 11.874 3.865 -5.796 1.00 14.31 C ATOM 57 OG SER A 6 12.169 2.536 -6.189 1.00 71.20 O ATOM 0 H SER A 6 9.016 2.494 -5.855 1.00 35.51 H new ATOM 0 HA SER A 6 10.162 4.917 -5.036 1.00 32.20 H new ATOM 0 HB2 SER A 6 12.318 4.564 -6.505 1.00 14.31 H new ATOM 0 HB3 SER A 6 12.323 4.068 -4.824 1.00 14.31 H new ATOM 0 HG SER A 6 13.141 2.415 -6.230 1.00 71.20 H new ATOM 63 N VAL A 7 8.963 5.481 -7.136 1.00 23.12 N ATOM 64 CA VAL A 7 8.377 5.941 -8.389 1.00 64.12 C ATOM 65 C VAL A 7 9.058 7.214 -8.879 1.00 34.34 C ATOM 66 O VAL A 7 9.637 7.242 -9.966 1.00 33.34 O ATOM 67 CB VAL A 7 6.867 6.206 -8.239 1.00 63.43 C ATOM 68 CG1 VAL A 7 6.266 6.642 -9.566 1.00 22.24 C ATOM 69 CG2 VAL A 7 6.160 4.969 -7.704 1.00 0.35 C ATOM 0 H VAL A 7 8.653 5.995 -6.311 1.00 23.12 H new ATOM 0 HA VAL A 7 8.528 5.146 -9.119 1.00 64.12 H new ATOM 0 HB VAL A 7 6.727 7.015 -7.522 1.00 63.43 H new ATOM 0 HG11 VAL A 7 5.199 6.824 -9.440 1.00 22.24 H new ATOM 0 HG12 VAL A 7 6.753 7.557 -9.903 1.00 22.24 H new ATOM 0 HG13 VAL A 7 6.415 5.857 -10.308 1.00 22.24 H new ATOM 0 HG21 VAL A 7 5.094 5.174 -7.604 1.00 0.35 H new ATOM 0 HG22 VAL A 7 6.307 4.139 -8.395 1.00 0.35 H new ATOM 0 HG23 VAL A 7 6.572 4.707 -6.729 1.00 0.35 H new ATOM 79 N LEU A 8 8.986 8.266 -8.072 1.00 65.11 N ATOM 80 CA LEU A 8 9.596 9.544 -8.423 1.00 22.31 C ATOM 81 C LEU A 8 10.987 9.670 -7.809 1.00 30.43 C ATOM 82 O LEU A 8 11.243 9.159 -6.719 1.00 14.35 O ATOM 83 CB LEU A 8 8.712 10.700 -7.953 1.00 60.00 C ATOM 84 CG LEU A 8 7.246 10.642 -8.383 1.00 62.21 C ATOM 85 CD1 LEU A 8 6.443 11.732 -7.691 1.00 55.23 C ATOM 86 CD2 LEU A 8 7.128 10.770 -9.895 1.00 75.41 C ATOM 0 H LEU A 8 8.511 8.260 -7.169 1.00 65.11 H new ATOM 0 HA LEU A 8 9.692 9.587 -9.508 1.00 22.31 H new ATOM 0 HB2 LEU A 8 8.749 10.740 -6.864 1.00 60.00 H new ATOM 0 HB3 LEU A 8 9.141 11.632 -8.321 1.00 60.00 H new ATOM 0 HG LEU A 8 6.839 9.675 -8.087 1.00 62.21 H new ATOM 0 HD11 LEU A 8 5.402 11.675 -8.009 1.00 55.23 H new ATOM 0 HD12 LEU A 8 6.500 11.596 -6.611 1.00 55.23 H new ATOM 0 HD13 LEU A 8 6.850 12.708 -7.956 1.00 55.23 H new ATOM 0 HD21 LEU A 8 6.078 10.727 -10.183 1.00 75.41 H new ATOM 0 HD22 LEU A 8 7.553 11.722 -10.214 1.00 75.41 H new ATOM 0 HD23 LEU A 8 7.669 9.953 -10.373 1.00 75.41 H new ATOM 98 N SER A 9 11.881 10.354 -8.517 1.00 22.31 N ATOM 99 CA SER A 9 13.246 10.545 -8.042 1.00 15.32 C ATOM 100 C SER A 9 13.326 11.727 -7.081 1.00 43.31 C ATOM 101 O SER A 9 12.331 12.403 -6.826 1.00 5.22 O ATOM 102 CB SER A 9 14.192 10.770 -9.224 1.00 61.34 C ATOM 103 OG SER A 9 14.414 12.151 -9.444 1.00 44.31 O ATOM 0 H SER A 9 11.684 10.784 -9.421 1.00 22.31 H new ATOM 0 HA SER A 9 13.549 9.644 -7.509 1.00 15.32 H new ATOM 0 HB2 SER A 9 15.142 10.272 -9.033 1.00 61.34 H new ATOM 0 HB3 SER A 9 13.770 10.319 -10.122 1.00 61.34 H new ATOM 0 HG SER A 9 15.023 12.268 -10.203 1.00 44.31 H new ATOM 109 N GLY A 10 14.521 11.970 -6.549 1.00 22.02 N ATOM 110 CA GLY A 10 14.710 13.070 -5.622 1.00 63.14 C ATOM 111 C GLY A 10 14.217 14.390 -6.179 1.00 4.13 C ATOM 112 O GLY A 10 13.518 15.138 -5.496 1.00 55.21 O ATOM 0 H GLY A 10 15.361 11.425 -6.744 1.00 22.02 H new ATOM 0 HA2 GLY A 10 14.183 12.852 -4.693 1.00 63.14 H new ATOM 0 HA3 GLY A 10 15.768 13.156 -5.376 1.00 63.14 H new ATOM 116 N GLY A 11 14.582 14.678 -7.424 1.00 2.53 N ATOM 117 CA GLY A 11 14.164 15.918 -8.052 1.00 54.00 C ATOM 118 C GLY A 11 12.685 15.931 -8.384 1.00 14.12 C ATOM 119 O GLY A 11 11.993 16.914 -8.123 1.00 32.11 O ATOM 0 H GLY A 11 15.160 14.075 -8.009 1.00 2.53 H new ATOM 0 HA2 GLY A 11 14.391 16.752 -7.388 1.00 54.00 H new ATOM 0 HA3 GLY A 11 14.739 16.071 -8.965 1.00 54.00 H new ATOM 123 N GLU A 12 12.201 14.836 -8.962 1.00 31.03 N ATOM 124 CA GLU A 12 10.794 14.727 -9.332 1.00 14.12 C ATOM 125 C GLU A 12 9.899 14.822 -8.100 1.00 25.24 C ATOM 126 O GLU A 12 8.811 15.398 -8.153 1.00 54.50 O ATOM 127 CB GLU A 12 10.538 13.408 -10.063 1.00 1.43 C ATOM 128 CG GLU A 12 11.566 13.096 -11.137 1.00 32.14 C ATOM 129 CD GLU A 12 11.218 11.857 -11.938 1.00 60.21 C ATOM 130 OE1 GLU A 12 11.181 10.759 -11.344 1.00 34.30 O ATOM 131 OE2 GLU A 12 10.981 11.985 -13.157 1.00 72.33 O ATOM 0 H GLU A 12 12.761 14.013 -9.184 1.00 31.03 H new ATOM 0 HA GLU A 12 10.554 15.556 -9.998 1.00 14.12 H new ATOM 0 HB2 GLU A 12 10.527 12.596 -9.336 1.00 1.43 H new ATOM 0 HB3 GLU A 12 9.548 13.441 -10.518 1.00 1.43 H new ATOM 0 HG2 GLU A 12 11.650 13.948 -11.812 1.00 32.14 H new ATOM 0 HG3 GLU A 12 12.542 12.960 -10.671 1.00 32.14 H new ATOM 138 N LEU A 13 10.362 14.251 -6.995 1.00 63.14 N ATOM 139 CA LEU A 13 9.604 14.269 -5.749 1.00 43.44 C ATOM 140 C LEU A 13 9.213 15.694 -5.370 1.00 3.51 C ATOM 141 O LEU A 13 8.054 15.969 -5.060 1.00 1.24 O ATOM 142 CB LEU A 13 10.421 13.636 -4.621 1.00 1.41 C ATOM 143 CG LEU A 13 9.661 13.329 -3.331 1.00 4.10 C ATOM 144 CD1 LEU A 13 8.613 12.254 -3.573 1.00 43.12 C ATOM 145 CD2 LEU A 13 10.622 12.901 -2.233 1.00 34.22 C ATOM 0 H LEU A 13 11.259 13.769 -6.936 1.00 63.14 H new ATOM 0 HA LEU A 13 8.693 13.689 -5.899 1.00 43.44 H new ATOM 0 HB2 LEU A 13 10.856 12.708 -4.992 1.00 1.41 H new ATOM 0 HB3 LEU A 13 11.249 14.303 -4.381 1.00 1.41 H new ATOM 0 HG LEU A 13 9.153 14.237 -3.007 1.00 4.10 H new ATOM 0 HD11 LEU A 13 8.082 12.048 -2.644 1.00 43.12 H new ATOM 0 HD12 LEU A 13 7.905 12.599 -4.327 1.00 43.12 H new ATOM 0 HD13 LEU A 13 9.100 11.343 -3.922 1.00 43.12 H new ATOM 0 HD21 LEU A 13 10.062 12.687 -1.323 1.00 34.22 H new ATOM 0 HD22 LEU A 13 11.159 12.006 -2.548 1.00 34.22 H new ATOM 0 HD23 LEU A 13 11.335 13.703 -2.040 1.00 34.22 H new ATOM 157 N ASP A 14 10.187 16.597 -5.400 1.00 60.02 N ATOM 158 CA ASP A 14 9.945 17.996 -5.063 1.00 32.44 C ATOM 159 C ASP A 14 8.748 18.541 -5.837 1.00 74.12 C ATOM 160 O ASP A 14 7.830 19.118 -5.255 1.00 51.14 O ATOM 161 CB ASP A 14 11.187 18.837 -5.360 1.00 34.13 C ATOM 162 CG ASP A 14 12.142 18.893 -4.185 1.00 12.30 C ATOM 163 OD1 ASP A 14 12.214 17.902 -3.430 1.00 23.41 O ATOM 164 OD2 ASP A 14 12.818 19.931 -4.020 1.00 72.24 O ATOM 0 H ASP A 14 11.152 16.386 -5.654 1.00 60.02 H new ATOM 0 HA ASP A 14 9.724 18.055 -3.997 1.00 32.44 H new ATOM 0 HB2 ASP A 14 11.704 18.423 -6.225 1.00 34.13 H new ATOM 0 HB3 ASP A 14 10.882 19.849 -5.625 1.00 34.13 H new ATOM 169 N LYS A 15 8.767 18.355 -7.153 1.00 41.44 N ATOM 170 CA LYS A 15 7.685 18.828 -8.007 1.00 25.13 C ATOM 171 C LYS A 15 6.354 18.204 -7.597 1.00 10.20 C ATOM 172 O LYS A 15 5.366 18.907 -7.389 1.00 10.25 O ATOM 173 CB LYS A 15 7.984 18.500 -9.471 1.00 4.24 C ATOM 174 CG LYS A 15 8.493 19.689 -10.270 1.00 62.25 C ATOM 175 CD LYS A 15 9.351 19.245 -11.442 1.00 13.33 C ATOM 176 CE LYS A 15 10.573 20.135 -11.606 1.00 55.31 C ATOM 177 NZ LYS A 15 11.839 19.391 -11.356 1.00 54.33 N ATOM 0 H LYS A 15 9.520 17.880 -7.651 1.00 41.44 H new ATOM 0 HA LYS A 15 7.610 19.909 -7.890 1.00 25.13 H new ATOM 0 HB2 LYS A 15 8.725 17.702 -9.512 1.00 4.24 H new ATOM 0 HB3 LYS A 15 7.078 18.118 -9.941 1.00 4.24 H new ATOM 0 HG2 LYS A 15 7.648 20.271 -10.636 1.00 62.25 H new ATOM 0 HG3 LYS A 15 9.073 20.344 -9.620 1.00 62.25 H new ATOM 0 HD2 LYS A 15 9.669 18.213 -11.292 1.00 13.33 H new ATOM 0 HD3 LYS A 15 8.759 19.266 -12.357 1.00 13.33 H new ATOM 0 HE2 LYS A 15 10.588 20.549 -12.614 1.00 55.31 H new ATOM 0 HE3 LYS A 15 10.504 20.977 -10.917 1.00 55.31 H new ATOM 0 HZ1 LYS A 15 12.648 20.032 -11.478 1.00 54.33 H new ATOM 0 HZ2 LYS A 15 11.836 19.017 -10.385 1.00 54.33 H new ATOM 0 HZ3 LYS A 15 11.917 18.603 -12.030 1.00 54.33 H new ATOM 191 N TRP A 16 6.339 16.881 -7.481 1.00 43.44 N ATOM 192 CA TRP A 16 5.129 16.163 -7.093 1.00 54.22 C ATOM 193 C TRP A 16 4.499 16.788 -5.854 1.00 43.01 C ATOM 194 O TRP A 16 3.350 17.230 -5.888 1.00 55.22 O ATOM 195 CB TRP A 16 5.448 14.690 -6.830 1.00 52.23 C ATOM 196 CG TRP A 16 4.241 13.874 -6.481 1.00 23.13 C ATOM 197 CD1 TRP A 16 3.920 13.368 -5.254 1.00 10.12 C ATOM 198 CD2 TRP A 16 3.196 13.467 -7.372 1.00 41.35 C ATOM 199 NE1 TRP A 16 2.738 12.672 -5.327 1.00 43.02 N ATOM 200 CE2 TRP A 16 2.272 12.719 -6.614 1.00 34.25 C ATOM 201 CE3 TRP A 16 2.948 13.664 -8.732 1.00 32.43 C ATOM 202 CZ2 TRP A 16 1.125 12.167 -7.176 1.00 43.01 C ATOM 203 CZ3 TRP A 16 1.808 13.116 -9.288 1.00 32.34 C ATOM 204 CH2 TRP A 16 0.907 12.376 -8.512 1.00 62.53 C ATOM 0 H TRP A 16 7.149 16.284 -7.650 1.00 43.44 H new ATOM 0 HA TRP A 16 4.416 16.232 -7.914 1.00 54.22 H new ATOM 0 HB2 TRP A 16 5.922 14.265 -7.715 1.00 52.23 H new ATOM 0 HB3 TRP A 16 6.171 14.622 -6.017 1.00 52.23 H new ATOM 0 HD1 TRP A 16 4.509 13.496 -4.358 1.00 10.12 H new ATOM 0 HE1 TRP A 16 2.281 12.197 -4.549 1.00 43.02 H new ATOM 0 HE3 TRP A 16 3.635 14.235 -9.339 1.00 32.43 H new ATOM 0 HZ2 TRP A 16 0.431 11.594 -6.580 1.00 43.01 H new ATOM 0 HZ3 TRP A 16 1.608 13.261 -10.339 1.00 32.34 H new ATOM 0 HH2 TRP A 16 0.024 11.962 -8.976 1.00 62.53 H new ATOM 215 N GLU A 17 5.256 16.822 -4.762 1.00 71.42 N ATOM 216 CA GLU A 17 4.768 17.393 -3.511 1.00 31.15 C ATOM 217 C GLU A 17 4.331 18.841 -3.710 1.00 42.12 C ATOM 218 O GLU A 17 3.547 19.378 -2.926 1.00 32.42 O ATOM 219 CB GLU A 17 5.852 17.319 -2.434 1.00 23.20 C ATOM 220 CG GLU A 17 6.119 15.909 -1.936 1.00 61.21 C ATOM 221 CD GLU A 17 6.933 15.887 -0.656 1.00 11.10 C ATOM 222 OE1 GLU A 17 7.230 16.977 -0.125 1.00 54.30 O ATOM 223 OE2 GLU A 17 7.271 14.780 -0.186 1.00 50.20 O ATOM 0 H GLU A 17 6.209 16.461 -4.718 1.00 71.42 H new ATOM 0 HA GLU A 17 3.905 16.812 -3.187 1.00 31.15 H new ATOM 0 HB2 GLU A 17 6.777 17.736 -2.832 1.00 23.20 H new ATOM 0 HB3 GLU A 17 5.558 17.944 -1.591 1.00 23.20 H new ATOM 0 HG2 GLU A 17 5.169 15.401 -1.767 1.00 61.21 H new ATOM 0 HG3 GLU A 17 6.647 15.349 -2.708 1.00 61.21 H new ATOM 230 N LYS A 18 4.843 19.469 -4.762 1.00 14.23 N ATOM 231 CA LYS A 18 4.506 20.855 -5.067 1.00 40.44 C ATOM 232 C LYS A 18 3.076 20.966 -5.586 1.00 41.21 C ATOM 233 O LYS A 18 2.192 21.471 -4.894 1.00 64.54 O ATOM 234 CB LYS A 18 5.481 21.423 -6.099 1.00 1.52 C ATOM 235 CG LYS A 18 5.659 22.929 -6.004 1.00 52.34 C ATOM 236 CD LYS A 18 7.126 23.311 -5.891 1.00 22.23 C ATOM 237 CE LYS A 18 7.295 24.721 -5.348 1.00 3.35 C ATOM 238 NZ LYS A 18 7.054 24.784 -3.881 1.00 14.21 N ATOM 0 H LYS A 18 5.494 19.040 -5.419 1.00 14.23 H new ATOM 0 HA LYS A 18 4.585 21.433 -4.146 1.00 40.44 H new ATOM 0 HB2 LYS A 18 6.451 20.942 -5.973 1.00 1.52 H new ATOM 0 HB3 LYS A 18 5.127 21.170 -7.098 1.00 1.52 H new ATOM 0 HG2 LYS A 18 5.225 23.404 -6.884 1.00 52.34 H new ATOM 0 HG3 LYS A 18 5.116 23.307 -5.138 1.00 52.34 H new ATOM 0 HD2 LYS A 18 7.638 22.605 -5.237 1.00 22.23 H new ATOM 0 HD3 LYS A 18 7.598 23.238 -6.871 1.00 22.23 H new ATOM 0 HE2 LYS A 18 8.303 25.075 -5.566 1.00 3.35 H new ATOM 0 HE3 LYS A 18 6.604 25.392 -5.858 1.00 3.35 H new ATOM 0 HZ1 LYS A 18 7.326 25.723 -3.525 1.00 14.21 H new ATOM 0 HZ2 LYS A 18 6.046 24.619 -3.687 1.00 14.21 H new ATOM 0 HZ3 LYS A 18 7.622 24.055 -3.404 1.00 14.21 H new ATOM 252 N ILE A 19 2.857 20.491 -6.808 1.00 52.54 N ATOM 253 CA ILE A 19 1.534 20.536 -7.417 1.00 33.30 C ATOM 254 C ILE A 19 0.453 20.143 -6.416 1.00 74.40 C ATOM 255 O ILE A 19 0.666 19.278 -5.566 1.00 64.14 O ATOM 256 CB ILE A 19 1.447 19.605 -8.641 1.00 22.12 C ATOM 257 CG1 ILE A 19 2.494 19.999 -9.685 1.00 0.31 C ATOM 258 CG2 ILE A 19 0.049 19.648 -9.242 1.00 51.14 C ATOM 259 CD1 ILE A 19 2.956 18.843 -10.543 1.00 33.54 C ATOM 0 H ILE A 19 3.578 20.071 -7.395 1.00 52.54 H new ATOM 0 HA ILE A 19 1.370 21.564 -7.739 1.00 33.30 H new ATOM 0 HB ILE A 19 1.651 18.584 -8.317 1.00 22.12 H new ATOM 0 HG12 ILE A 19 2.080 20.775 -10.328 1.00 0.31 H new ATOM 0 HG13 ILE A 19 3.356 20.432 -9.178 1.00 0.31 H new ATOM 0 HG21 ILE A 19 0.004 18.985 -10.106 1.00 51.14 H new ATOM 0 HG22 ILE A 19 -0.677 19.323 -8.497 1.00 51.14 H new ATOM 0 HG23 ILE A 19 -0.182 20.667 -9.554 1.00 51.14 H new ATOM 0 HD11 ILE A 19 3.697 19.196 -11.260 1.00 33.54 H new ATOM 0 HD12 ILE A 19 3.400 18.075 -9.910 1.00 33.54 H new ATOM 0 HD13 ILE A 19 2.104 18.424 -11.078 1.00 33.54 H new ATOM 271 N ARG A 20 -0.706 20.782 -6.523 1.00 2.33 N ATOM 272 CA ARG A 20 -1.821 20.500 -5.628 1.00 64.10 C ATOM 273 C ARG A 20 -2.915 19.720 -6.351 1.00 44.51 C ATOM 274 O ARG A 20 -2.910 19.615 -7.578 1.00 44.23 O ATOM 275 CB ARG A 20 -2.395 21.802 -5.066 1.00 51.34 C ATOM 276 CG ARG A 20 -1.411 22.579 -4.206 1.00 71.03 C ATOM 277 CD ARG A 20 -2.126 23.385 -3.132 1.00 72.54 C ATOM 278 NE ARG A 20 -1.265 24.415 -2.557 1.00 64.35 N ATOM 279 CZ ARG A 20 -1.029 25.585 -3.139 1.00 71.24 C ATOM 280 NH1 ARG A 20 -1.587 25.872 -4.307 1.00 14.22 N ATOM 281 NH2 ARG A 20 -0.234 26.471 -2.553 1.00 62.55 N ATOM 0 H ARG A 20 -0.898 21.500 -7.222 1.00 2.33 H new ATOM 0 HA ARG A 20 -1.447 19.891 -4.805 1.00 64.10 H new ATOM 0 HB2 ARG A 20 -2.719 22.433 -5.893 1.00 51.34 H new ATOM 0 HB3 ARG A 20 -3.281 21.573 -4.473 1.00 51.34 H new ATOM 0 HG2 ARG A 20 -0.710 21.888 -3.738 1.00 71.03 H new ATOM 0 HG3 ARG A 20 -0.825 23.249 -4.836 1.00 71.03 H new ATOM 0 HD2 ARG A 20 -3.014 23.852 -3.559 1.00 72.54 H new ATOM 0 HD3 ARG A 20 -2.467 22.715 -2.343 1.00 72.54 H new ATOM 0 HE ARG A 20 -0.820 24.225 -1.659 1.00 64.35 H new ATOM 0 HH11 ARG A 20 -2.199 25.193 -4.760 1.00 14.22 H new ATOM 0 HH12 ARG A 20 -1.404 26.771 -4.752 1.00 14.22 H new ATOM 0 HH21 ARG A 20 0.197 26.254 -1.654 1.00 62.55 H new ATOM 0 HH22 ARG A 20 -0.054 27.369 -3.001 1.00 62.55 H new ATOM 295 N LEU A 21 -3.852 19.174 -5.583 1.00 74.34 N ATOM 296 CA LEU A 21 -4.952 18.402 -6.149 1.00 5.30 C ATOM 297 C LEU A 21 -6.011 19.323 -6.747 1.00 43.40 C ATOM 298 O LEU A 21 -6.509 19.082 -7.847 1.00 72.13 O ATOM 299 CB LEU A 21 -5.582 17.511 -5.077 1.00 11.24 C ATOM 300 CG LEU A 21 -4.635 16.539 -4.372 1.00 15.22 C ATOM 301 CD1 LEU A 21 -5.131 16.235 -2.967 1.00 63.31 C ATOM 302 CD2 LEU A 21 -4.489 15.257 -5.178 1.00 12.22 C ATOM 0 H LEU A 21 -3.871 19.252 -4.566 1.00 74.34 H new ATOM 0 HA LEU A 21 -4.551 17.774 -6.944 1.00 5.30 H new ATOM 0 HB2 LEU A 21 -6.040 18.152 -4.324 1.00 11.24 H new ATOM 0 HB3 LEU A 21 -6.385 16.935 -5.537 1.00 11.24 H new ATOM 0 HG LEU A 21 -3.654 17.009 -4.295 1.00 15.22 H new ATOM 0 HD11 LEU A 21 -4.445 15.542 -2.481 1.00 63.31 H new ATOM 0 HD12 LEU A 21 -5.182 17.159 -2.391 1.00 63.31 H new ATOM 0 HD13 LEU A 21 -6.123 15.786 -3.020 1.00 63.31 H new ATOM 0 HD21 LEU A 21 -3.812 14.577 -4.661 1.00 12.22 H new ATOM 0 HD22 LEU A 21 -5.464 14.783 -5.288 1.00 12.22 H new ATOM 0 HD23 LEU A 21 -4.086 15.491 -6.164 1.00 12.22 H new ATOM 314 N ARG A 22 -6.349 20.381 -6.015 1.00 24.24 N ATOM 315 CA ARG A 22 -7.349 21.338 -6.474 1.00 61.34 C ATOM 316 C ARG A 22 -6.704 22.684 -6.796 1.00 25.33 C ATOM 317 O ARG A 22 -5.646 23.033 -6.274 1.00 10.13 O ATOM 318 CB ARG A 22 -8.434 21.522 -5.412 1.00 23.12 C ATOM 319 CG ARG A 22 -9.752 20.851 -5.765 1.00 43.10 C ATOM 320 CD ARG A 22 -10.274 20.008 -4.612 1.00 21.34 C ATOM 321 NE ARG A 22 -11.701 19.728 -4.743 1.00 44.20 N ATOM 322 CZ ARG A 22 -12.336 18.802 -4.033 1.00 42.14 C ATOM 323 NH1 ARG A 22 -11.674 18.071 -3.147 1.00 53.34 N ATOM 324 NH2 ARG A 22 -13.638 18.606 -4.207 1.00 14.13 N ATOM 0 H ARG A 22 -5.945 20.596 -5.103 1.00 24.24 H new ATOM 0 HA ARG A 22 -7.803 20.944 -7.383 1.00 61.34 H new ATOM 0 HB2 ARG A 22 -8.074 21.121 -4.464 1.00 23.12 H new ATOM 0 HB3 ARG A 22 -8.607 22.588 -5.262 1.00 23.12 H new ATOM 0 HG2 ARG A 22 -10.490 21.610 -6.025 1.00 43.10 H new ATOM 0 HG3 ARG A 22 -9.617 20.222 -6.645 1.00 43.10 H new ATOM 0 HD2 ARG A 22 -9.722 19.069 -4.570 1.00 21.34 H new ATOM 0 HD3 ARG A 22 -10.091 20.527 -3.671 1.00 21.34 H new ATOM 0 HE ARG A 22 -12.240 20.273 -5.416 1.00 44.20 H new ATOM 0 HH11 ARG A 22 -10.674 18.219 -3.009 1.00 53.34 H new ATOM 0 HH12 ARG A 22 -12.164 17.361 -2.603 1.00 53.34 H new ATOM 0 HH21 ARG A 22 -14.152 19.167 -4.887 1.00 14.13 H new ATOM 0 HH22 ARG A 22 -14.124 17.895 -3.661 1.00 14.13 H new ATOM 338 N PRO A 23 -7.357 23.457 -7.677 1.00 30.53 N ATOM 339 CA PRO A 23 -6.866 24.774 -8.089 1.00 45.30 C ATOM 340 C PRO A 23 -6.960 25.804 -6.968 1.00 61.15 C ATOM 341 O PRO A 23 -6.029 26.575 -6.741 1.00 11.30 O ATOM 342 CB PRO A 23 -7.797 25.155 -9.244 1.00 75.24 C ATOM 343 CG PRO A 23 -9.050 24.390 -8.987 1.00 2.13 C ATOM 344 CD PRO A 23 -8.624 23.102 -8.339 1.00 55.20 C ATOM 0 HA PRO A 23 -5.812 24.748 -8.364 1.00 45.30 H new ATOM 0 HB2 PRO A 23 -7.985 26.228 -9.263 1.00 75.24 H new ATOM 0 HB3 PRO A 23 -7.362 24.890 -10.208 1.00 75.24 H new ATOM 0 HG2 PRO A 23 -9.723 24.950 -8.337 1.00 2.13 H new ATOM 0 HG3 PRO A 23 -9.589 24.200 -9.915 1.00 2.13 H new ATOM 0 HD2 PRO A 23 -9.366 22.747 -7.623 1.00 55.20 H new ATOM 0 HD3 PRO A 23 -8.485 22.309 -9.074 1.00 55.20 H new ATOM 352 N GLY A 24 -8.091 25.810 -6.270 1.00 51.24 N ATOM 353 CA GLY A 24 -8.285 26.750 -5.180 1.00 63.51 C ATOM 354 C GLY A 24 -8.253 26.077 -3.822 1.00 50.22 C ATOM 355 O GLY A 24 -9.041 26.410 -2.938 1.00 74.51 O ATOM 0 H GLY A 24 -8.876 25.182 -6.439 1.00 51.24 H new ATOM 0 HA2 GLY A 24 -7.510 27.515 -5.221 1.00 63.51 H new ATOM 0 HA3 GLY A 24 -9.241 27.258 -5.308 1.00 63.51 H new ATOM 359 N GLY A 25 -7.339 25.125 -3.656 1.00 45.43 N ATOM 360 CA GLY A 25 -7.226 24.418 -2.394 1.00 34.41 C ATOM 361 C GLY A 25 -5.930 24.725 -1.671 1.00 41.54 C ATOM 362 O GLY A 25 -5.178 25.612 -2.078 1.00 54.34 O ATOM 0 H GLY A 25 -6.675 24.831 -4.373 1.00 45.43 H new ATOM 0 HA2 GLY A 25 -8.067 24.686 -1.755 1.00 34.41 H new ATOM 0 HA3 GLY A 25 -7.292 23.345 -2.575 1.00 34.41 H new ATOM 366 N LYS A 26 -5.666 23.993 -0.594 1.00 22.04 N ATOM 367 CA LYS A 26 -4.453 24.191 0.189 1.00 55.50 C ATOM 368 C LYS A 26 -3.716 22.871 0.395 1.00 51.14 C ATOM 369 O LYS A 26 -2.703 22.816 1.092 1.00 42.10 O ATOM 370 CB LYS A 26 -4.792 24.816 1.544 1.00 34.52 C ATOM 371 CG LYS A 26 -5.066 26.309 1.475 1.00 72.43 C ATOM 372 CD LYS A 26 -4.573 27.024 2.721 1.00 61.24 C ATOM 373 CE LYS A 26 -4.972 28.492 2.715 1.00 63.34 C ATOM 374 NZ LYS A 26 -6.214 28.733 3.502 1.00 22.52 N ATOM 0 H LYS A 26 -6.278 23.256 -0.243 1.00 22.04 H new ATOM 0 HA LYS A 26 -3.801 24.868 -0.363 1.00 55.50 H new ATOM 0 HB2 LYS A 26 -5.666 24.314 1.958 1.00 34.52 H new ATOM 0 HB3 LYS A 26 -3.966 24.638 2.233 1.00 34.52 H new ATOM 0 HG2 LYS A 26 -4.578 26.729 0.596 1.00 72.43 H new ATOM 0 HG3 LYS A 26 -6.136 26.478 1.357 1.00 72.43 H new ATOM 0 HD2 LYS A 26 -4.982 26.538 3.607 1.00 61.24 H new ATOM 0 HD3 LYS A 26 -3.488 26.941 2.784 1.00 61.24 H new ATOM 0 HE2 LYS A 26 -4.159 29.091 3.126 1.00 63.34 H new ATOM 0 HE3 LYS A 26 -5.123 28.823 1.688 1.00 63.34 H new ATOM 0 HZ1 LYS A 26 -6.452 29.745 3.473 1.00 22.52 H new ATOM 0 HZ2 LYS A 26 -6.996 28.181 3.094 1.00 22.52 H new ATOM 0 HZ3 LYS A 26 -6.062 28.441 4.489 1.00 22.52 H new ATOM 388 N LYS A 27 -4.231 21.811 -0.217 1.00 73.32 N ATOM 389 CA LYS A 27 -3.622 20.491 -0.104 1.00 74.14 C ATOM 390 C LYS A 27 -2.725 20.200 -1.303 1.00 50.44 C ATOM 391 O LYS A 27 -3.080 20.503 -2.441 1.00 14.43 O ATOM 392 CB LYS A 27 -4.704 19.415 0.010 1.00 30.34 C ATOM 393 CG LYS A 27 -5.311 19.306 1.397 1.00 44.45 C ATOM 394 CD LYS A 27 -6.569 18.454 1.391 1.00 62.41 C ATOM 395 CE LYS A 27 -6.293 17.050 1.904 1.00 72.51 C ATOM 396 NZ LYS A 27 -7.548 16.271 2.094 1.00 41.22 N ATOM 0 H LYS A 27 -5.070 21.840 -0.797 1.00 73.32 H new ATOM 0 HA LYS A 27 -3.009 20.478 0.797 1.00 74.14 H new ATOM 0 HB2 LYS A 27 -5.496 19.631 -0.708 1.00 30.34 H new ATOM 0 HB3 LYS A 27 -4.276 18.451 -0.267 1.00 30.34 H new ATOM 0 HG2 LYS A 27 -4.581 18.874 2.081 1.00 44.45 H new ATOM 0 HG3 LYS A 27 -5.547 20.302 1.771 1.00 44.45 H new ATOM 0 HD2 LYS A 27 -7.332 18.925 2.010 1.00 62.41 H new ATOM 0 HD3 LYS A 27 -6.969 18.401 0.378 1.00 62.41 H new ATOM 0 HE2 LYS A 27 -5.645 16.528 1.201 1.00 72.51 H new ATOM 0 HE3 LYS A 27 -5.755 17.109 2.850 1.00 72.51 H new ATOM 0 HZ1 LYS A 27 -7.316 15.320 2.445 1.00 41.22 H new ATOM 0 HZ2 LYS A 27 -8.156 16.756 2.784 1.00 41.22 H new ATOM 0 HZ3 LYS A 27 -8.049 16.193 1.186 1.00 41.22 H new ATOM 410 N GLN A 28 -1.563 19.612 -1.038 1.00 71.34 N ATOM 411 CA GLN A 28 -0.617 19.279 -2.096 1.00 15.55 C ATOM 412 C GLN A 28 -0.619 17.781 -2.379 1.00 12.51 C ATOM 413 O GLN A 28 -1.297 17.011 -1.697 1.00 13.15 O ATOM 414 CB GLN A 28 0.791 19.736 -1.712 1.00 15.10 C ATOM 415 CG GLN A 28 0.817 21.045 -0.939 1.00 74.41 C ATOM 416 CD GLN A 28 0.641 20.844 0.554 1.00 31.43 C ATOM 417 OE1 GLN A 28 1.127 19.866 1.122 1.00 20.21 O ATOM 418 NE2 GLN A 28 -0.058 21.771 1.197 1.00 52.15 N ATOM 0 H GLN A 28 -1.254 19.357 -0.100 1.00 71.34 H new ATOM 0 HA GLN A 28 -0.927 19.800 -3.002 1.00 15.55 H new ATOM 0 HB2 GLN A 28 1.265 18.960 -1.111 1.00 15.10 H new ATOM 0 HB3 GLN A 28 1.388 19.847 -2.618 1.00 15.10 H new ATOM 0 HG2 GLN A 28 1.763 21.553 -1.124 1.00 74.41 H new ATOM 0 HG3 GLN A 28 0.026 21.697 -1.310 1.00 74.41 H new ATOM 0 HE21 GLN A 28 -0.443 22.565 0.686 1.00 52.15 H new ATOM 0 HE22 GLN A 28 -0.210 21.689 2.202 1.00 52.15 H new ATOM 427 N TYR A 29 0.141 17.373 -3.390 1.00 52.14 N ATOM 428 CA TYR A 29 0.224 15.967 -3.765 1.00 52.34 C ATOM 429 C TYR A 29 1.133 15.201 -2.808 1.00 13.10 C ATOM 430 O TYR A 29 2.128 15.734 -2.316 1.00 43.32 O ATOM 431 CB TYR A 29 0.742 15.829 -5.198 1.00 40.04 C ATOM 432 CG TYR A 29 -0.347 15.556 -6.211 1.00 41.23 C ATOM 433 CD1 TYR A 29 -1.009 14.335 -6.235 1.00 73.54 C ATOM 434 CD2 TYR A 29 -0.712 16.519 -7.143 1.00 21.31 C ATOM 435 CE1 TYR A 29 -2.004 14.080 -7.159 1.00 53.32 C ATOM 436 CE2 TYR A 29 -1.707 16.274 -8.070 1.00 75.21 C ATOM 437 CZ TYR A 29 -2.350 15.053 -8.074 1.00 14.01 C ATOM 438 OH TYR A 29 -3.340 14.805 -8.997 1.00 73.52 O ATOM 0 H TYR A 29 0.708 17.997 -3.964 1.00 52.14 H new ATOM 0 HA TYR A 29 -0.778 15.542 -3.705 1.00 52.34 H new ATOM 0 HB2 TYR A 29 1.265 16.744 -5.476 1.00 40.04 H new ATOM 0 HB3 TYR A 29 1.472 15.021 -5.235 1.00 40.04 H new ATOM 0 HD1 TYR A 29 -0.741 13.572 -5.519 1.00 73.54 H new ATOM 0 HD2 TYR A 29 -0.210 17.475 -7.143 1.00 21.31 H new ATOM 0 HE1 TYR A 29 -2.508 13.125 -7.165 1.00 53.32 H new ATOM 0 HE2 TYR A 29 -1.980 17.034 -8.787 1.00 75.21 H new ATOM 0 HH TYR A 29 -3.990 14.176 -8.619 1.00 73.52 H new ATOM 448 N LYS A 30 0.784 13.946 -2.549 1.00 73.43 N ATOM 449 CA LYS A 30 1.567 13.103 -1.653 1.00 73.41 C ATOM 450 C LYS A 30 1.642 11.672 -2.177 1.00 3.25 C ATOM 451 O LYS A 30 0.936 11.309 -3.120 1.00 71.44 O ATOM 452 CB LYS A 30 0.959 13.111 -0.249 1.00 1.34 C ATOM 453 CG LYS A 30 1.804 13.848 0.776 1.00 43.43 C ATOM 454 CD LYS A 30 1.817 13.125 2.112 1.00 24.10 C ATOM 455 CE LYS A 30 0.767 13.684 3.059 1.00 41.41 C ATOM 456 NZ LYS A 30 -0.449 12.825 3.110 1.00 32.22 N ATOM 0 H LYS A 30 -0.037 13.489 -2.947 1.00 73.43 H new ATOM 0 HA LYS A 30 2.578 13.508 -1.607 1.00 73.41 H new ATOM 0 HB2 LYS A 30 -0.028 13.571 -0.292 1.00 1.34 H new ATOM 0 HB3 LYS A 30 0.817 12.082 0.082 1.00 1.34 H new ATOM 0 HG2 LYS A 30 2.824 13.946 0.405 1.00 43.43 H new ATOM 0 HG3 LYS A 30 1.415 14.857 0.911 1.00 43.43 H new ATOM 0 HD2 LYS A 30 1.636 12.062 1.953 1.00 24.10 H new ATOM 0 HD3 LYS A 30 2.804 13.216 2.566 1.00 24.10 H new ATOM 0 HE2 LYS A 30 1.191 13.773 4.059 1.00 41.41 H new ATOM 0 HE3 LYS A 30 0.489 14.689 2.740 1.00 41.41 H new ATOM 0 HZ1 LYS A 30 -1.140 13.241 3.766 1.00 32.22 H new ATOM 0 HZ2 LYS A 30 -0.869 12.760 2.161 1.00 32.22 H new ATOM 0 HZ3 LYS A 30 -0.188 11.873 3.439 1.00 32.22 H new ATOM 470 N LEU A 31 2.499 10.865 -1.563 1.00 11.32 N ATOM 471 CA LEU A 31 2.664 9.473 -1.967 1.00 3.20 C ATOM 472 C LEU A 31 1.316 8.761 -2.031 1.00 52.02 C ATOM 473 O LEU A 31 1.056 7.981 -2.947 1.00 61.12 O ATOM 474 CB LEU A 31 3.592 8.745 -0.995 1.00 50.15 C ATOM 475 CG LEU A 31 5.091 8.885 -1.264 1.00 11.14 C ATOM 476 CD1 LEU A 31 5.877 8.815 0.036 1.00 44.41 C ATOM 477 CD2 LEU A 31 5.561 7.810 -2.232 1.00 13.03 C ATOM 0 H LEU A 31 3.091 11.150 -0.783 1.00 11.32 H new ATOM 0 HA LEU A 31 3.109 9.460 -2.962 1.00 3.20 H new ATOM 0 HB2 LEU A 31 3.389 9.110 0.012 1.00 50.15 H new ATOM 0 HB3 LEU A 31 3.339 7.685 -1.007 1.00 50.15 H new ATOM 0 HG LEU A 31 5.269 9.859 -1.719 1.00 11.14 H new ATOM 0 HD11 LEU A 31 6.941 8.917 -0.176 1.00 44.41 H new ATOM 0 HD12 LEU A 31 5.560 9.622 0.697 1.00 44.41 H new ATOM 0 HD13 LEU A 31 5.694 7.856 0.521 1.00 44.41 H new ATOM 0 HD21 LEU A 31 6.630 7.925 -2.412 1.00 13.03 H new ATOM 0 HD22 LEU A 31 5.369 6.826 -1.804 1.00 13.03 H new ATOM 0 HD23 LEU A 31 5.022 7.908 -3.174 1.00 13.03 H new ATOM 489 N LYS A 32 0.461 9.036 -1.052 1.00 51.51 N ATOM 490 CA LYS A 32 -0.862 8.426 -0.997 1.00 1.12 C ATOM 491 C LYS A 32 -1.528 8.446 -2.369 1.00 53.30 C ATOM 492 O LYS A 32 -2.274 7.531 -2.721 1.00 11.44 O ATOM 493 CB LYS A 32 -1.743 9.158 0.019 1.00 34.13 C ATOM 494 CG LYS A 32 -2.902 8.322 0.533 1.00 20.21 C ATOM 495 CD LYS A 32 -4.161 9.156 0.696 1.00 3.12 C ATOM 496 CE LYS A 32 -4.793 8.951 2.064 1.00 24.22 C ATOM 497 NZ LYS A 32 -3.914 9.441 3.160 1.00 74.00 N ATOM 0 H LYS A 32 0.661 9.678 -0.285 1.00 51.51 H new ATOM 0 HA LYS A 32 -0.743 7.388 -0.685 1.00 1.12 H new ATOM 0 HB2 LYS A 32 -1.128 9.469 0.863 1.00 34.13 H new ATOM 0 HB3 LYS A 32 -2.136 10.065 -0.440 1.00 34.13 H new ATOM 0 HG2 LYS A 32 -3.095 7.502 -0.158 1.00 20.21 H new ATOM 0 HG3 LYS A 32 -2.634 7.876 1.490 1.00 20.21 H new ATOM 0 HD2 LYS A 32 -3.920 10.210 0.560 1.00 3.12 H new ATOM 0 HD3 LYS A 32 -4.878 8.890 -0.081 1.00 3.12 H new ATOM 0 HE2 LYS A 32 -5.749 9.473 2.104 1.00 24.22 H new ATOM 0 HE3 LYS A 32 -5.002 7.892 2.212 1.00 24.22 H new ATOM 0 HZ1 LYS A 32 -4.494 9.683 3.989 1.00 74.00 H new ATOM 0 HZ2 LYS A 32 -3.234 8.698 3.418 1.00 74.00 H new ATOM 0 HZ3 LYS A 32 -3.398 10.286 2.840 1.00 74.00 H new ATOM 511 N HIS A 33 -1.252 9.492 -3.141 1.00 5.41 N ATOM 512 CA HIS A 33 -1.823 9.630 -4.477 1.00 62.30 C ATOM 513 C HIS A 33 -1.118 8.705 -5.466 1.00 42.54 C ATOM 514 O HIS A 33 -1.808 8.184 -6.342 1.00 22.32 O ATOM 515 CB HIS A 33 -1.718 11.079 -4.953 1.00 2.13 C ATOM 516 CG HIS A 33 -2.430 12.054 -4.067 1.00 42.12 C ATOM 517 ND1 HIS A 33 -1.776 13.020 -3.331 1.00 11.03 N ATOM 518 CD2 HIS A 33 -3.748 12.210 -3.800 1.00 33.51 C ATOM 519 CE1 HIS A 33 -2.661 13.726 -2.650 1.00 3.11 C ATOM 520 NE2 HIS A 33 -3.865 13.255 -2.917 1.00 23.33 N ATOM 0 H HIS A 33 -0.636 10.257 -2.865 1.00 5.41 H new ATOM 0 HA HIS A 33 -2.875 9.348 -4.427 1.00 62.30 H new ATOM 0 HB2 HIS A 33 -0.666 11.357 -5.014 1.00 2.13 H new ATOM 0 HB3 HIS A 33 -2.126 11.152 -5.961 1.00 2.13 H new ATOM 0 HD2 HIS A 33 -4.557 11.622 -4.206 1.00 33.51 H new ATOM 0 HE1 HIS A 33 -2.437 14.549 -1.987 1.00 3.11 H new ATOM 0 HE2 HIS A 33 -4.740 13.610 -2.530 1.00 23.33 H new ATOM 528 N ILE A 34 0.188 8.496 -5.353 1.00 55.01 N ATOM 529 CA ILE A 34 0.904 7.620 -6.273 1.00 44.35 C ATOM 530 C ILE A 34 0.714 6.154 -5.896 1.00 3.34 C ATOM 531 O ILE A 34 0.311 5.337 -6.724 1.00 61.12 O ATOM 532 CB ILE A 34 2.409 7.941 -6.300 1.00 15.21 C ATOM 533 CG1 ILE A 34 2.630 9.445 -6.478 1.00 41.11 C ATOM 534 CG2 ILE A 34 3.097 7.164 -7.413 1.00 44.21 C ATOM 535 CD1 ILE A 34 4.085 9.854 -6.416 1.00 61.32 C ATOM 0 H ILE A 34 0.773 8.921 -4.634 1.00 55.01 H new ATOM 0 HA ILE A 34 0.486 7.795 -7.265 1.00 44.35 H new ATOM 0 HB ILE A 34 2.846 7.639 -5.348 1.00 15.21 H new ATOM 0 HG12 ILE A 34 2.215 9.754 -7.437 1.00 41.11 H new ATOM 0 HG13 ILE A 34 2.078 9.979 -5.705 1.00 41.11 H new ATOM 0 HG21 ILE A 34 4.161 7.402 -7.419 1.00 44.21 H new ATOM 0 HG22 ILE A 34 2.965 6.095 -7.246 1.00 44.21 H new ATOM 0 HG23 ILE A 34 2.659 7.438 -8.373 1.00 44.21 H new ATOM 0 HD11 ILE A 34 4.166 10.933 -6.550 1.00 61.32 H new ATOM 0 HD12 ILE A 34 4.500 9.577 -5.447 1.00 61.32 H new ATOM 0 HD13 ILE A 34 4.639 9.348 -7.206 1.00 61.32 H new ATOM 547 N VAL A 35 1.007 5.830 -4.641 1.00 65.53 N ATOM 548 CA VAL A 35 0.866 4.463 -4.153 1.00 63.22 C ATOM 549 C VAL A 35 -0.498 3.886 -4.518 1.00 42.42 C ATOM 550 O VAL A 35 -0.617 2.706 -4.844 1.00 21.42 O ATOM 551 CB VAL A 35 1.048 4.390 -2.626 1.00 73.14 C ATOM 552 CG1 VAL A 35 0.878 2.961 -2.133 1.00 22.11 C ATOM 553 CG2 VAL A 35 2.409 4.941 -2.226 1.00 22.32 C ATOM 0 H VAL A 35 1.343 6.495 -3.944 1.00 65.53 H new ATOM 0 HA VAL A 35 1.647 3.874 -4.634 1.00 63.22 H new ATOM 0 HB VAL A 35 0.279 5.004 -2.157 1.00 73.14 H new ATOM 0 HG11 VAL A 35 1.010 2.931 -1.051 1.00 22.11 H new ATOM 0 HG12 VAL A 35 -0.121 2.605 -2.386 1.00 22.11 H new ATOM 0 HG13 VAL A 35 1.622 2.321 -2.608 1.00 22.11 H new ATOM 0 HG21 VAL A 35 2.522 4.882 -1.143 1.00 22.32 H new ATOM 0 HG22 VAL A 35 3.194 4.355 -2.705 1.00 22.32 H new ATOM 0 HG23 VAL A 35 2.488 5.981 -2.543 1.00 22.32 H new ATOM 563 N TRP A 36 -1.524 4.727 -4.460 1.00 5.43 N ATOM 564 CA TRP A 36 -2.881 4.302 -4.785 1.00 30.34 C ATOM 565 C TRP A 36 -2.982 3.877 -6.247 1.00 43.11 C ATOM 566 O TRP A 36 -3.485 2.797 -6.554 1.00 70.41 O ATOM 567 CB TRP A 36 -3.874 5.429 -4.500 1.00 54.40 C ATOM 568 CG TRP A 36 -5.263 5.134 -4.979 1.00 70.43 C ATOM 569 CD1 TRP A 36 -6.115 4.187 -4.487 1.00 72.01 C ATOM 570 CD2 TRP A 36 -5.959 5.787 -6.046 1.00 34.30 C ATOM 571 NE1 TRP A 36 -7.299 4.213 -5.183 1.00 63.42 N ATOM 572 CE2 TRP A 36 -7.229 5.186 -6.145 1.00 40.42 C ATOM 573 CE3 TRP A 36 -5.633 6.822 -6.927 1.00 41.44 C ATOM 574 CZ2 TRP A 36 -8.170 5.587 -7.089 1.00 63.20 C ATOM 575 CZ3 TRP A 36 -6.569 7.219 -7.863 1.00 42.14 C ATOM 576 CH2 TRP A 36 -7.825 6.603 -7.937 1.00 3.15 C ATOM 0 H TRP A 36 -1.442 5.707 -4.191 1.00 5.43 H new ATOM 0 HA TRP A 36 -3.126 3.445 -4.158 1.00 30.34 H new ATOM 0 HB2 TRP A 36 -3.900 5.617 -3.427 1.00 54.40 H new ATOM 0 HB3 TRP A 36 -3.520 6.344 -4.976 1.00 54.40 H new ATOM 0 HD1 TRP A 36 -5.891 3.516 -3.671 1.00 72.01 H new ATOM 0 HE1 TRP A 36 -8.101 3.606 -5.011 1.00 63.42 H new ATOM 0 HE3 TRP A 36 -4.667 7.303 -6.877 1.00 41.44 H new ATOM 0 HZ2 TRP A 36 -9.138 5.113 -7.150 1.00 63.20 H new ATOM 0 HZ3 TRP A 36 -6.328 8.018 -8.549 1.00 42.14 H new ATOM 0 HH2 TRP A 36 -8.535 6.937 -8.679 1.00 3.15 H new ATOM 587 N ALA A 37 -2.501 4.732 -7.142 1.00 10.34 N ATOM 588 CA ALA A 37 -2.536 4.443 -8.571 1.00 43.02 C ATOM 589 C ALA A 37 -1.713 3.202 -8.900 1.00 45.11 C ATOM 590 O ALA A 37 -2.124 2.370 -9.708 1.00 12.32 O ATOM 591 CB ALA A 37 -2.032 5.640 -9.364 1.00 75.05 C ATOM 0 H ALA A 37 -2.082 5.631 -6.904 1.00 10.34 H new ATOM 0 HA ALA A 37 -3.570 4.245 -8.852 1.00 43.02 H new ATOM 0 HB1 ALA A 37 -2.064 5.410 -10.429 1.00 75.05 H new ATOM 0 HB2 ALA A 37 -2.665 6.504 -9.160 1.00 75.05 H new ATOM 0 HB3 ALA A 37 -1.006 5.864 -9.072 1.00 75.05 H new ATOM 597 N SER A 38 -0.549 3.085 -8.269 1.00 4.20 N ATOM 598 CA SER A 38 0.334 1.948 -8.499 1.00 64.32 C ATOM 599 C SER A 38 -0.336 0.646 -8.071 1.00 24.22 C ATOM 600 O SER A 38 -0.158 -0.395 -8.707 1.00 51.40 O ATOM 601 CB SER A 38 1.647 2.133 -7.736 1.00 13.33 C ATOM 602 OG SER A 38 2.529 2.990 -8.440 1.00 12.15 O ATOM 0 H SER A 38 -0.196 3.764 -7.595 1.00 4.20 H new ATOM 0 HA SER A 38 0.547 1.894 -9.567 1.00 64.32 H new ATOM 0 HB2 SER A 38 1.442 2.548 -6.749 1.00 13.33 H new ATOM 0 HB3 SER A 38 2.122 1.164 -7.582 1.00 13.33 H new ATOM 0 HG SER A 38 3.195 2.453 -8.917 1.00 12.15 H new ATOM 608 N ARG A 39 -1.107 0.710 -6.991 1.00 73.14 N ATOM 609 CA ARG A 39 -1.802 -0.464 -6.477 1.00 42.32 C ATOM 610 C ARG A 39 -2.954 -0.858 -7.396 1.00 64.20 C ATOM 611 O ARG A 39 -3.286 -2.036 -7.519 1.00 64.30 O ATOM 612 CB ARG A 39 -2.331 -0.192 -5.067 1.00 72.01 C ATOM 613 CG ARG A 39 -1.383 -0.638 -3.965 1.00 41.00 C ATOM 614 CD ARG A 39 -2.140 -1.188 -2.767 1.00 43.23 C ATOM 615 NE ARG A 39 -2.331 -2.633 -2.856 1.00 22.12 N ATOM 616 CZ ARG A 39 -2.731 -3.386 -1.838 1.00 33.42 C ATOM 617 NH1 ARG A 39 -2.982 -2.834 -0.659 1.00 51.31 N ATOM 618 NH2 ARG A 39 -2.881 -4.694 -1.998 1.00 23.41 N ATOM 0 H ARG A 39 -1.266 1.563 -6.455 1.00 73.14 H new ATOM 0 HA ARG A 39 -1.091 -1.289 -6.439 1.00 42.32 H new ATOM 0 HB2 ARG A 39 -2.523 0.876 -4.960 1.00 72.01 H new ATOM 0 HB3 ARG A 39 -3.286 -0.702 -4.942 1.00 72.01 H new ATOM 0 HG2 ARG A 39 -0.708 -1.401 -4.352 1.00 41.00 H new ATOM 0 HG3 ARG A 39 -0.766 0.204 -3.651 1.00 41.00 H new ATOM 0 HD2 ARG A 39 -1.595 -0.950 -1.854 1.00 43.23 H new ATOM 0 HD3 ARG A 39 -3.111 -0.698 -2.696 1.00 43.23 H new ATOM 0 HE ARG A 39 -2.147 -3.089 -3.750 1.00 22.12 H new ATOM 0 HH11 ARG A 39 -2.868 -1.828 -0.532 1.00 51.31 H new ATOM 0 HH12 ARG A 39 -3.289 -3.415 0.121 1.00 51.31 H new ATOM 0 HH21 ARG A 39 -2.689 -5.122 -2.904 1.00 23.41 H new ATOM 0 HH22 ARG A 39 -3.188 -5.272 -1.215 1.00 23.41 H new ATOM 632 N GLU A 40 -3.560 0.136 -8.039 1.00 63.23 N ATOM 633 CA GLU A 40 -4.676 -0.108 -8.945 1.00 13.11 C ATOM 634 C GLU A 40 -4.190 -0.733 -10.250 1.00 55.44 C ATOM 635 O GLU A 40 -4.767 -1.704 -10.739 1.00 34.44 O ATOM 636 CB GLU A 40 -5.419 1.196 -9.237 1.00 64.00 C ATOM 637 CG GLU A 40 -6.900 1.003 -9.516 1.00 2.24 C ATOM 638 CD GLU A 40 -7.734 0.974 -8.250 1.00 5.22 C ATOM 639 OE1 GLU A 40 -7.840 2.025 -7.585 1.00 1.21 O ATOM 640 OE2 GLU A 40 -8.282 -0.100 -7.925 1.00 30.13 O ATOM 0 H GLU A 40 -3.297 1.117 -7.949 1.00 63.23 H new ATOM 0 HA GLU A 40 -5.359 -0.806 -8.460 1.00 13.11 H new ATOM 0 HB2 GLU A 40 -5.303 1.869 -8.387 1.00 64.00 H new ATOM 0 HB3 GLU A 40 -4.957 1.683 -10.095 1.00 64.00 H new ATOM 0 HG2 GLU A 40 -7.252 1.809 -10.160 1.00 2.24 H new ATOM 0 HG3 GLU A 40 -7.044 0.071 -10.063 1.00 2.24 H new ATOM 647 N LEU A 41 -3.126 -0.166 -10.809 1.00 30.42 N ATOM 648 CA LEU A 41 -2.561 -0.666 -12.058 1.00 40.05 C ATOM 649 C LEU A 41 -2.304 -2.167 -11.977 1.00 75.43 C ATOM 650 O LEU A 41 -2.553 -2.901 -12.932 1.00 35.52 O ATOM 651 CB LEU A 41 -1.259 0.070 -12.382 1.00 30.41 C ATOM 652 CG LEU A 41 -1.410 1.483 -12.945 1.00 41.13 C ATOM 653 CD1 LEU A 41 -0.045 2.099 -13.213 1.00 64.11 C ATOM 654 CD2 LEU A 41 -2.249 1.465 -14.214 1.00 54.42 C ATOM 0 H LEU A 41 -2.638 0.639 -10.418 1.00 30.42 H new ATOM 0 HA LEU A 41 -3.283 -0.483 -12.854 1.00 40.05 H new ATOM 0 HB2 LEU A 41 -0.660 0.125 -11.473 1.00 30.41 H new ATOM 0 HB3 LEU A 41 -0.696 -0.527 -13.099 1.00 30.41 H new ATOM 0 HG LEU A 41 -1.923 2.096 -12.204 1.00 41.13 H new ATOM 0 HD11 LEU A 41 -0.172 3.105 -13.613 1.00 64.11 H new ATOM 0 HD12 LEU A 41 0.521 2.148 -12.283 1.00 64.11 H new ATOM 0 HD13 LEU A 41 0.495 1.487 -13.935 1.00 64.11 H new ATOM 0 HD21 LEU A 41 -2.346 2.480 -14.601 1.00 54.42 H new ATOM 0 HD22 LEU A 41 -1.765 0.837 -14.961 1.00 54.42 H new ATOM 0 HD23 LEU A 41 -3.238 1.066 -13.990 1.00 54.42 H new ATOM 666 N GLU A 42 -1.804 -2.616 -10.829 1.00 44.22 N ATOM 667 CA GLU A 42 -1.514 -4.030 -10.624 1.00 63.21 C ATOM 668 C GLU A 42 -2.759 -4.881 -10.862 1.00 13.23 C ATOM 669 O GLU A 42 -2.666 -6.029 -11.296 1.00 30.44 O ATOM 670 CB GLU A 42 -0.987 -4.266 -9.208 1.00 54.55 C ATOM 671 CG GLU A 42 0.453 -4.749 -9.167 1.00 61.44 C ATOM 672 CD GLU A 42 0.571 -6.196 -8.729 1.00 25.13 C ATOM 673 OE1 GLU A 42 0.419 -6.463 -7.518 1.00 30.43 O ATOM 674 OE2 GLU A 42 0.813 -7.061 -9.596 1.00 74.30 O ATOM 0 H GLU A 42 -1.592 -2.021 -10.028 1.00 44.22 H new ATOM 0 HA GLU A 42 -0.749 -4.325 -11.343 1.00 63.21 H new ATOM 0 HB2 GLU A 42 -1.067 -3.339 -8.641 1.00 54.55 H new ATOM 0 HB3 GLU A 42 -1.622 -5.000 -8.711 1.00 54.55 H new ATOM 0 HG2 GLU A 42 0.899 -4.635 -10.155 1.00 61.44 H new ATOM 0 HG3 GLU A 42 1.024 -4.119 -8.485 1.00 61.44 H new ATOM 681 N ARG A 43 -3.924 -4.309 -10.574 1.00 10.20 N ATOM 682 CA ARG A 43 -5.187 -5.014 -10.755 1.00 50.23 C ATOM 683 C ARG A 43 -5.638 -4.956 -12.212 1.00 74.34 C ATOM 684 O ARG A 43 -6.481 -5.742 -12.642 1.00 23.45 O ATOM 685 CB ARG A 43 -6.265 -4.412 -9.851 1.00 0.15 C ATOM 686 CG ARG A 43 -6.383 -5.102 -8.502 1.00 53.04 C ATOM 687 CD ARG A 43 -7.352 -6.272 -8.557 1.00 51.02 C ATOM 688 NE ARG A 43 -6.663 -7.546 -8.750 1.00 51.44 N ATOM 689 CZ ARG A 43 -7.290 -8.693 -8.981 1.00 62.44 C ATOM 690 NH1 ARG A 43 -8.614 -8.727 -9.048 1.00 71.23 N ATOM 691 NH2 ARG A 43 -6.592 -9.810 -9.145 1.00 63.45 N ATOM 0 H ARG A 43 -4.019 -3.359 -10.214 1.00 10.20 H new ATOM 0 HA ARG A 43 -5.035 -6.058 -10.482 1.00 50.23 H new ATOM 0 HB2 ARG A 43 -6.046 -3.356 -9.692 1.00 0.15 H new ATOM 0 HB3 ARG A 43 -7.226 -4.464 -10.362 1.00 0.15 H new ATOM 0 HG2 ARG A 43 -5.402 -5.456 -8.186 1.00 53.04 H new ATOM 0 HG3 ARG A 43 -6.719 -4.385 -7.753 1.00 53.04 H new ATOM 0 HD2 ARG A 43 -7.929 -6.308 -7.633 1.00 51.02 H new ATOM 0 HD3 ARG A 43 -8.062 -6.117 -9.370 1.00 51.02 H new ATOM 0 HE ARG A 43 -5.644 -7.554 -8.705 1.00 51.44 H new ATOM 0 HH11 ARG A 43 -9.153 -7.870 -8.922 1.00 71.23 H new ATOM 0 HH12 ARG A 43 -9.093 -9.610 -9.226 1.00 71.23 H new ATOM 0 HH21 ARG A 43 -5.574 -9.787 -9.094 1.00 63.45 H new ATOM 0 HH22 ARG A 43 -7.074 -10.691 -9.322 1.00 63.45 H new ATOM 705 N PHE A 44 -5.071 -4.019 -12.965 1.00 60.34 N ATOM 706 CA PHE A 44 -5.415 -3.857 -14.372 1.00 63.21 C ATOM 707 C PHE A 44 -4.379 -4.531 -15.267 1.00 62.41 C ATOM 708 O PHE A 44 -4.215 -4.164 -16.430 1.00 42.25 O ATOM 709 CB PHE A 44 -5.523 -2.373 -14.725 1.00 2.51 C ATOM 710 CG PHE A 44 -6.655 -1.672 -14.030 1.00 14.11 C ATOM 711 CD1 PHE A 44 -7.947 -2.166 -14.109 1.00 52.10 C ATOM 712 CD2 PHE A 44 -6.428 -0.517 -13.297 1.00 34.22 C ATOM 713 CE1 PHE A 44 -8.991 -1.524 -13.469 1.00 1.02 C ATOM 714 CE2 PHE A 44 -7.466 0.129 -12.656 1.00 24.42 C ATOM 715 CZ PHE A 44 -8.750 -0.374 -12.744 1.00 71.03 C ATOM 0 H PHE A 44 -4.371 -3.360 -12.624 1.00 60.34 H new ATOM 0 HA PHE A 44 -6.380 -4.334 -14.541 1.00 63.21 H new ATOM 0 HB2 PHE A 44 -4.587 -1.878 -14.468 1.00 2.51 H new ATOM 0 HB3 PHE A 44 -5.651 -2.273 -15.803 1.00 2.51 H new ATOM 0 HD1 PHE A 44 -8.141 -3.064 -14.677 1.00 52.10 H new ATOM 0 HD2 PHE A 44 -5.427 -0.118 -13.227 1.00 34.22 H new ATOM 0 HE1 PHE A 44 -9.993 -1.921 -13.536 1.00 1.02 H new ATOM 0 HE2 PHE A 44 -7.275 1.026 -12.086 1.00 24.42 H new ATOM 0 HZ PHE A 44 -9.564 0.132 -12.246 1.00 71.03 H new ATOM 725 N ALA A 45 -3.682 -5.519 -14.714 1.00 10.22 N ATOM 726 CA ALA A 45 -2.663 -6.245 -15.461 1.00 12.33 C ATOM 727 C ALA A 45 -1.499 -5.331 -15.832 1.00 73.44 C ATOM 728 O ALA A 45 -0.802 -5.567 -16.819 1.00 52.54 O ATOM 729 CB ALA A 45 -3.267 -6.865 -16.713 1.00 73.33 C ATOM 0 H ALA A 45 -3.805 -5.834 -13.752 1.00 10.22 H new ATOM 0 HA ALA A 45 -2.279 -7.041 -14.823 1.00 12.33 H new ATOM 0 HB1 ALA A 45 -2.494 -7.404 -17.261 1.00 73.33 H new ATOM 0 HB2 ALA A 45 -4.061 -7.556 -16.430 1.00 73.33 H new ATOM 0 HB3 ALA A 45 -3.679 -6.079 -17.346 1.00 73.33 H new ATOM 735 N VAL A 46 -1.293 -4.289 -15.033 1.00 52.34 N ATOM 736 CA VAL A 46 -0.213 -3.340 -15.276 1.00 73.41 C ATOM 737 C VAL A 46 0.681 -3.200 -14.049 1.00 61.35 C ATOM 738 O VAL A 46 0.201 -2.960 -12.942 1.00 43.23 O ATOM 739 CB VAL A 46 -0.759 -1.953 -15.661 1.00 64.13 C ATOM 740 CG1 VAL A 46 0.380 -0.968 -15.867 1.00 74.42 C ATOM 741 CG2 VAL A 46 -1.624 -2.050 -16.908 1.00 2.30 C ATOM 0 H VAL A 46 -1.860 -4.081 -14.211 1.00 52.34 H new ATOM 0 HA VAL A 46 0.373 -3.734 -16.107 1.00 73.41 H new ATOM 0 HB VAL A 46 -1.379 -1.586 -14.843 1.00 64.13 H new ATOM 0 HG11 VAL A 46 -0.026 0.006 -16.138 1.00 74.42 H new ATOM 0 HG12 VAL A 46 0.954 -0.878 -14.945 1.00 74.42 H new ATOM 0 HG13 VAL A 46 1.030 -1.325 -16.666 1.00 74.42 H new ATOM 0 HG21 VAL A 46 -2.002 -1.061 -17.166 1.00 2.30 H new ATOM 0 HG22 VAL A 46 -1.029 -2.438 -17.734 1.00 2.30 H new ATOM 0 HG23 VAL A 46 -2.462 -2.720 -16.718 1.00 2.30 H new ATOM 751 N ASN A 47 1.986 -3.351 -14.254 1.00 40.31 N ATOM 752 CA ASN A 47 2.948 -3.240 -13.163 1.00 11.11 C ATOM 753 C ASN A 47 3.092 -1.790 -12.710 1.00 61.43 C ATOM 754 O ASN A 47 3.129 -0.862 -13.517 1.00 41.43 O ATOM 755 CB ASN A 47 4.309 -3.787 -13.599 1.00 11.42 C ATOM 756 CG ASN A 47 4.665 -5.081 -12.894 1.00 21.51 C ATOM 757 OD1 ASN A 47 5.620 -5.137 -12.120 1.00 41.34 O ATOM 758 ND2 ASN A 47 3.896 -6.131 -13.160 1.00 34.14 N ATOM 0 H ASN A 47 2.401 -3.550 -15.164 1.00 40.31 H new ATOM 0 HA ASN A 47 2.578 -3.829 -12.324 1.00 11.11 H new ATOM 0 HB2 ASN A 47 4.302 -3.953 -14.676 1.00 11.42 H new ATOM 0 HB3 ASN A 47 5.079 -3.042 -13.396 1.00 11.42 H new ATOM 0 HD21 ASN A 47 4.087 -7.029 -12.716 1.00 34.14 H new ATOM 0 HD22 ASN A 47 3.114 -6.039 -13.809 1.00 34.14 H new ATOM 765 N PRO A 48 3.177 -1.591 -11.386 1.00 1.31 N ATOM 766 CA PRO A 48 3.320 -0.257 -10.794 1.00 4.44 C ATOM 767 C PRO A 48 4.686 0.358 -11.073 1.00 35.20 C ATOM 768 O PRO A 48 4.912 1.539 -10.814 1.00 44.21 O ATOM 769 CB PRO A 48 3.144 -0.514 -9.295 1.00 12.33 C ATOM 770 CG PRO A 48 3.544 -1.936 -9.105 1.00 0.42 C ATOM 771 CD PRO A 48 3.141 -2.651 -10.365 1.00 23.33 C ATOM 0 HA PRO A 48 2.601 0.451 -11.206 1.00 4.44 H new ATOM 0 HB2 PRO A 48 3.768 0.155 -8.703 1.00 12.33 H new ATOM 0 HB3 PRO A 48 2.113 -0.348 -8.983 1.00 12.33 H new ATOM 0 HG2 PRO A 48 4.617 -2.020 -8.935 1.00 0.42 H new ATOM 0 HG3 PRO A 48 3.049 -2.368 -8.236 1.00 0.42 H new ATOM 0 HD2 PRO A 48 3.829 -3.462 -10.604 1.00 23.33 H new ATOM 0 HD3 PRO A 48 2.147 -3.091 -10.277 1.00 23.33 H new ATOM 779 N GLY A 49 5.597 -0.452 -11.606 1.00 52.44 N ATOM 780 CA GLY A 49 6.932 0.031 -11.911 1.00 44.40 C ATOM 781 C GLY A 49 6.950 0.964 -13.106 1.00 12.55 C ATOM 782 O GLY A 49 7.874 1.762 -13.265 1.00 14.24 O ATOM 0 H GLY A 49 5.434 -1.433 -11.832 1.00 52.44 H new ATOM 0 HA2 GLY A 49 7.335 0.551 -11.042 1.00 44.40 H new ATOM 0 HA3 GLY A 49 7.587 -0.818 -12.107 1.00 44.40 H new ATOM 786 N LEU A 50 5.929 0.863 -13.949 1.00 41.51 N ATOM 787 CA LEU A 50 5.832 1.704 -15.137 1.00 24.14 C ATOM 788 C LEU A 50 5.742 3.177 -14.757 1.00 43.53 C ATOM 789 O LEU A 50 6.239 4.048 -15.474 1.00 31.40 O ATOM 790 CB LEU A 50 4.612 1.305 -15.970 1.00 34.40 C ATOM 791 CG LEU A 50 4.586 -0.138 -16.474 1.00 34.23 C ATOM 792 CD1 LEU A 50 3.256 -0.446 -17.144 1.00 31.20 C ATOM 793 CD2 LEU A 50 5.740 -0.389 -17.435 1.00 44.12 C ATOM 0 H LEU A 50 5.156 0.207 -13.832 1.00 41.51 H new ATOM 0 HA LEU A 50 6.734 1.556 -15.730 1.00 24.14 H new ATOM 0 HB2 LEU A 50 3.717 1.476 -15.372 1.00 34.40 H new ATOM 0 HB3 LEU A 50 4.552 1.971 -16.831 1.00 34.40 H new ATOM 0 HG LEU A 50 4.701 -0.803 -15.618 1.00 34.23 H new ATOM 0 HD11 LEU A 50 3.256 -1.478 -17.496 1.00 31.20 H new ATOM 0 HD12 LEU A 50 2.447 -0.308 -16.427 1.00 31.20 H new ATOM 0 HD13 LEU A 50 3.110 0.226 -17.990 1.00 31.20 H new ATOM 0 HD21 LEU A 50 5.705 -1.421 -17.783 1.00 44.12 H new ATOM 0 HD22 LEU A 50 5.657 0.285 -18.288 1.00 44.12 H new ATOM 0 HD23 LEU A 50 6.685 -0.211 -16.923 1.00 44.12 H new ATOM 805 N LEU A 51 5.106 3.453 -13.623 1.00 33.34 N ATOM 806 CA LEU A 51 4.952 4.822 -13.145 1.00 72.40 C ATOM 807 C LEU A 51 6.297 5.406 -12.724 1.00 13.32 C ATOM 808 O LEU A 51 6.418 6.610 -12.497 1.00 62.23 O ATOM 809 CB LEU A 51 3.975 4.866 -11.969 1.00 64.13 C ATOM 810 CG LEU A 51 2.573 4.321 -12.241 1.00 21.43 C ATOM 811 CD1 LEU A 51 1.777 4.226 -10.949 1.00 60.22 C ATOM 812 CD2 LEU A 51 1.847 5.196 -13.253 1.00 53.02 C ATOM 0 H LEU A 51 4.689 2.746 -13.018 1.00 33.34 H new ATOM 0 HA LEU A 51 4.555 5.423 -13.963 1.00 72.40 H new ATOM 0 HB2 LEU A 51 4.408 4.303 -11.142 1.00 64.13 H new ATOM 0 HB3 LEU A 51 3.883 5.900 -11.637 1.00 64.13 H new ATOM 0 HG LEU A 51 2.669 3.319 -12.659 1.00 21.43 H new ATOM 0 HD11 LEU A 51 0.782 3.836 -11.163 1.00 60.22 H new ATOM 0 HD12 LEU A 51 2.287 3.558 -10.255 1.00 60.22 H new ATOM 0 HD13 LEU A 51 1.690 5.216 -10.501 1.00 60.22 H new ATOM 0 HD21 LEU A 51 0.851 4.793 -13.434 1.00 53.02 H new ATOM 0 HD22 LEU A 51 1.762 6.210 -12.863 1.00 53.02 H new ATOM 0 HD23 LEU A 51 2.407 5.213 -14.188 1.00 53.02 H new ATOM 824 N GLU A 52 7.306 4.545 -12.627 1.00 61.03 N ATOM 825 CA GLU A 52 8.643 4.977 -12.235 1.00 44.11 C ATOM 826 C GLU A 52 9.377 5.608 -13.414 1.00 2.31 C ATOM 827 O GLU A 52 10.299 6.405 -13.233 1.00 25.31 O ATOM 828 CB GLU A 52 9.447 3.794 -11.693 1.00 24.15 C ATOM 829 CG GLU A 52 10.798 4.187 -11.121 1.00 15.13 C ATOM 830 CD GLU A 52 11.504 3.030 -10.443 1.00 62.33 C ATOM 831 OE1 GLU A 52 10.833 2.021 -10.141 1.00 62.05 O ATOM 832 OE2 GLU A 52 12.727 3.132 -10.212 1.00 34.11 O ATOM 0 H GLU A 52 7.223 3.546 -12.814 1.00 61.03 H new ATOM 0 HA GLU A 52 8.540 5.726 -11.450 1.00 44.11 H new ATOM 0 HB2 GLU A 52 8.865 3.295 -10.918 1.00 24.15 H new ATOM 0 HB3 GLU A 52 9.598 3.071 -12.494 1.00 24.15 H new ATOM 0 HG2 GLU A 52 11.429 4.573 -11.922 1.00 15.13 H new ATOM 0 HG3 GLU A 52 10.663 4.996 -10.403 1.00 15.13 H new ATOM 839 N THR A 53 8.963 5.247 -14.625 1.00 71.51 N ATOM 840 CA THR A 53 9.581 5.774 -15.835 1.00 51.54 C ATOM 841 C THR A 53 8.557 6.485 -16.710 1.00 25.13 C ATOM 842 O THR A 53 7.448 5.990 -16.911 1.00 43.24 O ATOM 843 CB THR A 53 10.255 4.658 -16.654 1.00 25.03 C ATOM 844 OG1 THR A 53 9.317 4.096 -17.580 1.00 51.42 O ATOM 845 CG2 THR A 53 10.791 3.564 -15.743 1.00 45.24 C ATOM 0 H THR A 53 8.201 4.590 -14.793 1.00 71.51 H new ATOM 0 HA THR A 53 10.340 6.488 -15.517 1.00 51.54 H new ATOM 0 HB THR A 53 11.091 5.094 -17.201 1.00 25.03 H new ATOM 0 HG1 THR A 53 8.581 3.677 -17.087 1.00 51.42 H new ATOM 0 HG21 THR A 53 11.262 2.787 -16.345 1.00 45.24 H new ATOM 0 HG22 THR A 53 11.526 3.988 -15.058 1.00 45.24 H new ATOM 0 HG23 THR A 53 9.970 3.132 -15.172 1.00 45.24 H new ATOM 853 N SER A 54 8.935 7.648 -17.231 1.00 14.20 N ATOM 854 CA SER A 54 8.047 8.429 -18.084 1.00 10.10 C ATOM 855 C SER A 54 7.455 7.562 -19.190 1.00 25.53 C ATOM 856 O SER A 54 6.293 7.721 -19.563 1.00 51.30 O ATOM 857 CB SER A 54 8.802 9.611 -18.695 1.00 25.13 C ATOM 858 OG SER A 54 10.103 9.725 -18.146 1.00 71.24 O ATOM 0 H SER A 54 9.851 8.070 -17.077 1.00 14.20 H new ATOM 0 HA SER A 54 7.231 8.808 -17.468 1.00 10.10 H new ATOM 0 HB2 SER A 54 8.870 9.484 -19.775 1.00 25.13 H new ATOM 0 HB3 SER A 54 8.247 10.532 -18.517 1.00 25.13 H new ATOM 0 HG SER A 54 10.565 10.487 -18.554 1.00 71.24 H new ATOM 864 N GLU A 55 8.263 6.644 -19.711 1.00 73.34 N ATOM 865 CA GLU A 55 7.819 5.751 -20.774 1.00 11.33 C ATOM 866 C GLU A 55 6.622 4.920 -20.324 1.00 4.24 C ATOM 867 O GLU A 55 5.650 4.760 -21.062 1.00 1.44 O ATOM 868 CB GLU A 55 8.961 4.828 -21.205 1.00 60.11 C ATOM 869 CG GLU A 55 9.126 4.725 -22.712 1.00 62.32 C ATOM 870 CD GLU A 55 9.419 6.064 -23.359 1.00 14.14 C ATOM 871 OE1 GLU A 55 10.566 6.544 -23.234 1.00 5.12 O ATOM 872 OE2 GLU A 55 8.504 6.632 -23.990 1.00 3.21 O ATOM 0 H GLU A 55 9.228 6.500 -19.414 1.00 73.34 H new ATOM 0 HA GLU A 55 7.515 6.363 -21.623 1.00 11.33 H new ATOM 0 HB2 GLU A 55 9.893 5.190 -20.770 1.00 60.11 H new ATOM 0 HB3 GLU A 55 8.785 3.832 -20.799 1.00 60.11 H new ATOM 0 HG2 GLU A 55 9.936 4.031 -22.939 1.00 62.32 H new ATOM 0 HG3 GLU A 55 8.217 4.307 -23.146 1.00 62.32 H new ATOM 879 N GLY A 56 6.699 4.393 -19.106 1.00 4.13 N ATOM 880 CA GLY A 56 5.615 3.584 -18.577 1.00 11.53 C ATOM 881 C GLY A 56 4.286 4.314 -18.595 1.00 42.01 C ATOM 882 O GLY A 56 3.297 3.802 -19.120 1.00 70.52 O ATOM 0 H GLY A 56 7.492 4.511 -18.476 1.00 4.13 H new ATOM 0 HA2 GLY A 56 5.531 2.668 -19.161 1.00 11.53 H new ATOM 0 HA3 GLY A 56 5.851 3.290 -17.554 1.00 11.53 H new ATOM 886 N CYS A 57 4.262 5.510 -18.018 1.00 12.44 N ATOM 887 CA CYS A 57 3.043 6.309 -17.967 1.00 15.21 C ATOM 888 C CYS A 57 2.534 6.615 -19.372 1.00 2.31 C ATOM 889 O CYS A 57 1.343 6.479 -19.655 1.00 33.30 O ATOM 890 CB CYS A 57 3.295 7.613 -17.208 1.00 55.21 C ATOM 891 SG CYS A 57 2.749 7.581 -15.484 1.00 52.41 S ATOM 0 H CYS A 57 5.072 5.948 -17.579 1.00 12.44 H new ATOM 0 HA CYS A 57 2.282 5.732 -17.442 1.00 15.21 H new ATOM 0 HB2 CYS A 57 4.361 7.837 -17.236 1.00 55.21 H new ATOM 0 HB3 CYS A 57 2.785 8.426 -17.725 1.00 55.21 H new ATOM 0 HG CYS A 57 3.007 8.726 -14.926 1.00 52.41 H new ATOM 897 N ARG A 58 3.443 7.031 -20.247 1.00 44.40 N ATOM 898 CA ARG A 58 3.085 7.359 -21.622 1.00 34.03 C ATOM 899 C ARG A 58 2.188 6.282 -22.223 1.00 61.43 C ATOM 900 O ARG A 58 1.320 6.572 -23.045 1.00 32.14 O ATOM 901 CB ARG A 58 4.346 7.522 -22.475 1.00 63.44 C ATOM 902 CG ARG A 58 4.338 8.769 -23.342 1.00 45.32 C ATOM 903 CD ARG A 58 5.626 8.901 -24.139 1.00 54.42 C ATOM 904 NE ARG A 58 5.465 9.773 -25.300 1.00 61.01 N ATOM 905 CZ ARG A 58 6.440 10.037 -26.161 1.00 2.13 C ATOM 906 NH1 ARG A 58 7.641 9.500 -25.995 1.00 42.54 N ATOM 907 NH2 ARG A 58 6.215 10.840 -27.195 1.00 51.15 N ATOM 0 H ARG A 58 4.432 7.149 -20.029 1.00 44.40 H new ATOM 0 HA ARG A 58 2.536 8.301 -21.613 1.00 34.03 H new ATOM 0 HB2 ARG A 58 5.216 7.551 -21.820 1.00 63.44 H new ATOM 0 HB3 ARG A 58 4.458 6.646 -23.114 1.00 63.44 H new ATOM 0 HG2 ARG A 58 3.489 8.734 -24.024 1.00 45.32 H new ATOM 0 HG3 ARG A 58 4.206 9.650 -22.714 1.00 45.32 H new ATOM 0 HD2 ARG A 58 6.412 9.296 -23.495 1.00 54.42 H new ATOM 0 HD3 ARG A 58 5.951 7.914 -24.469 1.00 54.42 H new ATOM 0 HE ARG A 58 4.553 10.202 -25.458 1.00 61.01 H new ATOM 0 HH11 ARG A 58 7.818 8.882 -25.203 1.00 42.54 H new ATOM 0 HH12 ARG A 58 8.388 9.705 -26.659 1.00 42.54 H new ATOM 0 HH21 ARG A 58 5.292 11.254 -27.328 1.00 51.15 H new ATOM 0 HH22 ARG A 58 6.965 11.042 -27.856 1.00 51.15 H new ATOM 921 N GLN A 59 2.403 5.038 -21.804 1.00 1.05 N ATOM 922 CA GLN A 59 1.614 3.918 -22.302 1.00 2.21 C ATOM 923 C GLN A 59 0.404 3.665 -21.409 1.00 51.12 C ATOM 924 O GLN A 59 -0.662 3.277 -21.887 1.00 21.42 O ATOM 925 CB GLN A 59 2.475 2.656 -22.382 1.00 33.33 C ATOM 926 CG GLN A 59 3.330 2.582 -23.637 1.00 14.32 C ATOM 927 CD GLN A 59 2.745 1.660 -24.688 1.00 33.03 C ATOM 928 OE1 GLN A 59 2.216 2.114 -25.703 1.00 3.13 O ATOM 929 NE2 GLN A 59 2.838 0.357 -24.452 1.00 72.03 N ATOM 0 H GLN A 59 3.116 4.781 -21.122 1.00 1.05 H new ATOM 0 HA GLN A 59 1.259 4.172 -23.301 1.00 2.21 H new ATOM 0 HB2 GLN A 59 3.124 2.613 -21.507 1.00 33.33 H new ATOM 0 HB3 GLN A 59 1.827 1.781 -22.342 1.00 33.33 H new ATOM 0 HG2 GLN A 59 3.440 3.582 -24.057 1.00 14.32 H new ATOM 0 HG3 GLN A 59 4.329 2.236 -23.372 1.00 14.32 H new ATOM 0 HE21 GLN A 59 3.285 0.024 -23.598 1.00 72.03 H new ATOM 0 HE22 GLN A 59 2.463 -0.311 -25.125 1.00 72.03 H new ATOM 938 N ILE A 60 0.576 3.889 -20.111 1.00 11.41 N ATOM 939 CA ILE A 60 -0.503 3.687 -19.152 1.00 25.41 C ATOM 940 C ILE A 60 -1.642 4.674 -19.388 1.00 75.14 C ATOM 941 O ILE A 60 -2.811 4.354 -19.170 1.00 1.30 O ATOM 942 CB ILE A 60 -0.004 3.834 -17.703 1.00 53.43 C ATOM 943 CG1 ILE A 60 1.037 2.759 -17.387 1.00 32.52 C ATOM 944 CG2 ILE A 60 -1.170 3.753 -16.729 1.00 23.51 C ATOM 945 CD1 ILE A 60 2.030 3.171 -16.322 1.00 5.41 C ATOM 0 H ILE A 60 1.452 4.210 -19.699 1.00 11.41 H new ATOM 0 HA ILE A 60 -0.869 2.671 -19.300 1.00 25.41 H new ATOM 0 HB ILE A 60 0.466 4.811 -17.595 1.00 53.43 H new ATOM 0 HG12 ILE A 60 0.525 1.853 -17.063 1.00 32.52 H new ATOM 0 HG13 ILE A 60 1.578 2.510 -18.300 1.00 32.52 H new ATOM 0 HG21 ILE A 60 -0.800 3.859 -15.709 1.00 23.51 H new ATOM 0 HG22 ILE A 60 -1.879 4.553 -16.943 1.00 23.51 H new ATOM 0 HG23 ILE A 60 -1.668 2.789 -16.836 1.00 23.51 H new ATOM 0 HD11 ILE A 60 2.737 2.359 -16.150 1.00 5.41 H new ATOM 0 HD12 ILE A 60 2.570 4.059 -16.652 1.00 5.41 H new ATOM 0 HD13 ILE A 60 1.499 3.392 -15.396 1.00 5.41 H new ATOM 957 N LEU A 61 -1.292 5.874 -19.837 1.00 4.21 N ATOM 958 CA LEU A 61 -2.285 6.909 -20.106 1.00 74.10 C ATOM 959 C LEU A 61 -2.974 6.667 -21.446 1.00 44.43 C ATOM 960 O LEU A 61 -4.140 7.016 -21.626 1.00 14.03 O ATOM 961 CB LEU A 61 -1.626 8.289 -20.100 1.00 71.21 C ATOM 962 CG LEU A 61 -1.195 8.821 -18.732 1.00 4.21 C ATOM 963 CD1 LEU A 61 -0.078 9.842 -18.884 1.00 1.04 C ATOM 964 CD2 LEU A 61 -2.382 9.432 -18.000 1.00 25.44 C ATOM 0 H LEU A 61 -0.329 6.155 -20.022 1.00 4.21 H new ATOM 0 HA LEU A 61 -3.038 6.870 -19.319 1.00 74.10 H new ATOM 0 HB2 LEU A 61 -0.749 8.254 -20.747 1.00 71.21 H new ATOM 0 HB3 LEU A 61 -2.320 9.003 -20.543 1.00 71.21 H new ATOM 0 HG LEU A 61 -0.818 7.986 -18.141 1.00 4.21 H new ATOM 0 HD11 LEU A 61 0.215 10.209 -17.901 1.00 1.04 H new ATOM 0 HD12 LEU A 61 0.780 9.374 -19.367 1.00 1.04 H new ATOM 0 HD13 LEU A 61 -0.427 10.676 -19.493 1.00 1.04 H new ATOM 0 HD21 LEU A 61 -2.058 9.805 -17.029 1.00 25.44 H new ATOM 0 HD22 LEU A 61 -2.788 10.255 -18.588 1.00 25.44 H new ATOM 0 HD23 LEU A 61 -3.152 8.673 -17.858 1.00 25.44 H new ATOM 976 N GLY A 62 -2.245 6.067 -22.381 1.00 32.14 N ATOM 977 CA GLY A 62 -2.803 5.788 -23.691 1.00 63.24 C ATOM 978 C GLY A 62 -3.852 4.694 -23.653 1.00 44.41 C ATOM 979 O GLY A 62 -4.634 4.543 -24.591 1.00 11.11 O ATOM 0 H GLY A 62 -1.278 5.769 -22.255 1.00 32.14 H new ATOM 0 HA2 GLY A 62 -3.246 6.698 -24.095 1.00 63.24 H new ATOM 0 HA3 GLY A 62 -2.001 5.495 -24.369 1.00 63.24 H new ATOM 983 N GLN A 63 -3.868 3.929 -22.566 1.00 45.52 N ATOM 984 CA GLN A 63 -4.828 2.843 -22.412 1.00 63.25 C ATOM 985 C GLN A 63 -6.107 3.338 -21.744 1.00 23.24 C ATOM 986 O GLN A 63 -7.211 3.086 -22.230 1.00 62.41 O ATOM 987 CB GLN A 63 -4.217 1.707 -21.589 1.00 10.10 C ATOM 988 CG GLN A 63 -3.825 0.496 -22.421 1.00 43.52 C ATOM 989 CD GLN A 63 -2.608 0.753 -23.287 1.00 65.40 C ATOM 990 OE1 GLN A 63 -1.471 0.623 -22.833 1.00 31.54 O ATOM 991 NE2 GLN A 63 -2.840 1.119 -24.542 1.00 64.42 N ATOM 0 H GLN A 63 -3.228 4.041 -21.780 1.00 45.52 H new ATOM 0 HA GLN A 63 -5.078 2.470 -23.405 1.00 63.25 H new ATOM 0 HB2 GLN A 63 -3.335 2.080 -21.068 1.00 10.10 H new ATOM 0 HB3 GLN A 63 -4.931 1.397 -20.826 1.00 10.10 H new ATOM 0 HG2 GLN A 63 -3.624 -0.346 -21.758 1.00 43.52 H new ATOM 0 HG3 GLN A 63 -4.664 0.209 -23.055 1.00 43.52 H new ATOM 0 HE21 GLN A 63 -3.799 1.214 -24.876 1.00 64.42 H new ATOM 0 HE22 GLN A 63 -2.059 1.305 -25.172 1.00 64.42 H new ATOM 1000 N LEU A 64 -5.953 4.042 -20.629 1.00 14.52 N ATOM 1001 CA LEU A 64 -7.097 4.573 -19.894 1.00 74.41 C ATOM 1002 C LEU A 64 -7.745 5.725 -20.654 1.00 22.42 C ATOM 1003 O LEU A 64 -8.959 5.917 -20.589 1.00 12.33 O ATOM 1004 CB LEU A 64 -6.661 5.044 -18.505 1.00 24.13 C ATOM 1005 CG LEU A 64 -5.755 4.090 -17.726 1.00 33.04 C ATOM 1006 CD1 LEU A 64 -5.268 4.746 -16.443 1.00 34.42 C ATOM 1007 CD2 LEU A 64 -6.486 2.792 -17.419 1.00 30.33 C ATOM 0 H LEU A 64 -5.047 4.259 -20.213 1.00 14.52 H new ATOM 0 HA LEU A 64 -7.831 3.775 -19.787 1.00 74.41 H new ATOM 0 HB2 LEU A 64 -6.144 5.997 -18.612 1.00 24.13 H new ATOM 0 HB3 LEU A 64 -7.555 5.231 -17.910 1.00 24.13 H new ATOM 0 HG LEU A 64 -4.887 3.857 -18.343 1.00 33.04 H new ATOM 0 HD11 LEU A 64 -4.625 4.053 -15.901 1.00 34.42 H new ATOM 0 HD12 LEU A 64 -4.706 5.648 -16.686 1.00 34.42 H new ATOM 0 HD13 LEU A 64 -6.124 5.008 -15.821 1.00 34.42 H new ATOM 0 HD21 LEU A 64 -5.826 2.125 -16.864 1.00 30.33 H new ATOM 0 HD22 LEU A 64 -7.372 3.006 -16.821 1.00 30.33 H new ATOM 0 HD23 LEU A 64 -6.785 2.313 -18.352 1.00 30.33 H new ATOM 1019 N GLN A 65 -6.929 6.485 -21.376 1.00 54.23 N ATOM 1020 CA GLN A 65 -7.424 7.617 -22.150 1.00 4.31 C ATOM 1021 C GLN A 65 -8.695 7.244 -22.907 1.00 12.35 C ATOM 1022 O GLN A 65 -9.760 7.827 -22.706 1.00 12.53 O ATOM 1023 CB GLN A 65 -6.354 8.100 -23.131 1.00 73.32 C ATOM 1024 CG GLN A 65 -6.924 8.734 -24.389 1.00 40.43 C ATOM 1025 CD GLN A 65 -5.883 9.505 -25.177 1.00 10.30 C ATOM 1026 OE1 GLN A 65 -5.016 8.916 -25.824 1.00 12.23 O ATOM 1027 NE2 GLN A 65 -5.962 10.830 -25.127 1.00 63.33 N ATOM 0 H GLN A 65 -5.922 6.338 -21.441 1.00 54.23 H new ATOM 0 HA GLN A 65 -7.660 8.424 -21.456 1.00 4.31 H new ATOM 0 HB2 GLN A 65 -5.712 8.823 -22.628 1.00 73.32 H new ATOM 0 HB3 GLN A 65 -5.724 7.256 -23.413 1.00 73.32 H new ATOM 0 HG2 GLN A 65 -7.351 7.956 -25.022 1.00 40.43 H new ATOM 0 HG3 GLN A 65 -7.738 9.405 -24.116 1.00 40.43 H new ATOM 0 HE21 GLN A 65 -6.697 11.277 -24.578 1.00 63.33 H new ATOM 0 HE22 GLN A 65 -5.288 11.401 -25.637 1.00 63.33 H new ATOM 1036 N PRO A 66 -8.581 6.250 -23.800 1.00 75.10 N ATOM 1037 CA PRO A 66 -9.710 5.777 -24.606 1.00 65.32 C ATOM 1038 C PRO A 66 -10.750 5.039 -23.770 1.00 73.22 C ATOM 1039 O PRO A 66 -11.831 4.707 -24.257 1.00 12.10 O ATOM 1040 CB PRO A 66 -9.056 4.824 -25.609 1.00 62.12 C ATOM 1041 CG PRO A 66 -7.813 4.357 -24.932 1.00 1.44 C ATOM 1042 CD PRO A 66 -7.341 5.511 -24.092 1.00 33.13 C ATOM 0 HA PRO A 66 -10.252 6.601 -25.071 1.00 65.32 H new ATOM 0 HB2 PRO A 66 -9.714 3.989 -25.849 1.00 62.12 H new ATOM 0 HB3 PRO A 66 -8.830 5.331 -26.547 1.00 62.12 H new ATOM 0 HG2 PRO A 66 -8.010 3.480 -24.315 1.00 1.44 H new ATOM 0 HG3 PRO A 66 -7.056 4.070 -25.661 1.00 1.44 H new ATOM 0 HD2 PRO A 66 -6.852 5.170 -23.179 1.00 33.13 H new ATOM 0 HD3 PRO A 66 -6.621 6.130 -24.627 1.00 33.13 H new ATOM 1050 N SER A 67 -10.416 4.785 -22.508 1.00 4.24 N ATOM 1051 CA SER A 67 -11.321 4.083 -21.605 1.00 20.31 C ATOM 1052 C SER A 67 -12.046 5.066 -20.690 1.00 34.52 C ATOM 1053 O SER A 67 -12.978 4.694 -19.976 1.00 42.21 O ATOM 1054 CB SER A 67 -10.547 3.064 -20.767 1.00 61.15 C ATOM 1055 OG SER A 67 -11.413 2.067 -20.249 1.00 54.34 O ATOM 0 H SER A 67 -9.526 5.055 -22.088 1.00 4.24 H new ATOM 0 HA SER A 67 -12.064 3.560 -22.207 1.00 20.31 H new ATOM 0 HB2 SER A 67 -9.774 2.597 -21.378 1.00 61.15 H new ATOM 0 HB3 SER A 67 -10.041 3.573 -19.947 1.00 61.15 H new ATOM 0 HG SER A 67 -12.258 2.078 -20.745 1.00 54.34 H new ATOM 1061 N LEU A 68 -11.611 6.321 -20.717 1.00 73.22 N ATOM 1062 CA LEU A 68 -12.218 7.358 -19.890 1.00 55.11 C ATOM 1063 C LEU A 68 -13.725 7.419 -20.113 1.00 11.11 C ATOM 1064 O LEU A 68 -14.467 7.913 -19.264 1.00 32.32 O ATOM 1065 CB LEU A 68 -11.589 8.718 -20.202 1.00 72.12 C ATOM 1066 CG LEU A 68 -10.244 9.004 -19.533 1.00 53.21 C ATOM 1067 CD1 LEU A 68 -9.491 10.087 -20.291 1.00 44.22 C ATOM 1068 CD2 LEU A 68 -10.446 9.409 -18.080 1.00 5.34 C ATOM 0 H LEU A 68 -10.841 6.645 -21.302 1.00 73.22 H new ATOM 0 HA LEU A 68 -12.034 7.110 -18.845 1.00 55.11 H new ATOM 0 HB2 LEU A 68 -11.459 8.797 -21.281 1.00 72.12 H new ATOM 0 HB3 LEU A 68 -12.292 9.497 -19.907 1.00 72.12 H new ATOM 0 HG LEU A 68 -9.647 8.092 -19.555 1.00 53.21 H new ATOM 0 HD11 LEU A 68 -8.536 10.277 -19.801 1.00 44.22 H new ATOM 0 HD12 LEU A 68 -9.314 9.758 -21.315 1.00 44.22 H new ATOM 0 HD13 LEU A 68 -10.083 11.002 -20.301 1.00 44.22 H new ATOM 0 HD21 LEU A 68 -9.478 9.609 -17.620 1.00 5.34 H new ATOM 0 HD22 LEU A 68 -11.061 10.308 -18.035 1.00 5.34 H new ATOM 0 HD23 LEU A 68 -10.943 8.601 -17.543 1.00 5.34 H new ATOM 1080 N GLN A 69 -14.170 6.913 -21.258 1.00 20.42 N ATOM 1081 CA GLN A 69 -15.590 6.908 -21.590 1.00 34.23 C ATOM 1082 C GLN A 69 -16.229 5.570 -21.233 1.00 10.44 C ATOM 1083 O GLN A 69 -17.334 5.522 -20.692 1.00 34.35 O ATOM 1084 CB GLN A 69 -15.787 7.200 -23.079 1.00 24.11 C ATOM 1085 CG GLN A 69 -17.239 7.440 -23.464 1.00 53.40 C ATOM 1086 CD GLN A 69 -17.627 6.731 -24.746 1.00 14.33 C ATOM 1087 OE1 GLN A 69 -18.517 5.881 -24.754 1.00 32.33 O ATOM 1088 NE2 GLN A 69 -16.959 7.078 -25.840 1.00 34.14 N ATOM 0 H GLN A 69 -13.568 6.501 -21.971 1.00 20.42 H new ATOM 0 HA GLN A 69 -16.077 7.689 -21.006 1.00 34.23 H new ATOM 0 HB2 GLN A 69 -15.198 8.076 -23.350 1.00 24.11 H new ATOM 0 HB3 GLN A 69 -15.399 6.363 -23.660 1.00 24.11 H new ATOM 0 HG2 GLN A 69 -17.886 7.101 -22.655 1.00 53.40 H new ATOM 0 HG3 GLN A 69 -17.408 8.511 -23.580 1.00 53.40 H new ATOM 0 HE21 GLN A 69 -16.228 7.788 -25.788 1.00 34.14 H new ATOM 0 HE22 GLN A 69 -17.177 6.635 -26.732 1.00 34.14 H new ATOM 1097 N THR A 70 -15.526 4.484 -21.540 1.00 24.51 N ATOM 1098 CA THR A 70 -16.025 3.145 -21.253 1.00 10.22 C ATOM 1099 C THR A 70 -15.970 2.846 -19.759 1.00 23.00 C ATOM 1100 O THR A 70 -16.524 1.850 -19.295 1.00 3.30 O ATOM 1101 CB THR A 70 -15.219 2.072 -22.010 1.00 63.44 C ATOM 1102 OG1 THR A 70 -13.827 2.196 -21.701 1.00 10.11 O ATOM 1103 CG2 THR A 70 -15.425 2.198 -23.511 1.00 52.50 C ATOM 0 H THR A 70 -14.610 4.506 -21.987 1.00 24.51 H new ATOM 0 HA THR A 70 -17.062 3.115 -21.588 1.00 10.22 H new ATOM 0 HB THR A 70 -15.574 1.092 -21.693 1.00 63.44 H new ATOM 0 HG1 THR A 70 -13.322 1.509 -22.185 1.00 10.11 H new ATOM 0 HG21 THR A 70 -14.846 1.430 -24.023 1.00 52.50 H new ATOM 0 HG22 THR A 70 -16.482 2.072 -23.745 1.00 52.50 H new ATOM 0 HG23 THR A 70 -15.095 3.183 -23.842 1.00 52.50 H new ATOM 1111 N GLY A 71 -15.299 3.715 -19.010 1.00 12.42 N ATOM 1112 CA GLY A 71 -15.185 3.527 -17.577 1.00 43.25 C ATOM 1113 C GLY A 71 -15.963 4.565 -16.791 1.00 20.10 C ATOM 1114 O GLY A 71 -16.336 5.608 -17.328 1.00 74.33 O ATOM 0 H GLY A 71 -14.832 4.547 -19.371 1.00 12.42 H new ATOM 0 HA2 GLY A 71 -15.545 2.532 -17.315 1.00 43.25 H new ATOM 0 HA3 GLY A 71 -14.134 3.571 -17.290 1.00 43.25 H new ATOM 1118 N SER A 72 -16.212 4.277 -15.518 1.00 74.21 N ATOM 1119 CA SER A 72 -16.956 5.191 -14.659 1.00 0.44 C ATOM 1120 C SER A 72 -16.040 6.272 -14.093 1.00 53.13 C ATOM 1121 O SER A 72 -14.937 6.490 -14.593 1.00 23.53 O ATOM 1122 CB SER A 72 -17.624 4.422 -13.517 1.00 73.02 C ATOM 1123 OG SER A 72 -16.712 4.193 -12.456 1.00 22.14 O ATOM 0 H SER A 72 -15.910 3.418 -15.058 1.00 74.21 H new ATOM 0 HA SER A 72 -17.726 5.672 -15.262 1.00 0.44 H new ATOM 0 HB2 SER A 72 -18.482 4.984 -13.149 1.00 73.02 H new ATOM 0 HB3 SER A 72 -18.002 3.469 -13.888 1.00 73.02 H new ATOM 0 HG SER A 72 -17.163 3.702 -11.738 1.00 22.14 H new ATOM 1129 N GLU A 73 -16.506 6.946 -13.046 1.00 64.12 N ATOM 1130 CA GLU A 73 -15.730 8.005 -12.412 1.00 63.25 C ATOM 1131 C GLU A 73 -14.469 7.440 -11.763 1.00 44.11 C ATOM 1132 O GLU A 73 -13.513 8.170 -11.505 1.00 71.33 O ATOM 1133 CB GLU A 73 -16.576 8.730 -11.364 1.00 54.21 C ATOM 1134 CG GLU A 73 -17.524 9.760 -11.954 1.00 45.01 C ATOM 1135 CD GLU A 73 -16.821 11.046 -12.342 1.00 34.10 C ATOM 1136 OE1 GLU A 73 -15.751 11.334 -11.765 1.00 41.10 O ATOM 1137 OE2 GLU A 73 -17.340 11.764 -13.221 1.00 13.44 O ATOM 0 H GLU A 73 -17.417 6.777 -12.619 1.00 64.12 H new ATOM 0 HA GLU A 73 -15.434 8.716 -13.183 1.00 63.25 H new ATOM 0 HB2 GLU A 73 -17.154 7.995 -10.804 1.00 54.21 H new ATOM 0 HB3 GLU A 73 -15.914 9.223 -10.653 1.00 54.21 H new ATOM 0 HG2 GLU A 73 -18.012 9.338 -12.833 1.00 45.01 H new ATOM 0 HG3 GLU A 73 -18.308 9.983 -11.230 1.00 45.01 H new ATOM 1144 N GLU A 74 -14.479 6.137 -11.500 1.00 71.10 N ATOM 1145 CA GLU A 74 -13.337 5.476 -10.879 1.00 34.34 C ATOM 1146 C GLU A 74 -12.097 5.588 -11.762 1.00 44.32 C ATOM 1147 O GLU A 74 -11.001 5.878 -11.278 1.00 21.24 O ATOM 1148 CB GLU A 74 -13.655 4.003 -10.614 1.00 30.30 C ATOM 1149 CG GLU A 74 -13.563 3.614 -9.148 1.00 23.14 C ATOM 1150 CD GLU A 74 -14.845 3.896 -8.388 1.00 11.22 C ATOM 1151 OE1 GLU A 74 -15.639 4.738 -8.858 1.00 24.21 O ATOM 1152 OE2 GLU A 74 -15.053 3.277 -7.325 1.00 61.43 O ATOM 0 H GLU A 74 -15.264 5.519 -11.707 1.00 71.10 H new ATOM 0 HA GLU A 74 -13.133 5.974 -9.931 1.00 34.34 H new ATOM 0 HB2 GLU A 74 -14.660 3.786 -10.976 1.00 30.30 H new ATOM 0 HB3 GLU A 74 -12.968 3.383 -11.190 1.00 30.30 H new ATOM 0 HG2 GLU A 74 -13.326 2.553 -9.072 1.00 23.14 H new ATOM 0 HG3 GLU A 74 -12.742 4.159 -8.682 1.00 23.14 H new ATOM 1159 N LEU A 75 -12.277 5.357 -13.058 1.00 52.34 N ATOM 1160 CA LEU A 75 -11.173 5.433 -14.008 1.00 23.44 C ATOM 1161 C LEU A 75 -10.758 6.881 -14.247 1.00 21.32 C ATOM 1162 O LEU A 75 -9.631 7.153 -14.662 1.00 22.53 O ATOM 1163 CB LEU A 75 -11.571 4.779 -15.333 1.00 22.15 C ATOM 1164 CG LEU A 75 -10.433 4.517 -16.321 1.00 51.51 C ATOM 1165 CD1 LEU A 75 -10.349 3.036 -16.658 1.00 1.51 C ATOM 1166 CD2 LEU A 75 -10.622 5.344 -17.585 1.00 64.05 C ATOM 0 H LEU A 75 -13.176 5.116 -13.475 1.00 52.34 H new ATOM 0 HA LEU A 75 -10.323 4.897 -13.585 1.00 23.44 H new ATOM 0 HB2 LEU A 75 -12.061 3.830 -15.114 1.00 22.15 H new ATOM 0 HB3 LEU A 75 -12.310 5.414 -15.821 1.00 22.15 H new ATOM 0 HG LEU A 75 -9.495 4.816 -15.853 1.00 51.51 H new ATOM 0 HD11 LEU A 75 -9.534 2.869 -17.362 1.00 1.51 H new ATOM 0 HD12 LEU A 75 -10.165 2.466 -15.748 1.00 1.51 H new ATOM 0 HD13 LEU A 75 -11.288 2.711 -17.106 1.00 1.51 H new ATOM 0 HD21 LEU A 75 -9.803 5.145 -18.276 1.00 64.05 H new ATOM 0 HD22 LEU A 75 -11.568 5.077 -18.056 1.00 64.05 H new ATOM 0 HD23 LEU A 75 -10.631 6.403 -17.329 1.00 64.05 H new ATOM 1178 N ARG A 76 -11.674 7.806 -13.981 1.00 73.15 N ATOM 1179 CA ARG A 76 -11.402 9.226 -14.165 1.00 70.35 C ATOM 1180 C ARG A 76 -10.362 9.716 -13.160 1.00 23.22 C ATOM 1181 O ARG A 76 -9.424 10.426 -13.519 1.00 32.44 O ATOM 1182 CB ARG A 76 -12.691 10.037 -14.017 1.00 0.15 C ATOM 1183 CG ARG A 76 -13.414 10.276 -15.334 1.00 53.14 C ATOM 1184 CD ARG A 76 -13.870 11.720 -15.464 1.00 34.02 C ATOM 1185 NE ARG A 76 -13.048 12.470 -16.412 1.00 24.23 N ATOM 1186 CZ ARG A 76 -13.177 12.375 -17.731 1.00 64.03 C ATOM 1187 NH1 ARG A 76 -14.090 11.568 -18.255 1.00 2.25 N ATOM 1188 NH2 ARG A 76 -12.394 13.089 -18.529 1.00 14.51 N ATOM 0 H ARG A 76 -12.611 7.597 -13.637 1.00 73.15 H new ATOM 0 HA ARG A 76 -11.005 9.367 -15.170 1.00 70.35 H new ATOM 0 HB2 ARG A 76 -13.361 9.517 -13.333 1.00 0.15 H new ATOM 0 HB3 ARG A 76 -12.455 10.999 -13.562 1.00 0.15 H new ATOM 0 HG2 ARG A 76 -12.753 10.026 -16.164 1.00 53.14 H new ATOM 0 HG3 ARG A 76 -14.277 9.613 -15.402 1.00 53.14 H new ATOM 0 HD2 ARG A 76 -14.910 11.744 -15.788 1.00 34.02 H new ATOM 0 HD3 ARG A 76 -13.829 12.203 -14.487 1.00 34.02 H new ATOM 0 HE ARG A 76 -12.337 13.100 -16.041 1.00 24.23 H new ATOM 0 HH11 ARG A 76 -14.695 11.018 -17.645 1.00 2.25 H new ATOM 0 HH12 ARG A 76 -14.187 11.497 -19.268 1.00 2.25 H new ATOM 0 HH21 ARG A 76 -11.692 13.712 -18.130 1.00 14.51 H new ATOM 0 HH22 ARG A 76 -12.494 13.015 -19.541 1.00 14.51 H new ATOM 1202 N SER A 77 -10.538 9.331 -11.900 1.00 22.51 N ATOM 1203 CA SER A 77 -9.619 9.734 -10.843 1.00 31.42 C ATOM 1204 C SER A 77 -8.192 9.301 -11.169 1.00 5.31 C ATOM 1205 O SER A 77 -7.234 10.032 -10.910 1.00 63.54 O ATOM 1206 CB SER A 77 -10.052 9.133 -9.505 1.00 55.04 C ATOM 1207 OG SER A 77 -10.913 8.024 -9.698 1.00 74.24 O ATOM 0 H SER A 77 -11.309 8.741 -11.587 1.00 22.51 H new ATOM 0 HA SER A 77 -9.643 10.821 -10.770 1.00 31.42 H new ATOM 0 HB2 SER A 77 -9.173 8.821 -8.942 1.00 55.04 H new ATOM 0 HB3 SER A 77 -10.559 9.892 -8.909 1.00 55.04 H new ATOM 0 HG SER A 77 -10.502 7.397 -10.329 1.00 74.24 H new ATOM 1213 N LEU A 78 -8.058 8.109 -11.740 1.00 20.04 N ATOM 1214 CA LEU A 78 -6.749 7.577 -12.103 1.00 10.03 C ATOM 1215 C LEU A 78 -6.057 8.481 -13.119 1.00 30.15 C ATOM 1216 O LEU A 78 -4.931 8.926 -12.902 1.00 55.21 O ATOM 1217 CB LEU A 78 -6.891 6.165 -12.673 1.00 31.30 C ATOM 1218 CG LEU A 78 -6.439 5.024 -11.760 1.00 45.43 C ATOM 1219 CD1 LEU A 78 -5.015 5.258 -11.280 1.00 64.15 C ATOM 1220 CD2 LEU A 78 -7.386 4.882 -10.576 1.00 23.14 C ATOM 0 H LEU A 78 -8.840 7.492 -11.962 1.00 20.04 H new ATOM 0 HA LEU A 78 -6.137 7.538 -11.202 1.00 10.03 H new ATOM 0 HB2 LEU A 78 -7.937 6.003 -12.933 1.00 31.30 H new ATOM 0 HB3 LEU A 78 -6.320 6.110 -13.600 1.00 31.30 H new ATOM 0 HG LEU A 78 -6.461 4.096 -12.331 1.00 45.43 H new ATOM 0 HD11 LEU A 78 -4.710 4.437 -10.632 1.00 64.15 H new ATOM 0 HD12 LEU A 78 -4.346 5.310 -12.139 1.00 64.15 H new ATOM 0 HD13 LEU A 78 -4.967 6.195 -10.725 1.00 64.15 H new ATOM 0 HD21 LEU A 78 -7.050 4.066 -9.937 1.00 23.14 H new ATOM 0 HD22 LEU A 78 -7.396 5.810 -10.004 1.00 23.14 H new ATOM 0 HD23 LEU A 78 -8.392 4.668 -10.938 1.00 23.14 H new ATOM 1232 N TYR A 79 -6.740 8.748 -14.227 1.00 32.45 N ATOM 1233 CA TYR A 79 -6.191 9.597 -15.277 1.00 41.23 C ATOM 1234 C TYR A 79 -5.682 10.916 -14.701 1.00 63.31 C ATOM 1235 O TYR A 79 -4.569 11.346 -14.996 1.00 4.12 O ATOM 1236 CB TYR A 79 -7.249 9.870 -16.347 1.00 64.01 C ATOM 1237 CG TYR A 79 -6.672 10.098 -17.726 1.00 24.01 C ATOM 1238 CD1 TYR A 79 -5.844 9.152 -18.318 1.00 2.12 C ATOM 1239 CD2 TYR A 79 -6.953 11.258 -18.436 1.00 45.04 C ATOM 1240 CE1 TYR A 79 -5.314 9.355 -19.577 1.00 11.51 C ATOM 1241 CE2 TYR A 79 -6.430 11.469 -19.696 1.00 14.42 C ATOM 1242 CZ TYR A 79 -5.609 10.515 -20.262 1.00 1.51 C ATOM 1243 OH TYR A 79 -5.084 10.723 -21.517 1.00 20.11 O ATOM 0 H TYR A 79 -7.675 8.389 -14.421 1.00 32.45 H new ATOM 0 HA TYR A 79 -5.351 9.071 -15.732 1.00 41.23 H new ATOM 0 HB2 TYR A 79 -7.940 9.028 -16.386 1.00 64.01 H new ATOM 0 HB3 TYR A 79 -7.830 10.745 -16.056 1.00 64.01 H new ATOM 0 HD1 TYR A 79 -5.611 8.242 -17.784 1.00 2.12 H new ATOM 0 HD2 TYR A 79 -7.592 12.008 -17.995 1.00 45.04 H new ATOM 0 HE1 TYR A 79 -4.672 8.610 -20.023 1.00 11.51 H new ATOM 0 HE2 TYR A 79 -6.662 12.375 -20.236 1.00 14.42 H new ATOM 0 HH TYR A 79 -4.352 10.091 -21.674 1.00 20.11 H new ATOM 1253 N ASN A 80 -6.508 11.551 -13.875 1.00 63.52 N ATOM 1254 CA ASN A 80 -6.144 12.820 -13.256 1.00 22.43 C ATOM 1255 C ASN A 80 -4.791 12.715 -12.558 1.00 11.44 C ATOM 1256 O ASN A 80 -3.862 13.463 -12.866 1.00 15.44 O ATOM 1257 CB ASN A 80 -7.216 13.248 -12.252 1.00 33.53 C ATOM 1258 CG ASN A 80 -8.183 14.260 -12.835 1.00 72.13 C ATOM 1259 OD1 ASN A 80 -8.278 15.390 -12.358 1.00 64.04 O ATOM 1260 ND2 ASN A 80 -8.906 13.856 -13.874 1.00 43.04 N ATOM 0 H ASN A 80 -7.434 11.207 -13.619 1.00 63.52 H new ATOM 0 HA ASN A 80 -6.071 13.572 -14.042 1.00 22.43 H new ATOM 0 HB2 ASN A 80 -7.770 12.370 -11.920 1.00 33.53 H new ATOM 0 HB3 ASN A 80 -6.736 13.674 -11.371 1.00 33.53 H new ATOM 0 HD21 ASN A 80 -9.573 14.493 -14.309 1.00 43.04 H new ATOM 0 HD22 ASN A 80 -8.794 12.909 -14.236 1.00 43.04 H new ATOM 1267 N THR A 81 -4.686 11.783 -11.618 1.00 53.24 N ATOM 1268 CA THR A 81 -3.447 11.581 -10.876 1.00 51.11 C ATOM 1269 C THR A 81 -2.297 11.231 -11.812 1.00 21.44 C ATOM 1270 O THR A 81 -1.304 11.955 -11.889 1.00 23.12 O ATOM 1271 CB THR A 81 -3.598 10.465 -9.826 1.00 75.22 C ATOM 1272 OG1 THR A 81 -4.678 10.770 -8.937 1.00 11.11 O ATOM 1273 CG2 THR A 81 -2.312 10.294 -9.030 1.00 64.02 C ATOM 0 H THR A 81 -5.444 11.155 -11.351 1.00 53.24 H new ATOM 0 HA THR A 81 -3.225 12.520 -10.368 1.00 51.11 H new ATOM 0 HB THR A 81 -3.811 9.532 -10.348 1.00 75.22 H new ATOM 0 HG1 THR A 81 -5.531 10.600 -9.388 1.00 11.11 H new ATOM 0 HG21 THR A 81 -2.442 9.500 -8.294 1.00 64.02 H new ATOM 0 HG22 THR A 81 -1.498 10.032 -9.706 1.00 64.02 H new ATOM 0 HG23 THR A 81 -2.074 11.227 -8.519 1.00 64.02 H new ATOM 1281 N ILE A 82 -2.437 10.117 -12.524 1.00 73.35 N ATOM 1282 CA ILE A 82 -1.409 9.673 -13.457 1.00 71.13 C ATOM 1283 C ILE A 82 -0.948 10.817 -14.353 1.00 10.11 C ATOM 1284 O ILE A 82 0.246 10.982 -14.602 1.00 4.34 O ATOM 1285 CB ILE A 82 -1.912 8.514 -14.339 1.00 52.44 C ATOM 1286 CG1 ILE A 82 -2.323 7.325 -13.469 1.00 24.31 C ATOM 1287 CG2 ILE A 82 -0.838 8.103 -15.335 1.00 1.32 C ATOM 1288 CD1 ILE A 82 -3.172 6.308 -14.200 1.00 42.33 C ATOM 0 H ILE A 82 -3.252 9.506 -12.472 1.00 73.35 H new ATOM 0 HA ILE A 82 -0.568 9.324 -12.858 1.00 71.13 H new ATOM 0 HB ILE A 82 -2.786 8.852 -14.896 1.00 52.44 H new ATOM 0 HG12 ILE A 82 -1.426 6.834 -13.091 1.00 24.31 H new ATOM 0 HG13 ILE A 82 -2.874 7.692 -12.603 1.00 24.31 H new ATOM 0 HG21 ILE A 82 -1.208 7.283 -15.951 1.00 1.32 H new ATOM 0 HG22 ILE A 82 -0.588 8.952 -15.972 1.00 1.32 H new ATOM 0 HG23 ILE A 82 0.053 7.779 -14.797 1.00 1.32 H new ATOM 0 HD11 ILE A 82 -3.427 5.493 -13.523 1.00 42.33 H new ATOM 0 HD12 ILE A 82 -4.086 6.784 -14.554 1.00 42.33 H new ATOM 0 HD13 ILE A 82 -2.616 5.913 -15.050 1.00 42.33 H new ATOM 1300 N ALA A 83 -1.904 11.606 -14.834 1.00 74.11 N ATOM 1301 CA ALA A 83 -1.596 12.737 -15.699 1.00 45.20 C ATOM 1302 C ALA A 83 -0.549 13.647 -15.064 1.00 63.34 C ATOM 1303 O ALA A 83 0.461 13.975 -15.685 1.00 53.20 O ATOM 1304 CB ALA A 83 -2.861 13.524 -16.010 1.00 64.21 C ATOM 0 H ALA A 83 -2.897 11.482 -14.639 1.00 74.11 H new ATOM 0 HA ALA A 83 -1.184 12.347 -16.630 1.00 45.20 H new ATOM 0 HB1 ALA A 83 -2.616 14.366 -16.657 1.00 64.21 H new ATOM 0 HB2 ALA A 83 -3.578 12.876 -16.514 1.00 64.21 H new ATOM 0 HB3 ALA A 83 -3.296 13.894 -15.082 1.00 64.21 H new ATOM 1310 N VAL A 84 -0.799 14.051 -13.822 1.00 32.11 N ATOM 1311 CA VAL A 84 0.123 14.921 -13.103 1.00 14.01 C ATOM 1312 C VAL A 84 1.505 14.288 -12.992 1.00 72.30 C ATOM 1313 O VAL A 84 2.524 14.954 -13.180 1.00 24.15 O ATOM 1314 CB VAL A 84 -0.397 15.243 -11.690 1.00 52.44 C ATOM 1315 CG1 VAL A 84 0.594 16.122 -10.943 1.00 55.42 C ATOM 1316 CG2 VAL A 84 -1.763 15.909 -11.763 1.00 34.24 C ATOM 0 H VAL A 84 -1.632 13.790 -13.294 1.00 32.11 H new ATOM 0 HA VAL A 84 0.196 15.846 -13.675 1.00 14.01 H new ATOM 0 HB VAL A 84 -0.503 14.308 -11.140 1.00 52.44 H new ATOM 0 HG11 VAL A 84 0.209 16.339 -9.947 1.00 55.42 H new ATOM 0 HG12 VAL A 84 1.549 15.603 -10.858 1.00 55.42 H new ATOM 0 HG13 VAL A 84 0.736 17.055 -11.488 1.00 55.42 H new ATOM 0 HG21 VAL A 84 -2.115 16.129 -10.755 1.00 34.24 H new ATOM 0 HG22 VAL A 84 -1.686 16.836 -12.331 1.00 34.24 H new ATOM 0 HG23 VAL A 84 -2.468 15.239 -12.255 1.00 34.24 H new ATOM 1326 N LEU A 85 1.534 12.995 -12.685 1.00 71.10 N ATOM 1327 CA LEU A 85 2.793 12.269 -12.549 1.00 3.21 C ATOM 1328 C LEU A 85 3.580 12.295 -13.855 1.00 4.13 C ATOM 1329 O LEU A 85 4.742 12.700 -13.883 1.00 24.13 O ATOM 1330 CB LEU A 85 2.526 10.823 -12.129 1.00 23.32 C ATOM 1331 CG LEU A 85 3.647 10.132 -11.353 1.00 73.33 C ATOM 1332 CD1 LEU A 85 3.130 9.605 -10.023 1.00 51.14 C ATOM 1333 CD2 LEU A 85 4.252 9.005 -12.177 1.00 60.23 C ATOM 0 H LEU A 85 0.701 12.428 -12.526 1.00 71.10 H new ATOM 0 HA LEU A 85 3.387 12.761 -11.779 1.00 3.21 H new ATOM 0 HB2 LEU A 85 1.623 10.804 -11.518 1.00 23.32 H new ATOM 0 HB3 LEU A 85 2.317 10.238 -13.025 1.00 23.32 H new ATOM 0 HG LEU A 85 4.427 10.866 -11.151 1.00 73.33 H new ATOM 0 HD11 LEU A 85 3.942 9.116 -9.485 1.00 51.14 H new ATOM 0 HD12 LEU A 85 2.747 10.434 -9.427 1.00 51.14 H new ATOM 0 HD13 LEU A 85 2.330 8.887 -10.202 1.00 51.14 H new ATOM 0 HD21 LEU A 85 5.048 8.525 -11.608 1.00 60.23 H new ATOM 0 HD22 LEU A 85 3.481 8.271 -12.412 1.00 60.23 H new ATOM 0 HD23 LEU A 85 4.661 9.410 -13.103 1.00 60.23 H new ATOM 1345 N TYR A 86 2.938 11.862 -14.935 1.00 1.25 N ATOM 1346 CA TYR A 86 3.578 11.835 -16.245 1.00 3.42 C ATOM 1347 C TYR A 86 4.231 13.178 -16.560 1.00 2.41 C ATOM 1348 O TYR A 86 5.383 13.235 -16.991 1.00 13.03 O ATOM 1349 CB TYR A 86 2.556 11.486 -17.328 1.00 33.34 C ATOM 1350 CG TYR A 86 3.066 11.704 -18.735 1.00 43.14 C ATOM 1351 CD1 TYR A 86 4.045 10.879 -19.276 1.00 65.14 C ATOM 1352 CD2 TYR A 86 2.569 12.734 -19.522 1.00 2.24 C ATOM 1353 CE1 TYR A 86 4.513 11.074 -20.560 1.00 55.51 C ATOM 1354 CE2 TYR A 86 3.031 12.937 -20.809 1.00 10.51 C ATOM 1355 CZ TYR A 86 4.004 12.105 -21.323 1.00 53.44 C ATOM 1356 OH TYR A 86 4.468 12.303 -22.603 1.00 71.32 O ATOM 0 H TYR A 86 1.975 11.525 -14.929 1.00 1.25 H new ATOM 0 HA TYR A 86 4.354 11.069 -16.227 1.00 3.42 H new ATOM 0 HB2 TYR A 86 2.261 10.443 -17.215 1.00 33.34 H new ATOM 0 HB3 TYR A 86 1.660 12.088 -17.178 1.00 33.34 H new ATOM 0 HD1 TYR A 86 4.446 10.072 -18.682 1.00 65.14 H new ATOM 0 HD2 TYR A 86 1.808 13.388 -19.122 1.00 2.24 H new ATOM 0 HE1 TYR A 86 5.274 10.423 -20.965 1.00 55.51 H new ATOM 0 HE2 TYR A 86 2.633 13.742 -21.409 1.00 10.51 H new ATOM 0 HH TYR A 86 4.006 13.069 -23.004 1.00 71.32 H new ATOM 1366 N CYS A 87 3.486 14.256 -16.341 1.00 11.12 N ATOM 1367 CA CYS A 87 3.990 15.600 -16.602 1.00 62.40 C ATOM 1368 C CYS A 87 5.324 15.825 -15.897 1.00 41.31 C ATOM 1369 O CYS A 87 6.297 16.262 -16.512 1.00 34.43 O ATOM 1370 CB CYS A 87 2.974 16.646 -16.143 1.00 1.21 C ATOM 1371 SG CYS A 87 1.818 17.167 -17.432 1.00 23.14 S ATOM 0 H CYS A 87 2.531 14.226 -15.983 1.00 11.12 H new ATOM 0 HA CYS A 87 4.145 15.702 -17.676 1.00 62.40 H new ATOM 0 HB2 CYS A 87 2.408 16.243 -15.303 1.00 1.21 H new ATOM 0 HB3 CYS A 87 3.510 17.521 -15.775 1.00 1.21 H new ATOM 0 HG CYS A 87 0.997 18.051 -16.947 1.00 23.14 H new ATOM 1377 N VAL A 88 5.361 15.527 -14.603 1.00 53.52 N ATOM 1378 CA VAL A 88 6.575 15.699 -13.813 1.00 33.52 C ATOM 1379 C VAL A 88 7.754 14.976 -14.455 1.00 33.42 C ATOM 1380 O VAL A 88 8.860 15.515 -14.533 1.00 61.40 O ATOM 1381 CB VAL A 88 6.389 15.176 -12.376 1.00 14.13 C ATOM 1382 CG1 VAL A 88 7.649 15.406 -11.557 1.00 35.21 C ATOM 1383 CG2 VAL A 88 5.188 15.841 -11.720 1.00 51.33 C ATOM 0 H VAL A 88 4.564 15.165 -14.079 1.00 53.52 H new ATOM 0 HA VAL A 88 6.781 16.769 -13.779 1.00 33.52 H new ATOM 0 HB VAL A 88 6.204 14.103 -12.419 1.00 14.13 H new ATOM 0 HG11 VAL A 88 7.499 15.030 -10.545 1.00 35.21 H new ATOM 0 HG12 VAL A 88 8.484 14.880 -12.019 1.00 35.21 H new ATOM 0 HG13 VAL A 88 7.869 16.473 -11.519 1.00 35.21 H new ATOM 0 HG21 VAL A 88 5.071 15.460 -10.705 1.00 51.33 H new ATOM 0 HG22 VAL A 88 5.342 16.920 -11.687 1.00 51.33 H new ATOM 0 HG23 VAL A 88 4.290 15.620 -12.297 1.00 51.33 H new ATOM 1393 N HIS A 89 7.513 13.753 -14.917 1.00 42.05 N ATOM 1394 CA HIS A 89 8.554 12.955 -15.555 1.00 73.14 C ATOM 1395 C HIS A 89 9.110 13.671 -16.783 1.00 64.32 C ATOM 1396 O HIS A 89 10.316 13.560 -17.003 1.00 3.24 O ATOM 1397 CB HIS A 89 8.005 11.585 -15.953 1.00 73.13 C ATOM 1398 CG HIS A 89 7.790 10.665 -14.790 1.00 23.25 C ATOM 1399 ND1 HIS A 89 8.518 10.744 -13.623 1.00 10.40 N ATOM 1400 CD2 HIS A 89 6.921 9.641 -14.621 1.00 65.34 C ATOM 1401 CE1 HIS A 89 8.106 9.808 -12.785 1.00 12.43 C ATOM 1402 NE2 HIS A 89 7.137 9.126 -13.367 1.00 53.41 N ATOM 0 H HIS A 89 6.605 13.293 -14.861 1.00 42.05 H new ATOM 0 HA HIS A 89 9.364 12.818 -14.838 1.00 73.14 H new ATOM 0 HB2 HIS A 89 7.060 11.720 -16.478 1.00 73.13 H new ATOM 0 HB3 HIS A 89 8.695 11.116 -16.654 1.00 73.13 H new ATOM 0 HD1 HIS A 89 9.259 11.419 -13.435 1.00 10.40 H new ATOM 0 HD2 HIS A 89 6.193 9.294 -15.339 1.00 65.34 H new ATOM 0 HE1 HIS A 89 8.496 9.631 -11.793 1.00 12.43 H new ATOM 0 HE2 HIS A 89 6.631 8.343 -12.952 1.00 53.41 H new ATOM 1411 N GLN A 90 8.292 14.375 -17.558 1.00 32.25 N ATOM 1412 CA GLN A 90 8.778 15.074 -18.742 1.00 31.23 C ATOM 1413 C GLN A 90 9.177 16.506 -18.404 1.00 43.25 C ATOM 1414 O GLN A 90 9.062 17.406 -19.236 1.00 12.01 O ATOM 1415 CB GLN A 90 7.707 15.074 -19.836 1.00 53.53 C ATOM 1416 CG GLN A 90 7.657 13.785 -20.638 1.00 65.40 C ATOM 1417 CD GLN A 90 7.714 14.025 -22.134 1.00 41.41 C ATOM 1418 OE1 GLN A 90 6.977 14.852 -22.670 1.00 43.02 O ATOM 1419 NE2 GLN A 90 8.595 13.302 -22.816 1.00 3.35 N ATOM 0 H GLN A 90 7.291 14.477 -17.388 1.00 32.25 H new ATOM 0 HA GLN A 90 9.660 14.548 -19.107 1.00 31.23 H new ATOM 0 HB2 GLN A 90 6.733 15.246 -19.379 1.00 53.53 H new ATOM 0 HB3 GLN A 90 7.892 15.907 -20.514 1.00 53.53 H new ATOM 0 HG2 GLN A 90 8.490 13.147 -20.344 1.00 65.40 H new ATOM 0 HG3 GLN A 90 6.741 13.246 -20.395 1.00 65.40 H new ATOM 0 HE21 GLN A 90 9.186 12.627 -22.330 1.00 3.35 H new ATOM 0 HE22 GLN A 90 8.680 13.421 -23.825 1.00 3.35 H new ATOM 1428 N ARG A 91 9.644 16.710 -17.177 1.00 74.14 N ATOM 1429 CA ARG A 91 10.059 18.034 -16.728 1.00 42.45 C ATOM 1430 C ARG A 91 8.939 19.051 -16.929 1.00 13.13 C ATOM 1431 O ARG A 91 9.193 20.210 -17.257 1.00 4.51 O ATOM 1432 CB ARG A 91 11.312 18.482 -17.481 1.00 40.44 C ATOM 1433 CG ARG A 91 12.373 19.100 -16.584 1.00 45.42 C ATOM 1434 CD ARG A 91 12.872 20.424 -17.142 1.00 1.24 C ATOM 1435 NE ARG A 91 13.777 21.102 -16.219 1.00 74.14 N ATOM 1436 CZ ARG A 91 15.050 20.760 -16.052 1.00 30.42 C ATOM 1437 NH1 ARG A 91 15.566 19.754 -16.746 1.00 4.54 N ATOM 1438 NH2 ARG A 91 15.810 21.424 -15.192 1.00 0.53 N ATOM 0 H ARG A 91 9.745 15.976 -16.476 1.00 74.14 H new ATOM 0 HA ARG A 91 10.286 17.975 -15.664 1.00 42.45 H new ATOM 0 HB2 ARG A 91 11.741 17.624 -17.999 1.00 40.44 H new ATOM 0 HB3 ARG A 91 11.027 19.206 -18.245 1.00 40.44 H new ATOM 0 HG2 ARG A 91 11.962 19.256 -15.587 1.00 45.42 H new ATOM 0 HG3 ARG A 91 13.210 18.409 -16.479 1.00 45.42 H new ATOM 0 HD2 ARG A 91 13.384 20.248 -18.088 1.00 1.24 H new ATOM 0 HD3 ARG A 91 12.021 21.071 -17.356 1.00 1.24 H new ATOM 0 HE ARG A 91 13.412 21.882 -15.672 1.00 74.14 H new ATOM 0 HH11 ARG A 91 14.985 19.241 -17.409 1.00 4.54 H new ATOM 0 HH12 ARG A 91 16.544 19.493 -16.616 1.00 4.54 H new ATOM 0 HH21 ARG A 91 15.418 22.199 -14.657 1.00 0.53 H new ATOM 0 HH22 ARG A 91 16.787 21.160 -15.065 1.00 0.53 H new ATOM 1452 N ILE A 92 7.702 18.609 -16.731 1.00 73.24 N ATOM 1453 CA ILE A 92 6.545 19.481 -16.890 1.00 12.53 C ATOM 1454 C ILE A 92 5.968 19.883 -15.537 1.00 11.24 C ATOM 1455 O ILE A 92 5.466 19.043 -14.792 1.00 42.14 O ATOM 1456 CB ILE A 92 5.441 18.805 -17.725 1.00 33.34 C ATOM 1457 CG1 ILE A 92 6.041 18.167 -18.981 1.00 44.50 C ATOM 1458 CG2 ILE A 92 4.366 19.815 -18.100 1.00 75.10 C ATOM 1459 CD1 ILE A 92 5.016 17.483 -19.859 1.00 12.32 C ATOM 0 H ILE A 92 7.475 17.652 -16.460 1.00 73.24 H new ATOM 0 HA ILE A 92 6.892 20.372 -17.413 1.00 12.53 H new ATOM 0 HB ILE A 92 4.981 18.020 -17.125 1.00 33.34 H new ATOM 0 HG12 ILE A 92 6.550 18.936 -19.562 1.00 44.50 H new ATOM 0 HG13 ILE A 92 6.797 17.440 -18.684 1.00 44.50 H new ATOM 0 HG21 ILE A 92 3.593 19.322 -18.690 1.00 75.10 H new ATOM 0 HG22 ILE A 92 3.923 20.228 -17.194 1.00 75.10 H new ATOM 0 HG23 ILE A 92 4.811 20.620 -18.685 1.00 75.10 H new ATOM 0 HD11 ILE A 92 5.511 17.054 -20.730 1.00 12.32 H new ATOM 0 HD12 ILE A 92 4.524 16.691 -19.294 1.00 12.32 H new ATOM 0 HD13 ILE A 92 4.273 18.211 -20.186 1.00 12.32 H new ATOM 1471 N ASP A 93 6.043 21.172 -15.228 1.00 41.41 N ATOM 1472 CA ASP A 93 5.527 21.687 -13.965 1.00 43.23 C ATOM 1473 C ASP A 93 4.195 22.401 -14.174 1.00 63.33 C ATOM 1474 O ASP A 93 4.105 23.359 -14.943 1.00 71.25 O ATOM 1475 CB ASP A 93 6.536 22.642 -13.327 1.00 42.42 C ATOM 1476 CG ASP A 93 5.953 23.402 -12.152 1.00 30.33 C ATOM 1477 OD1 ASP A 93 5.101 22.829 -11.439 1.00 0.11 O ATOM 1478 OD2 ASP A 93 6.347 24.568 -11.945 1.00 74.44 O ATOM 0 H ASP A 93 6.456 21.880 -15.835 1.00 41.41 H new ATOM 0 HA ASP A 93 5.366 20.842 -13.296 1.00 43.23 H new ATOM 0 HB2 ASP A 93 7.406 22.077 -12.994 1.00 42.42 H new ATOM 0 HB3 ASP A 93 6.885 23.351 -14.077 1.00 42.42 H new ATOM 1483 N VAL A 94 3.160 21.928 -13.485 1.00 14.05 N ATOM 1484 CA VAL A 94 1.833 22.520 -13.595 1.00 72.20 C ATOM 1485 C VAL A 94 1.399 23.146 -12.275 1.00 54.32 C ATOM 1486 O VAL A 94 1.966 22.855 -11.221 1.00 13.22 O ATOM 1487 CB VAL A 94 0.785 21.475 -14.023 1.00 11.22 C ATOM 1488 CG1 VAL A 94 1.137 20.894 -15.385 1.00 63.20 C ATOM 1489 CG2 VAL A 94 0.672 20.376 -12.978 1.00 74.40 C ATOM 0 H VAL A 94 3.216 21.136 -12.845 1.00 14.05 H new ATOM 0 HA VAL A 94 1.896 23.295 -14.359 1.00 72.20 H new ATOM 0 HB VAL A 94 -0.184 21.968 -14.104 1.00 11.22 H new ATOM 0 HG11 VAL A 94 0.386 20.158 -15.672 1.00 63.20 H new ATOM 0 HG12 VAL A 94 1.163 21.693 -16.126 1.00 63.20 H new ATOM 0 HG13 VAL A 94 2.115 20.414 -15.334 1.00 63.20 H new ATOM 0 HG21 VAL A 94 -0.073 19.646 -13.296 1.00 74.40 H new ATOM 0 HG22 VAL A 94 1.637 19.883 -12.863 1.00 74.40 H new ATOM 0 HG23 VAL A 94 0.370 20.810 -12.025 1.00 74.40 H new ATOM 1499 N LYS A 95 0.390 24.008 -12.337 1.00 35.32 N ATOM 1500 CA LYS A 95 -0.122 24.675 -11.147 1.00 42.24 C ATOM 1501 C LYS A 95 -0.908 23.703 -10.274 1.00 42.14 C ATOM 1502 O LYS A 95 -0.610 23.535 -9.091 1.00 21.43 O ATOM 1503 CB LYS A 95 -1.011 25.857 -11.542 1.00 62.54 C ATOM 1504 CG LYS A 95 -0.237 27.052 -12.069 1.00 72.11 C ATOM 1505 CD LYS A 95 -1.066 27.866 -13.049 1.00 61.04 C ATOM 1506 CE LYS A 95 -1.523 29.180 -12.434 1.00 21.40 C ATOM 1507 NZ LYS A 95 -0.654 30.316 -12.846 1.00 13.32 N ATOM 0 H LYS A 95 -0.090 24.261 -13.201 1.00 35.32 H new ATOM 0 HA LYS A 95 0.728 25.044 -10.574 1.00 42.24 H new ATOM 0 HB2 LYS A 95 -1.719 25.529 -12.303 1.00 62.54 H new ATOM 0 HB3 LYS A 95 -1.595 26.167 -10.675 1.00 62.54 H new ATOM 0 HG2 LYS A 95 0.068 27.685 -11.236 1.00 72.11 H new ATOM 0 HG3 LYS A 95 0.674 26.709 -12.559 1.00 72.11 H new ATOM 0 HD2 LYS A 95 -0.479 28.067 -13.945 1.00 61.04 H new ATOM 0 HD3 LYS A 95 -1.935 27.287 -13.361 1.00 61.04 H new ATOM 0 HE2 LYS A 95 -2.552 29.383 -12.733 1.00 21.40 H new ATOM 0 HE3 LYS A 95 -1.518 29.094 -11.347 1.00 21.40 H new ATOM 0 HZ1 LYS A 95 -0.998 31.193 -12.406 1.00 13.32 H new ATOM 0 HZ2 LYS A 95 0.323 30.135 -12.539 1.00 13.32 H new ATOM 0 HZ3 LYS A 95 -0.679 30.415 -13.881 1.00 13.32 H new ATOM 1521 N ASP A 96 -1.912 23.064 -10.864 1.00 1.54 N ATOM 1522 CA ASP A 96 -2.740 22.106 -10.141 1.00 50.11 C ATOM 1523 C ASP A 96 -3.120 20.931 -11.037 1.00 70.14 C ATOM 1524 O ASP A 96 -2.697 20.853 -12.191 1.00 73.11 O ATOM 1525 CB ASP A 96 -4.003 22.787 -9.611 1.00 54.42 C ATOM 1526 CG ASP A 96 -4.585 23.777 -10.601 1.00 11.30 C ATOM 1527 OD1 ASP A 96 -5.059 23.338 -11.670 1.00 0.05 O ATOM 1528 OD2 ASP A 96 -4.568 24.990 -10.306 1.00 5.55 O ATOM 0 H ASP A 96 -2.172 23.192 -11.842 1.00 1.54 H new ATOM 0 HA ASP A 96 -2.161 21.727 -9.299 1.00 50.11 H new ATOM 0 HB2 ASP A 96 -4.751 22.029 -9.378 1.00 54.42 H new ATOM 0 HB3 ASP A 96 -3.771 23.303 -8.679 1.00 54.42 H new ATOM 1533 N THR A 97 -3.919 20.016 -10.497 1.00 72.33 N ATOM 1534 CA THR A 97 -4.354 18.844 -11.245 1.00 34.43 C ATOM 1535 C THR A 97 -5.222 19.240 -12.434 1.00 74.11 C ATOM 1536 O THR A 97 -5.519 18.418 -13.301 1.00 2.53 O ATOM 1537 CB THR A 97 -5.142 17.867 -10.352 1.00 70.11 C ATOM 1538 OG1 THR A 97 -4.375 17.539 -9.188 1.00 75.50 O ATOM 1539 CG2 THR A 97 -5.488 16.596 -11.113 1.00 30.10 C ATOM 0 H THR A 97 -4.278 20.065 -9.543 1.00 72.33 H new ATOM 0 HA THR A 97 -3.453 18.349 -11.606 1.00 34.43 H new ATOM 0 HB THR A 97 -6.069 18.354 -10.050 1.00 70.11 H new ATOM 0 HG1 THR A 97 -4.047 16.618 -9.261 1.00 75.50 H new ATOM 0 HG21 THR A 97 -6.044 15.922 -10.462 1.00 30.10 H new ATOM 0 HG22 THR A 97 -6.097 16.846 -11.981 1.00 30.10 H new ATOM 0 HG23 THR A 97 -4.571 16.108 -11.442 1.00 30.10 H new ATOM 1547 N LYS A 98 -5.625 20.506 -12.470 1.00 15.31 N ATOM 1548 CA LYS A 98 -6.457 21.014 -13.554 1.00 33.50 C ATOM 1549 C LYS A 98 -5.601 21.453 -14.738 1.00 60.44 C ATOM 1550 O LYS A 98 -5.739 20.928 -15.842 1.00 21.12 O ATOM 1551 CB LYS A 98 -7.308 22.188 -13.063 1.00 21.33 C ATOM 1552 CG LYS A 98 -8.667 22.275 -13.734 1.00 4.23 C ATOM 1553 CD LYS A 98 -8.583 22.991 -15.073 1.00 44.33 C ATOM 1554 CE LYS A 98 -9.916 23.621 -15.453 1.00 73.12 C ATOM 1555 NZ LYS A 98 -10.652 22.798 -16.451 1.00 4.23 N ATOM 0 H LYS A 98 -5.388 21.199 -11.760 1.00 15.31 H new ATOM 0 HA LYS A 98 -7.114 20.209 -13.883 1.00 33.50 H new ATOM 0 HB2 LYS A 98 -7.449 22.099 -11.986 1.00 21.33 H new ATOM 0 HB3 LYS A 98 -6.766 23.117 -13.237 1.00 21.33 H new ATOM 0 HG2 LYS A 98 -9.066 21.271 -13.881 1.00 4.23 H new ATOM 0 HG3 LYS A 98 -9.363 22.802 -13.081 1.00 4.23 H new ATOM 0 HD2 LYS A 98 -7.815 23.763 -15.027 1.00 44.33 H new ATOM 0 HD3 LYS A 98 -8.279 22.285 -15.846 1.00 44.33 H new ATOM 0 HE2 LYS A 98 -10.528 23.742 -14.560 1.00 73.12 H new ATOM 0 HE3 LYS A 98 -9.744 24.618 -15.860 1.00 73.12 H new ATOM 0 HZ1 LYS A 98 -11.554 23.260 -16.684 1.00 4.23 H new ATOM 0 HZ2 LYS A 98 -10.078 22.703 -17.313 1.00 4.23 H new ATOM 0 HZ3 LYS A 98 -10.838 21.855 -16.054 1.00 4.23 H new ATOM 1569 N GLU A 99 -4.716 22.415 -14.498 1.00 2.34 N ATOM 1570 CA GLU A 99 -3.838 22.923 -15.546 1.00 72.45 C ATOM 1571 C GLU A 99 -2.949 21.810 -16.096 1.00 54.24 C ATOM 1572 O GLU A 99 -2.385 21.932 -17.183 1.00 11.21 O ATOM 1573 CB GLU A 99 -2.972 24.063 -15.008 1.00 75.20 C ATOM 1574 CG GLU A 99 -3.477 25.444 -15.392 1.00 63.32 C ATOM 1575 CD GLU A 99 -2.458 26.239 -16.184 1.00 4.30 C ATOM 1576 OE1 GLU A 99 -1.324 26.407 -15.690 1.00 43.22 O ATOM 1577 OE2 GLU A 99 -2.795 26.694 -17.297 1.00 32.15 O ATOM 0 H GLU A 99 -4.588 22.858 -13.588 1.00 2.34 H new ATOM 0 HA GLU A 99 -4.461 23.302 -16.356 1.00 72.45 H new ATOM 0 HB2 GLU A 99 -2.926 23.991 -13.921 1.00 75.20 H new ATOM 0 HB3 GLU A 99 -1.954 23.941 -15.379 1.00 75.20 H new ATOM 0 HG2 GLU A 99 -4.389 25.342 -15.980 1.00 63.32 H new ATOM 0 HG3 GLU A 99 -3.739 25.995 -14.489 1.00 63.32 H new ATOM 1584 N ALA A 100 -2.828 20.727 -15.336 1.00 24.35 N ATOM 1585 CA ALA A 100 -2.011 19.592 -15.748 1.00 54.23 C ATOM 1586 C ALA A 100 -2.733 18.743 -16.786 1.00 34.44 C ATOM 1587 O ALA A 100 -2.102 18.026 -17.566 1.00 2.21 O ATOM 1588 CB ALA A 100 -1.635 18.747 -14.540 1.00 73.25 C ATOM 0 H ALA A 100 -3.285 20.611 -14.432 1.00 24.35 H new ATOM 0 HA ALA A 100 -1.100 19.979 -16.205 1.00 54.23 H new ATOM 0 HB1 ALA A 100 -1.025 17.903 -14.862 1.00 73.25 H new ATOM 0 HB2 ALA A 100 -1.070 19.354 -13.833 1.00 73.25 H new ATOM 0 HB3 ALA A 100 -2.540 18.378 -14.058 1.00 73.25 H new ATOM 1594 N LEU A 101 -4.058 18.824 -16.792 1.00 4.42 N ATOM 1595 CA LEU A 101 -4.868 18.061 -17.737 1.00 73.23 C ATOM 1596 C LEU A 101 -5.005 18.804 -19.061 1.00 11.14 C ATOM 1597 O LEU A 101 -5.196 18.190 -20.112 1.00 63.25 O ATOM 1598 CB LEU A 101 -6.253 17.788 -17.147 1.00 10.31 C ATOM 1599 CG LEU A 101 -6.386 16.517 -16.307 1.00 51.31 C ATOM 1600 CD1 LEU A 101 -7.628 16.583 -15.431 1.00 54.53 C ATOM 1601 CD2 LEU A 101 -6.429 15.288 -17.204 1.00 42.25 C ATOM 0 H LEU A 101 -4.596 19.410 -16.153 1.00 4.42 H new ATOM 0 HA LEU A 101 -4.366 17.112 -17.925 1.00 73.23 H new ATOM 0 HB2 LEU A 101 -6.537 18.640 -16.529 1.00 10.31 H new ATOM 0 HB3 LEU A 101 -6.971 17.735 -17.966 1.00 10.31 H new ATOM 0 HG LEU A 101 -5.513 16.440 -15.659 1.00 51.31 H new ATOM 0 HD11 LEU A 101 -7.706 15.670 -14.841 1.00 54.53 H new ATOM 0 HD12 LEU A 101 -7.557 17.442 -14.763 1.00 54.53 H new ATOM 0 HD13 LEU A 101 -8.512 16.685 -16.060 1.00 54.53 H new ATOM 0 HD21 LEU A 101 -6.524 14.392 -16.590 1.00 42.25 H new ATOM 0 HD22 LEU A 101 -7.283 15.359 -17.877 1.00 42.25 H new ATOM 0 HD23 LEU A 101 -5.511 15.232 -17.788 1.00 42.25 H new ATOM 1613 N ASP A 102 -4.902 20.127 -19.006 1.00 42.11 N ATOM 1614 CA ASP A 102 -5.011 20.954 -20.202 1.00 70.34 C ATOM 1615 C ASP A 102 -3.690 20.981 -20.965 1.00 54.21 C ATOM 1616 O ASP A 102 -3.666 21.185 -22.179 1.00 31.01 O ATOM 1617 CB ASP A 102 -5.427 22.377 -19.827 1.00 24.04 C ATOM 1618 CG ASP A 102 -6.869 22.673 -20.194 1.00 0.43 C ATOM 1619 OD1 ASP A 102 -7.758 22.418 -19.356 1.00 2.31 O ATOM 1620 OD2 ASP A 102 -7.106 23.162 -21.318 1.00 32.10 O ATOM 0 H ASP A 102 -4.743 20.650 -18.145 1.00 42.11 H new ATOM 0 HA ASP A 102 -5.774 20.519 -20.847 1.00 70.34 H new ATOM 0 HB2 ASP A 102 -5.290 22.522 -18.755 1.00 24.04 H new ATOM 0 HB3 ASP A 102 -4.773 23.089 -20.331 1.00 24.04 H new ATOM 1625 N LYS A 103 -2.592 20.776 -20.245 1.00 43.11 N ATOM 1626 CA LYS A 103 -1.267 20.777 -20.853 1.00 33.13 C ATOM 1627 C LYS A 103 -0.998 19.459 -21.575 1.00 52.15 C ATOM 1628 O LYS A 103 -0.281 19.424 -22.574 1.00 74.01 O ATOM 1629 CB LYS A 103 -0.195 21.015 -19.787 1.00 1.32 C ATOM 1630 CG LYS A 103 1.223 20.972 -20.331 1.00 23.03 C ATOM 1631 CD LYS A 103 2.033 22.173 -19.871 1.00 1.43 C ATOM 1632 CE LYS A 103 1.960 23.312 -20.877 1.00 52.41 C ATOM 1633 NZ LYS A 103 1.571 24.597 -20.232 1.00 23.14 N ATOM 0 H LYS A 103 -2.594 20.607 -19.239 1.00 43.11 H new ATOM 0 HA LYS A 103 -1.230 21.585 -21.584 1.00 33.13 H new ATOM 0 HB2 LYS A 103 -0.367 21.985 -19.321 1.00 1.32 H new ATOM 0 HB3 LYS A 103 -0.298 20.263 -19.005 1.00 1.32 H new ATOM 0 HG2 LYS A 103 1.712 20.055 -20.003 1.00 23.03 H new ATOM 0 HG3 LYS A 103 1.195 20.946 -21.420 1.00 23.03 H new ATOM 0 HD2 LYS A 103 1.662 22.515 -18.905 1.00 1.43 H new ATOM 0 HD3 LYS A 103 3.073 21.879 -19.727 1.00 1.43 H new ATOM 0 HE2 LYS A 103 2.928 23.429 -21.365 1.00 52.41 H new ATOM 0 HE3 LYS A 103 1.239 23.063 -21.656 1.00 52.41 H new ATOM 0 HZ1 LYS A 103 1.532 25.348 -20.950 1.00 23.14 H new ATOM 0 HZ2 LYS A 103 0.636 24.494 -19.788 1.00 23.14 H new ATOM 0 HZ3 LYS A 103 2.273 24.848 -19.506 1.00 23.14 H new ATOM 1647 N ILE A 104 -1.579 18.381 -21.061 1.00 24.54 N ATOM 1648 CA ILE A 104 -1.405 17.063 -21.658 1.00 34.20 C ATOM 1649 C ILE A 104 -2.343 16.867 -22.845 1.00 35.04 C ATOM 1650 O ILE A 104 -2.111 16.011 -23.697 1.00 73.41 O ATOM 1651 CB ILE A 104 -1.653 15.941 -20.632 1.00 43.22 C ATOM 1652 CG1 ILE A 104 -0.692 16.081 -19.450 1.00 63.42 C ATOM 1653 CG2 ILE A 104 -1.501 14.578 -21.289 1.00 1.14 C ATOM 1654 CD1 ILE A 104 -1.060 15.212 -18.267 1.00 71.33 C ATOM 0 H ILE A 104 -2.174 18.394 -20.233 1.00 24.54 H new ATOM 0 HA ILE A 104 -0.372 17.008 -22.001 1.00 34.20 H new ATOM 0 HB ILE A 104 -2.673 16.029 -20.259 1.00 43.22 H new ATOM 0 HG12 ILE A 104 0.315 15.826 -19.779 1.00 63.42 H new ATOM 0 HG13 ILE A 104 -0.669 17.123 -19.132 1.00 63.42 H new ATOM 0 HG21 ILE A 104 -1.679 13.796 -20.551 1.00 1.14 H new ATOM 0 HG22 ILE A 104 -2.223 14.483 -22.100 1.00 1.14 H new ATOM 0 HG23 ILE A 104 -0.492 14.477 -21.688 1.00 1.14 H new ATOM 0 HD11 ILE A 104 -0.336 15.362 -17.466 1.00 71.33 H new ATOM 0 HD12 ILE A 104 -2.055 15.482 -17.912 1.00 71.33 H new ATOM 0 HD13 ILE A 104 -1.055 14.165 -18.569 1.00 71.33 H new ATOM 1666 N GLU A 105 -3.402 17.669 -22.893 1.00 41.21 N ATOM 1667 CA GLU A 105 -4.374 17.585 -23.976 1.00 31.24 C ATOM 1668 C GLU A 105 -3.857 18.288 -25.228 1.00 32.55 C ATOM 1669 O GLU A 105 -4.184 17.900 -26.349 1.00 33.21 O ATOM 1670 CB GLU A 105 -5.706 18.202 -23.545 1.00 5.11 C ATOM 1671 CG GLU A 105 -6.889 17.744 -24.381 1.00 22.24 C ATOM 1672 CD GLU A 105 -7.751 18.898 -24.855 1.00 30.21 C ATOM 1673 OE1 GLU A 105 -7.869 19.895 -24.113 1.00 74.21 O ATOM 1674 OE2 GLU A 105 -8.307 18.804 -25.969 1.00 63.30 O ATOM 0 H GLU A 105 -3.608 18.384 -22.195 1.00 41.21 H new ATOM 0 HA GLU A 105 -4.528 16.532 -24.210 1.00 31.24 H new ATOM 0 HB2 GLU A 105 -5.892 17.951 -22.501 1.00 5.11 H new ATOM 0 HB3 GLU A 105 -5.629 19.288 -23.604 1.00 5.11 H new ATOM 0 HG2 GLU A 105 -6.525 17.189 -25.245 1.00 22.24 H new ATOM 0 HG3 GLU A 105 -7.499 17.057 -23.795 1.00 22.24 H new ATOM 1681 N GLU A 106 -3.047 19.323 -25.027 1.00 65.02 N ATOM 1682 CA GLU A 106 -2.487 20.080 -26.139 1.00 14.12 C ATOM 1683 C GLU A 106 -1.259 19.377 -26.712 1.00 20.22 C ATOM 1684 O GLU A 106 -1.149 19.189 -27.924 1.00 52.45 O ATOM 1685 CB GLU A 106 -2.112 21.493 -25.685 1.00 5.11 C ATOM 1686 CG GLU A 106 -2.258 22.541 -26.776 1.00 13.12 C ATOM 1687 CD GLU A 106 -0.927 23.133 -27.197 1.00 33.41 C ATOM 1688 OE1 GLU A 106 -0.205 22.478 -27.978 1.00 72.24 O ATOM 1689 OE2 GLU A 106 -0.606 24.253 -26.746 1.00 71.23 O ATOM 0 H GLU A 106 -2.765 19.656 -24.105 1.00 65.02 H new ATOM 0 HA GLU A 106 -3.245 20.145 -26.919 1.00 14.12 H new ATOM 0 HB2 GLU A 106 -2.739 21.772 -24.838 1.00 5.11 H new ATOM 0 HB3 GLU A 106 -1.081 21.490 -25.331 1.00 5.11 H new ATOM 0 HG2 GLU A 106 -2.743 22.092 -27.643 1.00 13.12 H new ATOM 0 HG3 GLU A 106 -2.911 23.339 -26.423 1.00 13.12 H new ATOM 1696 N GLU A 107 -0.341 18.991 -25.832 1.00 13.32 N ATOM 1697 CA GLU A 107 0.879 18.310 -26.251 1.00 64.24 C ATOM 1698 C GLU A 107 0.551 17.035 -27.023 1.00 54.42 C ATOM 1699 O GLU A 107 1.268 16.658 -27.950 1.00 13.24 O ATOM 1700 CB GLU A 107 1.745 17.974 -25.035 1.00 51.32 C ATOM 1701 CG GLU A 107 3.191 17.665 -25.386 1.00 41.34 C ATOM 1702 CD GLU A 107 4.071 17.524 -24.159 1.00 74.55 C ATOM 1703 OE1 GLU A 107 4.358 18.553 -23.513 1.00 12.43 O ATOM 1704 OE2 GLU A 107 4.472 16.384 -23.844 1.00 31.40 O ATOM 0 H GLU A 107 -0.418 19.138 -24.826 1.00 13.32 H new ATOM 0 HA GLU A 107 1.433 18.981 -26.908 1.00 64.24 H new ATOM 0 HB2 GLU A 107 1.720 18.812 -24.339 1.00 51.32 H new ATOM 0 HB3 GLU A 107 1.314 17.117 -24.518 1.00 51.32 H new ATOM 0 HG2 GLU A 107 3.231 16.743 -25.966 1.00 41.34 H new ATOM 0 HG3 GLU A 107 3.584 18.458 -26.022 1.00 41.34 H new ATOM 1711 N GLN A 108 -0.534 16.376 -26.633 1.00 22.35 N ATOM 1712 CA GLN A 108 -0.956 15.143 -27.288 1.00 52.20 C ATOM 1713 C GLN A 108 -1.642 15.440 -28.617 1.00 71.41 C ATOM 1714 O GLN A 108 -1.630 14.615 -29.531 1.00 53.33 O ATOM 1715 CB GLN A 108 -1.898 14.354 -26.378 1.00 45.43 C ATOM 1716 CG GLN A 108 -1.178 13.436 -25.404 1.00 2.44 C ATOM 1717 CD GLN A 108 -1.442 11.969 -25.681 1.00 15.01 C ATOM 1718 OE1 GLN A 108 -1.470 11.539 -26.835 1.00 60.04 O ATOM 1719 NE2 GLN A 108 -1.634 11.191 -24.621 1.00 11.34 N ATOM 0 H GLN A 108 -1.137 16.675 -25.867 1.00 22.35 H new ATOM 0 HA GLN A 108 -0.067 14.543 -27.486 1.00 52.20 H new ATOM 0 HB2 GLN A 108 -2.516 15.054 -25.815 1.00 45.43 H new ATOM 0 HB3 GLN A 108 -2.571 13.759 -26.995 1.00 45.43 H new ATOM 0 HG2 GLN A 108 -0.106 13.625 -25.458 1.00 2.44 H new ATOM 0 HG3 GLN A 108 -1.493 13.672 -24.388 1.00 2.44 H new ATOM 0 HE21 GLN A 108 -1.602 11.590 -23.683 1.00 11.34 H new ATOM 0 HE22 GLN A 108 -1.813 10.195 -24.745 1.00 11.34 H new ATOM 1728 N ASN A 109 -2.241 16.621 -28.718 1.00 44.54 N ATOM 1729 CA ASN A 109 -2.934 17.027 -29.935 1.00 71.25 C ATOM 1730 C ASN A 109 -2.010 16.930 -31.145 1.00 73.23 C ATOM 1731 O ASN A 109 -2.438 16.564 -32.240 1.00 42.31 O ATOM 1732 CB ASN A 109 -3.461 18.456 -29.796 1.00 65.34 C ATOM 1733 CG ASN A 109 -4.822 18.636 -30.441 1.00 53.31 C ATOM 1734 OD1 ASN A 109 -4.934 19.196 -31.532 1.00 62.23 O ATOM 1735 ND2 ASN A 109 -5.864 18.160 -29.769 1.00 72.14 N ATOM 0 H ASN A 109 -2.261 17.315 -27.971 1.00 44.54 H new ATOM 0 HA ASN A 109 -3.775 16.350 -30.086 1.00 71.25 H new ATOM 0 HB2 ASN A 109 -3.526 18.715 -28.739 1.00 65.34 H new ATOM 0 HB3 ASN A 109 -2.752 19.148 -30.251 1.00 65.34 H new ATOM 0 HD21 ASN A 109 -6.804 18.251 -30.154 1.00 72.14 H new ATOM 0 HD22 ASN A 109 -5.724 17.703 -28.868 1.00 72.14 H new ATOM 1742 N LYS A 110 -0.740 17.259 -30.939 1.00 12.41 N ATOM 1743 CA LYS A 110 0.248 17.209 -32.011 1.00 64.00 C ATOM 1744 C LYS A 110 0.451 15.777 -32.496 1.00 25.12 C ATOM 1745 O LYS A 110 0.822 15.548 -33.648 1.00 73.04 O ATOM 1746 CB LYS A 110 1.580 17.791 -31.534 1.00 34.50 C ATOM 1747 CG LYS A 110 1.447 19.148 -30.865 1.00 23.23 C ATOM 1748 CD LYS A 110 2.645 20.035 -31.161 1.00 65.53 C ATOM 1749 CE LYS A 110 2.267 21.508 -31.133 1.00 12.10 C ATOM 1750 NZ LYS A 110 1.844 21.997 -32.474 1.00 13.45 N ATOM 0 H LYS A 110 -0.370 17.564 -30.039 1.00 12.41 H new ATOM 0 HA LYS A 110 -0.125 17.807 -32.843 1.00 64.00 H new ATOM 0 HB2 LYS A 110 2.041 17.094 -30.834 1.00 34.50 H new ATOM 0 HB3 LYS A 110 2.254 17.880 -32.386 1.00 34.50 H new ATOM 0 HG2 LYS A 110 0.536 19.637 -31.211 1.00 23.23 H new ATOM 0 HG3 LYS A 110 1.348 19.016 -29.788 1.00 23.23 H new ATOM 0 HD2 LYS A 110 3.430 19.845 -30.428 1.00 65.53 H new ATOM 0 HD3 LYS A 110 3.054 19.782 -32.139 1.00 65.53 H new ATOM 0 HE2 LYS A 110 1.458 21.662 -30.419 1.00 12.10 H new ATOM 0 HE3 LYS A 110 3.117 22.095 -30.784 1.00 12.10 H new ATOM 0 HZ1 LYS A 110 1.595 23.005 -32.413 1.00 13.45 H new ATOM 0 HZ2 LYS A 110 2.624 21.874 -33.150 1.00 13.45 H new ATOM 0 HZ3 LYS A 110 1.017 21.455 -32.796 1.00 13.45 H new ATOM 1764 N SER A 111 0.203 14.816 -31.612 1.00 13.10 N ATOM 1765 CA SER A 111 0.361 13.406 -31.949 1.00 14.11 C ATOM 1766 C SER A 111 -0.997 12.730 -32.105 1.00 65.55 C ATOM 1767 O SER A 111 -1.148 11.542 -31.819 1.00 63.31 O ATOM 1768 CB SER A 111 1.180 12.691 -30.873 1.00 13.44 C ATOM 1769 OG SER A 111 2.398 13.373 -30.622 1.00 1.33 O ATOM 0 H SER A 111 -0.108 14.988 -30.656 1.00 13.10 H new ATOM 0 HA SER A 111 0.890 13.342 -32.900 1.00 14.11 H new ATOM 0 HB2 SER A 111 0.599 12.626 -29.953 1.00 13.44 H new ATOM 0 HB3 SER A 111 1.390 11.670 -31.190 1.00 13.44 H new ATOM 0 HG SER A 111 2.903 12.897 -29.929 1.00 1.33 H new ATOM 1775 N LYS A 112 -1.984 13.494 -32.558 1.00 3.10 N ATOM 1776 CA LYS A 112 -3.331 12.971 -32.754 1.00 64.24 C ATOM 1777 C LYS A 112 -3.484 12.367 -34.146 1.00 42.33 C ATOM 1778 O LYS A 112 -4.218 11.398 -34.337 1.00 62.22 O ATOM 1779 CB LYS A 112 -4.366 14.080 -32.549 1.00 21.43 C ATOM 1780 CG LYS A 112 -5.700 13.578 -32.023 1.00 74.22 C ATOM 1781 CD LYS A 112 -6.241 14.479 -30.926 1.00 23.11 C ATOM 1782 CE LYS A 112 -7.471 13.876 -30.267 1.00 42.45 C ATOM 1783 NZ LYS A 112 -7.111 13.002 -29.115 1.00 1.41 N ATOM 0 H LYS A 112 -1.877 14.480 -32.797 1.00 3.10 H new ATOM 0 HA LYS A 112 -3.499 12.185 -32.017 1.00 64.24 H new ATOM 0 HB2 LYS A 112 -3.964 14.816 -31.853 1.00 21.43 H new ATOM 0 HB3 LYS A 112 -4.529 14.593 -33.497 1.00 21.43 H new ATOM 0 HG2 LYS A 112 -6.419 13.527 -32.841 1.00 74.22 H new ATOM 0 HG3 LYS A 112 -5.583 12.565 -31.638 1.00 74.22 H new ATOM 0 HD2 LYS A 112 -5.468 14.644 -30.175 1.00 23.11 H new ATOM 0 HD3 LYS A 112 -6.492 15.454 -31.345 1.00 23.11 H new ATOM 0 HE2 LYS A 112 -8.128 14.675 -29.925 1.00 42.45 H new ATOM 0 HE3 LYS A 112 -8.030 13.296 -31.002 1.00 42.45 H new ATOM 0 HZ1 LYS A 112 -7.977 12.610 -28.693 1.00 1.41 H new ATOM 0 HZ2 LYS A 112 -6.504 12.225 -29.445 1.00 1.41 H new ATOM 0 HZ3 LYS A 112 -6.600 13.561 -28.402 1.00 1.41 H new ATOM 1797 N LYS A 113 -2.785 12.947 -35.117 1.00 72.32 N ATOM 1798 CA LYS A 113 -2.841 12.465 -36.492 1.00 34.11 C ATOM 1799 C LYS A 113 -2.053 11.168 -36.646 1.00 2.14 C ATOM 1800 O LYS A 113 -2.599 10.143 -37.056 1.00 41.12 O ATOM 1801 CB LYS A 113 -2.290 13.525 -37.448 1.00 53.33 C ATOM 1802 CG LYS A 113 -2.469 13.175 -38.915 1.00 41.42 C ATOM 1803 CD LYS A 113 -2.356 14.405 -39.800 1.00 43.31 C ATOM 1804 CE LYS A 113 -1.531 14.121 -41.045 1.00 20.43 C ATOM 1805 NZ LYS A 113 -1.683 15.191 -42.068 1.00 3.13 N ATOM 0 H LYS A 113 -2.173 13.751 -34.977 1.00 72.32 H new ATOM 0 HA LYS A 113 -3.884 12.268 -36.740 1.00 34.11 H new ATOM 0 HB2 LYS A 113 -2.785 14.475 -37.247 1.00 53.33 H new ATOM 0 HB3 LYS A 113 -1.229 13.669 -37.245 1.00 53.33 H new ATOM 0 HG2 LYS A 113 -1.717 12.443 -39.210 1.00 41.42 H new ATOM 0 HG3 LYS A 113 -3.443 12.708 -39.062 1.00 41.42 H new ATOM 0 HD2 LYS A 113 -3.352 14.738 -40.091 1.00 43.31 H new ATOM 0 HD3 LYS A 113 -1.899 15.219 -39.237 1.00 43.31 H new ATOM 0 HE2 LYS A 113 -0.480 14.028 -40.771 1.00 20.43 H new ATOM 0 HE3 LYS A 113 -1.835 13.165 -41.472 1.00 20.43 H new ATOM 0 HZ1 LYS A 113 -1.105 14.960 -42.901 1.00 3.13 H new ATOM 0 HZ2 LYS A 113 -2.682 15.263 -42.349 1.00 3.13 H new ATOM 0 HZ3 LYS A 113 -1.369 16.099 -41.670 1.00 3.13 H new ATOM 1819 N LYS A 114 -0.768 11.219 -36.315 1.00 73.54 N ATOM 1820 CA LYS A 114 0.095 10.047 -36.414 1.00 12.51 C ATOM 1821 C LYS A 114 -0.508 8.862 -35.668 1.00 4.34 C ATOM 1822 O LYS A 114 -0.353 7.713 -36.081 1.00 54.25 O ATOM 1823 CB LYS A 114 1.484 10.362 -35.853 1.00 34.03 C ATOM 1824 CG LYS A 114 2.576 10.383 -36.909 1.00 41.20 C ATOM 1825 CD LYS A 114 2.861 8.990 -37.444 1.00 62.33 C ATOM 1826 CE LYS A 114 4.229 8.493 -37.004 1.00 54.13 C ATOM 1827 NZ LYS A 114 4.149 7.674 -35.763 1.00 71.12 N ATOM 0 H LYS A 114 -0.300 12.059 -35.976 1.00 73.54 H new ATOM 0 HA LYS A 114 0.186 9.782 -37.468 1.00 12.51 H new ATOM 0 HB2 LYS A 114 1.454 11.331 -35.354 1.00 34.03 H new ATOM 0 HB3 LYS A 114 1.737 9.621 -35.095 1.00 34.03 H new ATOM 0 HG2 LYS A 114 2.277 11.035 -37.730 1.00 41.20 H new ATOM 0 HG3 LYS A 114 3.487 10.804 -36.483 1.00 41.20 H new ATOM 0 HD2 LYS A 114 2.093 8.301 -37.094 1.00 62.33 H new ATOM 0 HD3 LYS A 114 2.809 9.000 -38.533 1.00 62.33 H new ATOM 0 HE2 LYS A 114 4.674 7.899 -37.803 1.00 54.13 H new ATOM 0 HE3 LYS A 114 4.888 9.345 -36.835 1.00 54.13 H new ATOM 0 HZ1 LYS A 114 5.102 7.354 -35.496 1.00 71.12 H new ATOM 0 HZ2 LYS A 114 3.748 8.248 -34.994 1.00 71.12 H new ATOM 0 HZ3 LYS A 114 3.541 6.847 -35.931 1.00 71.12 H new ATOM 1841 N ALA A 115 -1.200 9.150 -34.570 1.00 73.31 N ATOM 1842 CA ALA A 115 -1.830 8.107 -33.769 1.00 53.51 C ATOM 1843 C ALA A 115 -2.817 7.297 -34.602 1.00 31.01 C ATOM 1844 O ALA A 115 -2.901 6.076 -34.467 1.00 41.11 O ATOM 1845 CB ALA A 115 -2.530 8.718 -32.564 1.00 31.32 C ATOM 0 H ALA A 115 -1.338 10.096 -34.215 1.00 73.31 H new ATOM 0 HA ALA A 115 -1.050 7.431 -33.418 1.00 53.51 H new ATOM 0 HB1 ALA A 115 -2.996 7.928 -31.975 1.00 31.32 H new ATOM 0 HB2 ALA A 115 -1.802 9.247 -31.950 1.00 31.32 H new ATOM 0 HB3 ALA A 115 -3.295 9.417 -32.903 1.00 31.32 H new ATOM 1851 N GLN A 116 -3.563 7.983 -35.462 1.00 12.40 N ATOM 1852 CA GLN A 116 -4.545 7.327 -36.315 1.00 23.23 C ATOM 1853 C GLN A 116 -3.881 6.281 -37.205 1.00 0.55 C ATOM 1854 O GLN A 116 -4.459 5.231 -37.481 1.00 2.01 O ATOM 1855 CB GLN A 116 -5.275 8.358 -37.177 1.00 42.31 C ATOM 1856 CG GLN A 116 -6.266 7.744 -38.153 1.00 1.04 C ATOM 1857 CD GLN A 116 -7.339 6.929 -37.460 1.00 43.30 C ATOM 1858 OE1 GLN A 116 -7.077 5.839 -36.952 1.00 74.30 O ATOM 1859 NE2 GLN A 116 -8.559 7.456 -37.434 1.00 71.21 N ATOM 0 H GLN A 116 -3.505 8.994 -35.586 1.00 12.40 H new ATOM 0 HA GLN A 116 -5.268 6.825 -35.672 1.00 23.23 H new ATOM 0 HB2 GLN A 116 -5.803 9.055 -36.526 1.00 42.31 H new ATOM 0 HB3 GLN A 116 -4.540 8.938 -37.735 1.00 42.31 H new ATOM 0 HG2 GLN A 116 -6.736 8.537 -38.734 1.00 1.04 H new ATOM 0 HG3 GLN A 116 -5.730 7.108 -38.857 1.00 1.04 H new ATOM 0 HE21 GLN A 116 -8.732 8.363 -37.868 1.00 71.21 H new ATOM 0 HE22 GLN A 116 -9.322 6.954 -36.980 1.00 71.21 H new ATOM 1868 N GLN A 117 -2.665 6.579 -37.652 1.00 61.43 N ATOM 1869 CA GLN A 117 -1.923 5.664 -38.512 1.00 61.24 C ATOM 1870 C GLN A 117 -1.628 4.354 -37.788 1.00 61.13 C ATOM 1871 O GLN A 117 -1.877 3.271 -38.319 1.00 51.54 O ATOM 1872 CB GLN A 117 -0.616 6.312 -38.972 1.00 64.50 C ATOM 1873 CG GLN A 117 -0.202 5.912 -40.380 1.00 61.42 C ATOM 1874 CD GLN A 117 0.280 7.090 -41.203 1.00 64.33 C ATOM 1875 OE1 GLN A 117 1.472 7.223 -41.480 1.00 63.01 O ATOM 1876 NE2 GLN A 117 -0.647 7.953 -41.600 1.00 5.32 N ATOM 0 H GLN A 117 -2.173 7.446 -37.433 1.00 61.43 H new ATOM 0 HA GLN A 117 -2.539 5.444 -39.384 1.00 61.24 H new ATOM 0 HB2 GLN A 117 -0.722 7.396 -38.927 1.00 64.50 H new ATOM 0 HB3 GLN A 117 0.179 6.040 -38.277 1.00 64.50 H new ATOM 0 HG2 GLN A 117 0.590 5.165 -40.323 1.00 61.42 H new ATOM 0 HG3 GLN A 117 -1.047 5.443 -40.884 1.00 61.42 H new ATOM 0 HE21 GLN A 117 -1.624 7.804 -41.348 1.00 5.32 H new ATOM 0 HE22 GLN A 117 -0.382 8.765 -42.157 1.00 5.32 H new ATOM 1885 N ALA A 118 -1.098 4.461 -36.574 1.00 33.13 N ATOM 1886 CA ALA A 118 -0.770 3.285 -35.778 1.00 2.21 C ATOM 1887 C ALA A 118 -2.032 2.539 -35.356 1.00 11.44 C ATOM 1888 O ALA A 118 -2.064 1.309 -35.349 1.00 51.44 O ATOM 1889 CB ALA A 118 0.042 3.686 -34.555 1.00 24.43 C ATOM 0 H ALA A 118 -0.887 5.350 -36.121 1.00 33.13 H new ATOM 0 HA ALA A 118 -0.171 2.614 -36.394 1.00 2.21 H new ATOM 0 HB1 ALA A 118 0.280 2.798 -33.969 1.00 24.43 H new ATOM 0 HB2 ALA A 118 0.966 4.169 -34.874 1.00 24.43 H new ATOM 0 HB3 ALA A 118 -0.537 4.379 -33.945 1.00 24.43 H new ATOM 1895 N ALA A 119 -3.070 3.292 -35.006 1.00 72.14 N ATOM 1896 CA ALA A 119 -4.334 2.702 -34.584 1.00 22.42 C ATOM 1897 C ALA A 119 -5.148 2.231 -35.785 1.00 3.33 C ATOM 1898 O ALA A 119 -6.208 2.782 -36.082 1.00 12.14 O ATOM 1899 CB ALA A 119 -5.135 3.700 -33.761 1.00 75.21 C ATOM 0 H ALA A 119 -3.060 4.312 -35.007 1.00 72.14 H new ATOM 0 HA ALA A 119 -4.111 1.833 -33.965 1.00 22.42 H new ATOM 0 HB1 ALA A 119 -6.076 3.245 -33.453 1.00 75.21 H new ATOM 0 HB2 ALA A 119 -4.564 3.985 -32.878 1.00 75.21 H new ATOM 0 HB3 ALA A 119 -5.340 4.586 -34.362 1.00 75.21 H new ATOM 1905 N ALA A 120 -4.644 1.212 -36.473 1.00 51.31 N ATOM 1906 CA ALA A 120 -5.325 0.667 -37.641 1.00 41.31 C ATOM 1907 C ALA A 120 -4.847 -0.748 -37.945 1.00 71.10 C ATOM 1908 O ALA A 120 -5.636 -1.692 -37.951 1.00 71.51 O ATOM 1909 CB ALA A 120 -5.109 1.570 -38.846 1.00 4.24 C ATOM 0 H ALA A 120 -3.766 0.747 -36.242 1.00 51.31 H new ATOM 0 HA ALA A 120 -6.392 0.622 -37.421 1.00 41.31 H new ATOM 0 HB1 ALA A 120 -5.623 1.151 -39.711 1.00 4.24 H new ATOM 0 HB2 ALA A 120 -5.507 2.562 -38.633 1.00 4.24 H new ATOM 0 HB3 ALA A 120 -4.042 1.644 -39.058 1.00 4.24 H new ATOM 1915 N ASP A 121 -3.550 -0.888 -38.198 1.00 63.04 N ATOM 1916 CA ASP A 121 -2.966 -2.189 -38.502 1.00 25.05 C ATOM 1917 C ASP A 121 -2.244 -2.758 -37.286 1.00 74.45 C ATOM 1918 O ASP A 121 -1.271 -3.502 -37.420 1.00 72.04 O ATOM 1919 CB ASP A 121 -1.996 -2.073 -39.679 1.00 4.21 C ATOM 1920 CG ASP A 121 -2.708 -1.812 -40.993 1.00 41.52 C ATOM 1921 OD1 ASP A 121 -3.838 -2.314 -41.165 1.00 71.33 O ATOM 1922 OD2 ASP A 121 -2.134 -1.105 -41.849 1.00 63.44 O ATOM 0 H ASP A 121 -2.883 -0.116 -38.199 1.00 63.04 H new ATOM 0 HA ASP A 121 -3.774 -2.869 -38.772 1.00 25.05 H new ATOM 0 HB2 ASP A 121 -1.289 -1.266 -39.485 1.00 4.21 H new ATOM 0 HB3 ASP A 121 -1.416 -2.992 -39.760 1.00 4.21 H new ATOM 1927 N THR A 122 -2.724 -2.404 -36.098 1.00 1.24 N ATOM 1928 CA THR A 122 -2.123 -2.878 -34.858 1.00 1.42 C ATOM 1929 C THR A 122 -3.180 -3.080 -33.777 1.00 14.34 C ATOM 1930 O THR A 122 -4.161 -2.340 -33.710 1.00 63.43 O ATOM 1931 CB THR A 122 -1.056 -1.896 -34.340 1.00 54.25 C ATOM 1932 OG1 THR A 122 -0.084 -1.644 -35.361 1.00 30.14 O ATOM 1933 CG2 THR A 122 -0.366 -2.449 -33.102 1.00 43.21 C ATOM 0 H THR A 122 -3.528 -1.790 -35.969 1.00 1.24 H new ATOM 0 HA THR A 122 -1.648 -3.834 -35.081 1.00 1.42 H new ATOM 0 HB THR A 122 -1.553 -0.963 -34.074 1.00 54.25 H new ATOM 0 HG1 THR A 122 0.590 -1.017 -35.024 1.00 30.14 H new ATOM 0 HG21 THR A 122 0.383 -1.738 -32.755 1.00 43.21 H new ATOM 0 HG22 THR A 122 -1.104 -2.611 -32.316 1.00 43.21 H new ATOM 0 HG23 THR A 122 0.118 -3.395 -33.347 1.00 43.21 H new ATOM 1941 N GLY A 123 -2.970 -4.084 -32.931 1.00 24.33 N ATOM 1942 CA GLY A 123 -3.913 -4.364 -31.864 1.00 25.11 C ATOM 1943 C GLY A 123 -3.814 -5.792 -31.364 1.00 44.44 C ATOM 1944 O GLY A 123 -4.522 -6.675 -31.845 1.00 62.04 O ATOM 0 H GLY A 123 -2.164 -4.708 -32.966 1.00 24.33 H new ATOM 0 HA2 GLY A 123 -3.734 -3.679 -31.036 1.00 25.11 H new ATOM 0 HA3 GLY A 123 -4.926 -4.176 -32.220 1.00 25.11 H new ATOM 1948 N ASN A 124 -2.933 -6.017 -30.395 1.00 64.32 N ATOM 1949 CA ASN A 124 -2.743 -7.348 -29.830 1.00 62.51 C ATOM 1950 C ASN A 124 -2.660 -7.286 -28.307 1.00 34.54 C ATOM 1951 O ASN A 124 -1.865 -7.994 -27.690 1.00 40.54 O ATOM 1952 CB ASN A 124 -1.474 -7.988 -30.395 1.00 73.31 C ATOM 1953 CG ASN A 124 -1.431 -7.945 -31.911 1.00 73.55 C ATOM 1954 OD1 ASN A 124 -2.122 -8.710 -32.584 1.00 42.41 O ATOM 1955 ND2 ASN A 124 -0.616 -7.050 -32.454 1.00 55.22 N ATOM 0 H ASN A 124 -2.340 -5.296 -29.985 1.00 64.32 H new ATOM 0 HA ASN A 124 -3.603 -7.958 -30.105 1.00 62.51 H new ATOM 0 HB2 ASN A 124 -0.601 -7.473 -29.995 1.00 73.31 H new ATOM 0 HB3 ASN A 124 -1.413 -9.024 -30.062 1.00 73.31 H new ATOM 0 HD21 ASN A 124 -0.544 -6.976 -33.469 1.00 55.22 H new ATOM 0 HD22 ASN A 124 -0.062 -6.436 -31.857 1.00 55.22 H new ATOM 1962 N ASN A 125 -3.488 -6.436 -27.710 1.00 51.32 N ATOM 1963 CA ASN A 125 -3.508 -6.281 -26.260 1.00 41.24 C ATOM 1964 C ASN A 125 -4.915 -6.494 -25.709 1.00 10.13 C ATOM 1965 O ASN A 125 -5.112 -7.242 -24.752 1.00 40.53 O ATOM 1966 CB ASN A 125 -2.999 -4.893 -25.867 1.00 71.12 C ATOM 1967 CG ASN A 125 -2.402 -4.869 -24.473 1.00 74.53 C ATOM 1968 OD1 ASN A 125 -3.020 -5.329 -23.513 1.00 72.24 O ATOM 1969 ND2 ASN A 125 -1.193 -4.331 -24.357 1.00 44.22 N ATOM 0 H ASN A 125 -4.154 -5.844 -28.207 1.00 51.32 H new ATOM 0 HA ASN A 125 -2.850 -7.037 -25.830 1.00 41.24 H new ATOM 0 HB2 ASN A 125 -2.248 -4.567 -26.587 1.00 71.12 H new ATOM 0 HB3 ASN A 125 -3.821 -4.179 -25.919 1.00 71.12 H new ATOM 0 HD21 ASN A 125 -0.740 -4.287 -23.444 1.00 44.22 H new ATOM 0 HD22 ASN A 125 -0.718 -3.962 -25.181 1.00 44.22 H new ATOM 1976 N SER A 126 -5.891 -5.831 -26.322 1.00 21.13 N ATOM 1977 CA SER A 126 -7.280 -5.944 -25.893 1.00 71.34 C ATOM 1978 C SER A 126 -8.074 -6.826 -26.851 1.00 3.22 C ATOM 1979 O SER A 126 -8.496 -6.377 -27.918 1.00 61.12 O ATOM 1980 CB SER A 126 -7.922 -4.560 -25.802 1.00 5.23 C ATOM 1981 OG SER A 126 -7.415 -3.833 -24.697 1.00 41.24 O ATOM 0 H SER A 126 -5.745 -5.210 -27.118 1.00 21.13 H new ATOM 0 HA SER A 126 -7.294 -6.407 -24.906 1.00 71.34 H new ATOM 0 HB2 SER A 126 -7.733 -4.007 -26.722 1.00 5.23 H new ATOM 0 HB3 SER A 126 -9.003 -4.663 -25.708 1.00 5.23 H new ATOM 0 HG SER A 126 -7.841 -2.951 -24.663 1.00 41.24 H new ATOM 1987 N GLN A 127 -8.276 -8.080 -26.464 1.00 60.45 N ATOM 1988 CA GLN A 127 -9.019 -9.025 -27.289 1.00 71.21 C ATOM 1989 C GLN A 127 -10.228 -9.571 -26.537 1.00 61.33 C ATOM 1990 O GLN A 127 -10.123 -10.554 -25.802 1.00 43.45 O ATOM 1991 CB GLN A 127 -8.113 -10.177 -27.726 1.00 13.22 C ATOM 1992 CG GLN A 127 -7.307 -10.783 -26.589 1.00 54.24 C ATOM 1993 CD GLN A 127 -5.814 -10.590 -26.764 1.00 14.15 C ATOM 1994 OE1 GLN A 127 -5.332 -9.389 -26.466 1.00 35.10 O flip ATOM 1995 NE2 GLN A 127 -5.100 -11.510 -27.164 1.00 40.34 N flip ATOM 0 H GLN A 127 -7.935 -8.466 -25.584 1.00 60.45 H new ATOM 0 HA GLN A 127 -9.373 -8.495 -28.174 1.00 71.21 H new ATOM 0 HB2 GLN A 127 -8.724 -10.956 -28.182 1.00 13.22 H new ATOM 0 HB3 GLN A 127 -7.428 -9.818 -28.494 1.00 13.22 H new ATOM 0 HG2 GLN A 127 -7.620 -10.333 -25.647 1.00 54.24 H new ATOM 0 HG3 GLN A 127 -7.526 -11.849 -26.521 1.00 54.24 H new ATOM 0 HE21 GLN A 127 -5.512 -12.417 -27.382 1.00 40.34 H new ATOM 0 HE22 GLN A 127 -4.097 -11.365 -27.278 1.00 40.34 H new ATOM 2004 N VAL A 128 -11.376 -8.928 -26.724 1.00 23.43 N ATOM 2005 CA VAL A 128 -12.605 -9.350 -26.064 1.00 42.23 C ATOM 2006 C VAL A 128 -13.833 -8.894 -26.844 1.00 30.12 C ATOM 2007 O VAL A 128 -13.859 -7.792 -27.392 1.00 65.14 O ATOM 2008 CB VAL A 128 -12.689 -8.797 -24.628 1.00 10.02 C ATOM 2009 CG1 VAL A 128 -12.567 -7.281 -24.631 1.00 2.32 C ATOM 2010 CG2 VAL A 128 -13.987 -9.234 -23.964 1.00 70.13 C ATOM 0 H VAL A 128 -11.480 -8.112 -27.328 1.00 23.43 H new ATOM 0 HA VAL A 128 -12.586 -10.439 -26.026 1.00 42.23 H new ATOM 0 HB VAL A 128 -11.858 -9.203 -24.052 1.00 10.02 H new ATOM 0 HG11 VAL A 128 -12.629 -6.909 -23.608 1.00 2.32 H new ATOM 0 HG12 VAL A 128 -11.609 -6.994 -25.064 1.00 2.32 H new ATOM 0 HG13 VAL A 128 -13.376 -6.852 -25.222 1.00 2.32 H new ATOM 0 HG21 VAL A 128 -14.030 -8.835 -22.951 1.00 70.13 H new ATOM 0 HG22 VAL A 128 -14.834 -8.858 -24.538 1.00 70.13 H new ATOM 0 HG23 VAL A 128 -14.028 -10.323 -23.927 1.00 70.13 H new ATOM 2020 N SER A 129 -14.850 -9.750 -26.890 1.00 13.54 N ATOM 2021 CA SER A 129 -16.080 -9.436 -27.607 1.00 4.54 C ATOM 2022 C SER A 129 -17.273 -10.149 -26.976 1.00 32.34 C ATOM 2023 O SER A 129 -17.144 -10.793 -25.935 1.00 15.21 O ATOM 2024 CB SER A 129 -15.953 -9.834 -29.079 1.00 44.54 C ATOM 2025 OG SER A 129 -16.095 -11.235 -29.242 1.00 51.40 O ATOM 0 H SER A 129 -14.846 -10.665 -26.440 1.00 13.54 H new ATOM 0 HA SER A 129 -16.245 -8.361 -27.542 1.00 4.54 H new ATOM 0 HB2 SER A 129 -16.713 -9.317 -29.666 1.00 44.54 H new ATOM 0 HB3 SER A 129 -14.983 -9.516 -29.463 1.00 44.54 H new ATOM 0 HG SER A 129 -16.012 -11.464 -30.191 1.00 51.40 H new ATOM 2031 N GLN A 130 -18.431 -10.028 -27.615 1.00 23.04 N ATOM 2032 CA GLN A 130 -19.648 -10.660 -27.117 1.00 34.43 C ATOM 2033 C GLN A 130 -19.805 -12.065 -27.689 1.00 34.41 C ATOM 2034 O GLN A 130 -19.039 -12.481 -28.558 1.00 43.21 O ATOM 2035 CB GLN A 130 -20.871 -9.813 -27.472 1.00 13.43 C ATOM 2036 CG GLN A 130 -21.294 -8.861 -26.365 1.00 72.44 C ATOM 2037 CD GLN A 130 -22.742 -9.047 -25.957 1.00 30.33 C ATOM 2038 OE1 GLN A 130 -23.125 -10.099 -25.445 1.00 63.54 O ATOM 2039 NE2 GLN A 130 -23.557 -8.024 -26.183 1.00 3.35 N ATOM 0 H GLN A 130 -18.553 -9.499 -28.478 1.00 23.04 H new ATOM 0 HA GLN A 130 -19.570 -10.735 -26.032 1.00 34.43 H new ATOM 0 HB2 GLN A 130 -20.655 -9.237 -28.372 1.00 13.43 H new ATOM 0 HB3 GLN A 130 -21.704 -10.474 -27.709 1.00 13.43 H new ATOM 0 HG2 GLN A 130 -20.653 -9.013 -25.496 1.00 72.44 H new ATOM 0 HG3 GLN A 130 -21.143 -7.834 -26.697 1.00 72.44 H new ATOM 0 HE21 GLN A 130 -23.197 -7.170 -26.610 1.00 3.35 H new ATOM 0 HE22 GLN A 130 -24.543 -8.092 -25.930 1.00 3.35 H new ATOM 2048 N ASN A 131 -20.801 -12.793 -27.195 1.00 44.22 N ATOM 2049 CA ASN A 131 -21.058 -14.152 -27.657 1.00 54.01 C ATOM 2050 C ASN A 131 -22.419 -14.643 -27.173 1.00 41.42 C ATOM 2051 O ASN A 131 -22.877 -14.270 -26.093 1.00 45.22 O ATOM 2052 CB ASN A 131 -19.959 -15.096 -27.166 1.00 52.15 C ATOM 2053 CG ASN A 131 -20.005 -15.304 -25.663 1.00 34.53 C ATOM 2054 OD1 ASN A 131 -20.003 -14.345 -24.892 1.00 32.01 O ATOM 2055 ND2 ASN A 131 -20.046 -16.563 -25.242 1.00 3.22 N ATOM 0 H ASN A 131 -21.444 -12.464 -26.474 1.00 44.22 H new ATOM 0 HA ASN A 131 -21.061 -14.144 -28.747 1.00 54.01 H new ATOM 0 HB2 ASN A 131 -20.060 -16.059 -27.667 1.00 52.15 H new ATOM 0 HB3 ASN A 131 -18.986 -14.692 -27.445 1.00 52.15 H new ATOM 0 HD21 ASN A 131 -20.078 -16.766 -24.243 1.00 3.22 H new ATOM 0 HD22 ASN A 131 -20.046 -17.327 -25.918 1.00 3.22 H new ATOM 2062 N TYR A 132 -23.060 -15.482 -27.979 1.00 3.23 N ATOM 2063 CA TYR A 132 -24.369 -16.023 -27.635 1.00 41.33 C ATOM 2064 C TYR A 132 -24.247 -17.445 -27.099 1.00 43.04 C ATOM 2065 O TYR A 132 -25.130 -17.931 -26.394 1.00 72.04 O ATOM 2066 CB TYR A 132 -25.289 -16.003 -28.856 1.00 25.44 C ATOM 2067 CG TYR A 132 -26.411 -14.995 -28.754 1.00 25.30 C ATOM 2068 CD1 TYR A 132 -27.635 -15.342 -28.192 1.00 32.14 C ATOM 2069 CD2 TYR A 132 -26.249 -13.696 -29.218 1.00 10.41 C ATOM 2070 CE1 TYR A 132 -28.663 -14.424 -28.098 1.00 53.10 C ATOM 2071 CE2 TYR A 132 -27.271 -12.771 -29.127 1.00 53.53 C ATOM 2072 CZ TYR A 132 -28.475 -13.140 -28.566 1.00 44.31 C ATOM 2073 OH TYR A 132 -29.497 -12.222 -28.472 1.00 45.03 O ATOM 0 H TYR A 132 -22.694 -15.802 -28.876 1.00 3.23 H new ATOM 0 HA TYR A 132 -24.799 -15.396 -26.854 1.00 41.33 H new ATOM 0 HB2 TYR A 132 -24.695 -15.784 -29.744 1.00 25.44 H new ATOM 0 HB3 TYR A 132 -25.716 -16.996 -28.995 1.00 25.44 H new ATOM 0 HD1 TYR A 132 -27.784 -16.346 -27.823 1.00 32.14 H new ATOM 0 HD2 TYR A 132 -25.307 -13.404 -29.658 1.00 10.41 H new ATOM 0 HE1 TYR A 132 -29.608 -14.710 -27.661 1.00 53.10 H new ATOM 0 HE2 TYR A 132 -27.128 -11.765 -29.493 1.00 53.53 H new ATOM 0 HH TYR A 132 -29.203 -11.365 -28.846 1.00 45.03 H new TER 2083 TYR A 132