USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 46 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.58) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.44!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.79 K(o=-2.8,f=-3.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -15:sc= -1.31 USER MOD Single : A 38 GLN : amide:sc= -2.95! C(o=-2.9!,f=-5.9!) USER MOD Single : A 39 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0.044) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0253) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -1.96! (180deg=-4.45!) USER MOD Single : A 59 GLN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 60 SER OG : rot -63:sc= 0.807 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 78:sc= -4.05! USER MOD Single : A 66 THR OG1 : rot 70:sc= 0.451 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -153:sc= -0.0819 (180deg=-0.563) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0251 K(o=-0.025,f=-0.96) USER MOD Single : B 122 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.987 -8.050 2.944 1.00 5.23 N ATOM 2 CA ASN A 10 -10.569 -7.712 2.878 1.00 1.31 C ATOM 3 C ASN A 10 -10.166 -7.330 1.457 1.00 31.00 C ATOM 4 O ASN A 10 -9.527 -6.301 1.239 1.00 75.40 O ATOM 5 CB ASN A 10 -9.720 -8.889 3.362 1.00 12.00 C ATOM 6 CG ASN A 10 -9.553 -8.899 4.869 1.00 40.10 C ATOM 7 OD1 ASN A 10 -8.830 -8.077 5.431 1.00 44.00 O ATOM 8 ND2 ASN A 10 -10.224 -9.835 5.532 1.00 74.20 N ATOM 0 HA ASN A 10 -10.395 -6.855 3.529 1.00 1.31 H new ATOM 0 HB2 ASN A 10 -10.183 -9.823 3.044 1.00 12.00 H new ATOM 0 HB3 ASN A 10 -8.738 -8.844 2.890 1.00 12.00 H new ATOM 0 HD21 ASN A 10 -10.151 -9.892 6.548 1.00 74.20 H new ATOM 0 HD22 ASN A 10 -10.812 -10.496 5.025 1.00 74.20 H new ATOM 15 N LEU A 11 -10.540 -8.163 0.499 1.00 43.30 N ATOM 16 CA LEU A 11 -10.218 -7.912 -0.900 1.00 30.00 C ATOM 17 C LEU A 11 -10.926 -6.658 -1.408 1.00 3.51 C ATOM 18 O LEU A 11 -10.299 -5.780 -2.002 1.00 0.54 O ATOM 19 CB LEU A 11 -10.621 -9.115 -1.764 1.00 10.10 C ATOM 20 CG LEU A 11 -9.552 -10.205 -1.881 1.00 74.10 C ATOM 21 CD1 LEU A 11 -9.650 -11.178 -0.716 1.00 21.40 C ATOM 22 CD2 LEU A 11 -9.693 -10.939 -3.205 1.00 52.20 C ATOM 0 H LEU A 11 -11.068 -9.020 0.663 1.00 43.30 H new ATOM 0 HA LEU A 11 -9.141 -7.759 -0.973 1.00 30.00 H new ATOM 0 HB2 LEU A 11 -11.527 -9.556 -1.348 1.00 10.10 H new ATOM 0 HB3 LEU A 11 -10.869 -8.760 -2.764 1.00 10.10 H new ATOM 0 HG LEU A 11 -8.570 -9.733 -1.848 1.00 74.10 H new ATOM 0 HD11 LEU A 11 -8.882 -11.945 -0.817 1.00 21.40 H new ATOM 0 HD12 LEU A 11 -9.504 -10.640 0.221 1.00 21.40 H new ATOM 0 HD13 LEU A 11 -10.634 -11.647 -0.716 1.00 21.40 H new ATOM 0 HD21 LEU A 11 -8.927 -11.711 -3.276 1.00 52.20 H new ATOM 0 HD22 LEU A 11 -10.679 -11.399 -3.263 1.00 52.20 H new ATOM 0 HD23 LEU A 11 -9.574 -10.233 -4.027 1.00 52.20 H new ATOM 34 N GLN A 12 -12.224 -6.576 -1.160 1.00 73.20 N ATOM 35 CA GLN A 12 -13.016 -5.427 -1.590 1.00 2.21 C ATOM 36 C GLN A 12 -12.460 -4.133 -1.001 1.00 41.20 C ATOM 37 O GLN A 12 -12.569 -3.071 -1.615 1.00 50.10 O ATOM 38 CB GLN A 12 -14.482 -5.605 -1.179 1.00 32.20 C ATOM 39 CG GLN A 12 -15.441 -4.734 -1.963 1.00 24.30 C ATOM 40 CD GLN A 12 -16.174 -5.508 -3.047 1.00 61.10 C ATOM 41 OE1 GLN A 12 -15.595 -5.870 -4.070 1.00 41.40 O ATOM 42 NE2 GLN A 12 -17.457 -5.764 -2.823 1.00 13.10 N ATOM 0 H GLN A 12 -12.755 -7.291 -0.663 1.00 73.20 H new ATOM 0 HA GLN A 12 -12.959 -5.364 -2.677 1.00 2.21 H new ATOM 0 HB2 GLN A 12 -14.763 -6.650 -1.310 1.00 32.20 H new ATOM 0 HB3 GLN A 12 -14.583 -5.378 -0.118 1.00 32.20 H new ATOM 0 HG2 GLN A 12 -16.168 -4.293 -1.281 1.00 24.30 H new ATOM 0 HG3 GLN A 12 -14.890 -3.910 -2.418 1.00 24.30 H new ATOM 0 HE21 GLN A 12 -17.898 -5.445 -1.960 1.00 13.10 H new ATOM 0 HE22 GLN A 12 -18.002 -6.280 -3.514 1.00 13.10 H new ATOM 51 N LYS A 13 -11.876 -4.236 0.182 1.00 41.30 N ATOM 52 CA LYS A 13 -11.305 -3.074 0.852 1.00 2.35 C ATOM 53 C LYS A 13 -9.931 -2.738 0.281 1.00 3.02 C ATOM 54 O LYS A 13 -9.539 -1.573 0.224 1.00 70.20 O ATOM 55 CB LYS A 13 -11.198 -3.328 2.357 1.00 24.20 C ATOM 56 CG LYS A 13 -12.384 -2.798 3.148 1.00 30.30 C ATOM 57 CD LYS A 13 -13.684 -3.452 2.707 1.00 22.30 C ATOM 58 CE LYS A 13 -14.875 -2.547 2.971 1.00 5.54 C ATOM 59 NZ LYS A 13 -16.092 -3.324 3.322 1.00 52.20 N ATOM 0 H LYS A 13 -11.784 -5.110 0.699 1.00 41.30 H new ATOM 0 HA LYS A 13 -11.967 -2.225 0.681 1.00 2.35 H new ATOM 0 HB2 LYS A 13 -11.106 -4.400 2.531 1.00 24.20 H new ATOM 0 HB3 LYS A 13 -10.285 -2.865 2.732 1.00 24.20 H new ATOM 0 HG2 LYS A 13 -12.225 -2.981 4.211 1.00 30.30 H new ATOM 0 HG3 LYS A 13 -12.456 -1.718 3.018 1.00 30.30 H new ATOM 0 HD2 LYS A 13 -13.632 -3.688 1.644 1.00 22.30 H new ATOM 0 HD3 LYS A 13 -13.817 -4.395 3.237 1.00 22.30 H new ATOM 0 HE2 LYS A 13 -14.636 -1.860 3.782 1.00 5.54 H new ATOM 0 HE3 LYS A 13 -15.073 -1.940 2.087 1.00 5.54 H new ATOM 0 HZ1 LYS A 13 -16.883 -2.671 3.495 1.00 52.20 H new ATOM 0 HZ2 LYS A 13 -16.335 -3.962 2.537 1.00 52.20 H new ATOM 0 HZ3 LYS A 13 -15.911 -3.884 4.180 1.00 52.20 H new ATOM 73 N ALA A 14 -9.203 -3.767 -0.141 1.00 42.40 N ATOM 74 CA ALA A 14 -7.872 -3.582 -0.708 1.00 5.02 C ATOM 75 C ALA A 14 -7.907 -2.629 -1.898 1.00 2.21 C ATOM 76 O ALA A 14 -7.151 -1.659 -1.951 1.00 61.30 O ATOM 77 CB ALA A 14 -7.283 -4.923 -1.120 1.00 23.20 C ATOM 0 H ALA A 14 -9.513 -4.738 -0.101 1.00 42.40 H new ATOM 0 HA ALA A 14 -7.237 -3.138 0.059 1.00 5.02 H new ATOM 0 HB1 ALA A 14 -6.290 -4.770 -1.542 1.00 23.20 H new ATOM 0 HB2 ALA A 14 -7.211 -5.572 -0.247 1.00 23.20 H new ATOM 0 HB3 ALA A 14 -7.926 -5.389 -1.867 1.00 23.20 H new ATOM 83 N ILE A 15 -8.790 -2.912 -2.850 1.00 14.30 N ATOM 84 CA ILE A 15 -8.924 -2.079 -4.039 1.00 2.11 C ATOM 85 C ILE A 15 -9.651 -0.776 -3.716 1.00 12.10 C ATOM 86 O ILE A 15 -9.251 0.297 -4.168 1.00 63.10 O ATOM 87 CB ILE A 15 -9.676 -2.812 -5.158 1.00 31.10 C ATOM 88 CG1 ILE A 15 -9.036 -4.174 -5.436 1.00 44.20 C ATOM 89 CG2 ILE A 15 -9.708 -1.971 -6.428 1.00 63.30 C ATOM 90 CD1 ILE A 15 -9.621 -5.297 -4.612 1.00 34.00 C ATOM 0 H ILE A 15 -9.423 -3.711 -2.821 1.00 14.30 H new ATOM 0 HA ILE A 15 -7.915 -1.853 -4.383 1.00 2.11 H new ATOM 0 HB ILE A 15 -10.702 -2.973 -4.827 1.00 31.10 H new ATOM 0 HG12 ILE A 15 -9.152 -4.412 -6.493 1.00 44.20 H new ATOM 0 HG13 ILE A 15 -7.966 -4.110 -5.240 1.00 44.20 H new ATOM 0 HG21 ILE A 15 -10.246 -2.510 -7.208 1.00 63.30 H new ATOM 0 HG22 ILE A 15 -10.212 -1.026 -6.226 1.00 63.30 H new ATOM 0 HG23 ILE A 15 -8.689 -1.774 -6.760 1.00 63.30 H new ATOM 0 HD11 ILE A 15 -9.119 -6.232 -4.862 1.00 34.00 H new ATOM 0 HD12 ILE A 15 -9.481 -5.082 -3.553 1.00 34.00 H new ATOM 0 HD13 ILE A 15 -10.686 -5.389 -4.826 1.00 34.00 H new ATOM 102 N ASP A 16 -10.717 -0.879 -2.930 1.00 25.20 N ATOM 103 CA ASP A 16 -11.498 0.291 -2.544 1.00 60.20 C ATOM 104 C ASP A 16 -10.630 1.301 -1.802 1.00 44.20 C ATOM 105 O ASP A 16 -10.728 2.507 -2.032 1.00 12.30 O ATOM 106 CB ASP A 16 -12.677 -0.124 -1.665 1.00 24.40 C ATOM 107 CG ASP A 16 -13.692 0.991 -1.495 1.00 25.10 C ATOM 108 OD1 ASP A 16 -13.271 2.150 -1.304 1.00 21.40 O ATOM 109 OD2 ASP A 16 -14.902 0.706 -1.550 1.00 73.00 O ATOM 0 H ASP A 16 -11.060 -1.760 -2.548 1.00 25.20 H new ATOM 0 HA ASP A 16 -11.878 0.759 -3.452 1.00 60.20 H new ATOM 0 HB2 ASP A 16 -13.166 -0.993 -2.105 1.00 24.40 H new ATOM 0 HB3 ASP A 16 -12.307 -0.428 -0.686 1.00 24.40 H new ATOM 114 N LEU A 17 -9.780 0.801 -0.912 1.00 31.10 N ATOM 115 CA LEU A 17 -8.893 1.660 -0.135 1.00 74.40 C ATOM 116 C LEU A 17 -7.670 2.057 -0.955 1.00 4.25 C ATOM 117 O LEU A 17 -7.122 3.146 -0.782 1.00 62.30 O ATOM 118 CB LEU A 17 -8.454 0.949 1.146 1.00 2.14 C ATOM 119 CG LEU A 17 -8.150 1.873 2.327 1.00 62.10 C ATOM 120 CD1 LEU A 17 -8.080 1.078 3.621 1.00 53.50 C ATOM 121 CD2 LEU A 17 -6.851 2.628 2.092 1.00 24.30 C ATOM 0 H LEU A 17 -9.686 -0.194 -0.710 1.00 31.10 H new ATOM 0 HA LEU A 17 -9.441 2.564 0.130 1.00 74.40 H new ATOM 0 HB2 LEU A 17 -9.237 0.251 1.443 1.00 2.14 H new ATOM 0 HB3 LEU A 17 -7.565 0.357 0.929 1.00 2.14 H new ATOM 0 HG LEU A 17 -8.958 2.599 2.414 1.00 62.10 H new ATOM 0 HD11 LEU A 17 -7.863 1.751 4.450 1.00 53.50 H new ATOM 0 HD12 LEU A 17 -9.035 0.583 3.796 1.00 53.50 H new ATOM 0 HD13 LEU A 17 -7.292 0.329 3.546 1.00 53.50 H new ATOM 0 HD21 LEU A 17 -6.650 3.280 2.942 1.00 24.30 H new ATOM 0 HD22 LEU A 17 -6.032 1.917 1.979 1.00 24.30 H new ATOM 0 HD23 LEU A 17 -6.938 3.228 1.186 1.00 24.30 H new ATOM 133 N ALA A 18 -7.247 1.169 -1.849 1.00 43.30 N ATOM 134 CA ALA A 18 -6.089 1.429 -2.695 1.00 12.10 C ATOM 135 C ALA A 18 -6.430 2.425 -3.798 1.00 43.10 C ATOM 136 O ALA A 18 -5.604 3.258 -4.172 1.00 15.40 O ATOM 137 CB ALA A 18 -5.572 0.131 -3.295 1.00 42.20 C ATOM 0 H ALA A 18 -7.689 0.263 -2.006 1.00 43.30 H new ATOM 0 HA ALA A 18 -5.306 1.866 -2.075 1.00 12.10 H new ATOM 0 HB1 ALA A 18 -4.707 0.340 -3.925 1.00 42.20 H new ATOM 0 HB2 ALA A 18 -5.282 -0.550 -2.495 1.00 42.20 H new ATOM 0 HB3 ALA A 18 -6.356 -0.329 -3.897 1.00 42.20 H new ATOM 143 N SER A 19 -7.651 2.335 -4.313 1.00 33.10 N ATOM 144 CA SER A 19 -8.102 3.229 -5.373 1.00 51.30 C ATOM 145 C SER A 19 -8.280 4.650 -4.846 1.00 2.21 C ATOM 146 O SER A 19 -7.847 5.615 -5.475 1.00 15.20 O ATOM 147 CB SER A 19 -9.417 2.725 -5.971 1.00 31.20 C ATOM 148 OG SER A 19 -9.690 3.366 -7.200 1.00 2.21 O ATOM 0 H SER A 19 -8.347 1.652 -4.014 1.00 33.10 H new ATOM 0 HA SER A 19 -7.340 3.242 -6.152 1.00 51.30 H new ATOM 0 HB2 SER A 19 -9.363 1.647 -6.123 1.00 31.20 H new ATOM 0 HB3 SER A 19 -10.233 2.908 -5.272 1.00 31.20 H new ATOM 0 HG SER A 19 -10.534 3.028 -7.565 1.00 2.21 H new ATOM 154 N LYS A 20 -8.921 4.768 -3.687 1.00 73.20 N ATOM 155 CA LYS A 20 -9.156 6.070 -3.075 1.00 73.20 C ATOM 156 C LYS A 20 -7.838 6.767 -2.752 1.00 12.30 C ATOM 157 O LYS A 20 -7.725 7.987 -2.865 1.00 64.40 O ATOM 158 CB LYS A 20 -9.989 5.916 -1.802 1.00 71.50 C ATOM 159 CG LYS A 20 -10.561 7.226 -1.285 1.00 12.30 C ATOM 160 CD LYS A 20 -11.203 7.053 0.081 1.00 61.30 C ATOM 161 CE LYS A 20 -11.875 8.335 0.547 1.00 11.40 C ATOM 162 NZ LYS A 20 -11.903 8.439 2.032 1.00 34.40 N ATOM 0 H LYS A 20 -9.286 3.979 -3.154 1.00 73.20 H new ATOM 0 HA LYS A 20 -9.705 6.684 -3.789 1.00 73.20 H new ATOM 0 HB2 LYS A 20 -10.808 5.223 -1.996 1.00 71.50 H new ATOM 0 HB3 LYS A 20 -9.370 5.468 -1.025 1.00 71.50 H new ATOM 0 HG2 LYS A 20 -9.768 7.971 -1.224 1.00 12.30 H new ATOM 0 HG3 LYS A 20 -11.301 7.605 -1.990 1.00 12.30 H new ATOM 0 HD2 LYS A 20 -11.939 6.250 0.039 1.00 61.30 H new ATOM 0 HD3 LYS A 20 -10.445 6.754 0.805 1.00 61.30 H new ATOM 0 HE2 LYS A 20 -11.346 9.193 0.133 1.00 11.40 H new ATOM 0 HE3 LYS A 20 -12.894 8.372 0.161 1.00 11.40 H new ATOM 0 HZ1 LYS A 20 -12.369 9.326 2.309 1.00 34.40 H new ATOM 0 HZ2 LYS A 20 -12.430 7.634 2.427 1.00 34.40 H new ATOM 0 HZ3 LYS A 20 -10.930 8.430 2.399 1.00 34.40 H new ATOM 176 N ALA A 21 -6.843 5.981 -2.352 1.00 62.50 N ATOM 177 CA ALA A 21 -5.532 6.521 -2.014 1.00 44.30 C ATOM 178 C ALA A 21 -4.902 7.222 -3.213 1.00 34.20 C ATOM 179 O ALA A 21 -4.457 8.366 -3.112 1.00 44.10 O ATOM 180 CB ALA A 21 -4.620 5.414 -1.509 1.00 14.10 C ATOM 0 H ALA A 21 -6.920 4.969 -2.254 1.00 62.50 H new ATOM 0 HA ALA A 21 -5.663 7.258 -1.222 1.00 44.30 H new ATOM 0 HB1 ALA A 21 -3.644 5.831 -1.260 1.00 14.10 H new ATOM 0 HB2 ALA A 21 -5.057 4.959 -0.620 1.00 14.10 H new ATOM 0 HB3 ALA A 21 -4.504 4.657 -2.284 1.00 14.10 H new ATOM 186 N ALA A 22 -4.868 6.530 -4.347 1.00 70.40 N ATOM 187 CA ALA A 22 -4.292 7.085 -5.565 1.00 25.20 C ATOM 188 C ALA A 22 -5.098 8.284 -6.055 1.00 32.10 C ATOM 189 O ALA A 22 -4.540 9.246 -6.583 1.00 3.41 O ATOM 190 CB ALA A 22 -4.218 6.020 -6.647 1.00 12.40 C ATOM 0 H ALA A 22 -5.233 5.583 -4.447 1.00 70.40 H new ATOM 0 HA ALA A 22 -3.282 7.426 -5.337 1.00 25.20 H new ATOM 0 HB1 ALA A 22 -3.786 6.449 -7.551 1.00 12.40 H new ATOM 0 HB2 ALA A 22 -3.595 5.195 -6.303 1.00 12.40 H new ATOM 0 HB3 ALA A 22 -5.221 5.651 -6.864 1.00 12.40 H new ATOM 196 N GLN A 23 -6.414 8.219 -5.877 1.00 24.40 N ATOM 197 CA GLN A 23 -7.296 9.300 -6.300 1.00 40.50 C ATOM 198 C GLN A 23 -6.955 10.598 -5.575 1.00 52.20 C ATOM 199 O GLN A 23 -7.118 11.688 -6.123 1.00 74.40 O ATOM 200 CB GLN A 23 -8.756 8.926 -6.038 1.00 73.40 C ATOM 201 CG GLN A 23 -9.749 9.960 -6.543 1.00 73.20 C ATOM 202 CD GLN A 23 -10.905 10.175 -5.584 1.00 73.10 C ATOM 203 OE1 GLN A 23 -11.650 9.246 -5.275 1.00 23.30 O ATOM 204 NE2 GLN A 23 -11.059 11.406 -5.110 1.00 21.40 N ATOM 0 H GLN A 23 -6.892 7.430 -5.443 1.00 24.40 H new ATOM 0 HA GLN A 23 -7.152 9.454 -7.369 1.00 40.50 H new ATOM 0 HB2 GLN A 23 -8.968 7.968 -6.513 1.00 73.40 H new ATOM 0 HB3 GLN A 23 -8.901 8.789 -4.966 1.00 73.40 H new ATOM 0 HG2 GLN A 23 -9.233 10.907 -6.702 1.00 73.20 H new ATOM 0 HG3 GLN A 23 -10.138 9.643 -7.510 1.00 73.20 H new ATOM 0 HE21 GLN A 23 -10.417 12.146 -5.394 1.00 21.40 H new ATOM 0 HE22 GLN A 23 -11.819 11.612 -4.462 1.00 21.40 H new ATOM 213 N GLU A 24 -6.479 10.473 -4.341 1.00 3.21 N ATOM 214 CA GLU A 24 -6.114 11.636 -3.541 1.00 4.30 C ATOM 215 C GLU A 24 -4.762 12.193 -3.977 1.00 71.00 C ATOM 216 O GLU A 24 -4.534 13.402 -3.932 1.00 42.40 O ATOM 217 CB GLU A 24 -6.072 11.268 -2.056 1.00 5.33 C ATOM 218 CG GLU A 24 -7.404 11.448 -1.347 1.00 2.15 C ATOM 219 CD GLU A 24 -8.192 10.157 -1.250 1.00 23.30 C ATOM 220 OE1 GLU A 24 -7.721 9.224 -0.566 1.00 71.20 O ATOM 221 OE2 GLU A 24 -9.280 10.079 -1.856 1.00 44.10 O ATOM 0 H GLU A 24 -6.337 9.578 -3.873 1.00 3.21 H new ATOM 0 HA GLU A 24 -6.871 12.405 -3.696 1.00 4.30 H new ATOM 0 HB2 GLU A 24 -5.754 10.230 -1.956 1.00 5.33 H new ATOM 0 HB3 GLU A 24 -5.320 11.881 -1.559 1.00 5.33 H new ATOM 0 HG2 GLU A 24 -7.228 11.838 -0.345 1.00 2.15 H new ATOM 0 HG3 GLU A 24 -7.997 12.192 -1.879 1.00 2.15 H new ATOM 228 N ASP A 25 -3.869 11.304 -4.399 1.00 32.10 N ATOM 229 CA ASP A 25 -2.540 11.707 -4.843 1.00 13.50 C ATOM 230 C ASP A 25 -2.630 12.656 -6.034 1.00 12.20 C ATOM 231 O ASP A 25 -1.930 13.668 -6.087 1.00 34.20 O ATOM 232 CB ASP A 25 -1.710 10.478 -5.216 1.00 63.40 C ATOM 233 CG ASP A 25 -0.236 10.800 -5.371 1.00 63.30 C ATOM 234 OD1 ASP A 25 0.418 11.092 -4.348 1.00 14.40 O ATOM 235 OD2 ASP A 25 0.263 10.762 -6.515 1.00 73.10 O ATOM 0 H ASP A 25 -4.042 10.300 -4.443 1.00 32.10 H new ATOM 0 HA ASP A 25 -2.052 12.230 -4.021 1.00 13.50 H new ATOM 0 HB2 ASP A 25 -1.833 9.713 -4.449 1.00 63.40 H new ATOM 0 HB3 ASP A 25 -2.087 10.058 -6.148 1.00 63.40 H new ATOM 240 N LYS A 26 -3.494 12.322 -6.986 1.00 15.10 N ATOM 241 CA LYS A 26 -3.675 13.145 -8.176 1.00 61.40 C ATOM 242 C LYS A 26 -4.596 14.326 -7.886 1.00 74.20 C ATOM 243 O LYS A 26 -4.450 15.399 -8.475 1.00 44.40 O ATOM 244 CB LYS A 26 -4.247 12.306 -9.321 1.00 55.50 C ATOM 245 CG LYS A 26 -3.896 12.837 -10.700 1.00 13.10 C ATOM 246 CD LYS A 26 -4.574 12.033 -11.797 1.00 3.01 C ATOM 247 CE LYS A 26 -4.290 12.614 -13.172 1.00 61.10 C ATOM 248 NZ LYS A 26 -5.154 12.006 -14.220 1.00 44.40 N ATOM 0 H LYS A 26 -4.080 11.487 -6.957 1.00 15.10 H new ATOM 0 HA LYS A 26 -2.700 13.532 -8.471 1.00 61.40 H new ATOM 0 HB2 LYS A 26 -3.879 11.284 -9.230 1.00 55.50 H new ATOM 0 HB3 LYS A 26 -5.332 12.264 -9.223 1.00 55.50 H new ATOM 0 HG2 LYS A 26 -4.196 13.882 -10.775 1.00 13.10 H new ATOM 0 HG3 LYS A 26 -2.815 12.805 -10.839 1.00 13.10 H new ATOM 0 HD2 LYS A 26 -4.228 11.000 -11.759 1.00 3.01 H new ATOM 0 HD3 LYS A 26 -5.650 12.015 -11.624 1.00 3.01 H new ATOM 0 HE2 LYS A 26 -4.449 13.692 -13.151 1.00 61.10 H new ATOM 0 HE3 LYS A 26 -3.242 12.451 -13.426 1.00 61.10 H new ATOM 0 HZ1 LYS A 26 -4.930 12.429 -15.143 1.00 44.40 H new ATOM 0 HZ2 LYS A 26 -4.984 10.981 -14.258 1.00 44.40 H new ATOM 0 HZ3 LYS A 26 -6.153 12.183 -13.992 1.00 44.40 H new ATOM 262 N ALA A 27 -5.544 14.121 -6.978 1.00 73.40 N ATOM 263 CA ALA A 27 -6.488 15.169 -6.610 1.00 71.40 C ATOM 264 C ALA A 27 -5.781 16.326 -5.914 1.00 72.20 C ATOM 265 O ALA A 27 -6.071 17.494 -6.177 1.00 61.10 O ATOM 266 CB ALA A 27 -7.583 14.604 -5.718 1.00 73.20 C ATOM 0 H ALA A 27 -5.679 13.239 -6.484 1.00 73.40 H new ATOM 0 HA ALA A 27 -6.941 15.552 -7.524 1.00 71.40 H new ATOM 0 HB1 ALA A 27 -8.281 15.398 -5.451 1.00 73.20 H new ATOM 0 HB2 ALA A 27 -8.116 13.816 -6.251 1.00 73.20 H new ATOM 0 HB3 ALA A 27 -7.138 14.192 -4.812 1.00 73.20 H new ATOM 272 N GLY A 28 -4.852 15.995 -5.023 1.00 71.30 N ATOM 273 CA GLY A 28 -4.118 17.018 -4.302 1.00 13.30 C ATOM 274 C GLY A 28 -3.841 16.629 -2.863 1.00 2.13 C ATOM 275 O GLY A 28 -2.853 17.066 -2.273 1.00 21.40 O ATOM 0 H GLY A 28 -4.595 15.037 -4.788 1.00 71.30 H new ATOM 0 HA2 GLY A 28 -3.174 17.210 -4.811 1.00 13.30 H new ATOM 0 HA3 GLY A 28 -4.685 17.949 -4.321 1.00 13.30 H new ATOM 279 N ASN A 29 -4.716 15.803 -2.297 1.00 73.50 N ATOM 280 CA ASN A 29 -4.561 15.354 -0.918 1.00 71.00 C ATOM 281 C ASN A 29 -3.247 14.602 -0.735 1.00 4.32 C ATOM 282 O ASN A 29 -2.687 14.068 -1.692 1.00 22.20 O ATOM 283 CB ASN A 29 -5.736 14.460 -0.516 1.00 2.21 C ATOM 284 CG ASN A 29 -6.983 15.257 -0.188 1.00 21.20 C ATOM 285 OD1 ASN A 29 -6.924 16.470 0.013 1.00 25.00 O ATOM 286 ND2 ASN A 29 -8.122 14.576 -0.131 1.00 14.40 N ATOM 0 H ASN A 29 -5.539 15.432 -2.772 1.00 73.50 H new ATOM 0 HA ASN A 29 -4.547 16.234 -0.275 1.00 71.00 H new ATOM 0 HB2 ASN A 29 -5.955 13.766 -1.327 1.00 2.21 H new ATOM 0 HB3 ASN A 29 -5.453 13.860 0.349 1.00 2.21 H new ATOM 0 HD21 ASN A 29 -8.994 15.058 0.086 1.00 14.40 H new ATOM 0 HD22 ASN A 29 -8.124 13.571 -0.305 1.00 14.40 H new ATOM 293 N TYR A 30 -2.761 14.562 0.502 1.00 3.21 N ATOM 294 CA TYR A 30 -1.514 13.874 0.811 1.00 41.00 C ATOM 295 C TYR A 30 -1.597 13.176 2.165 1.00 24.30 C ATOM 296 O TYR A 30 -1.227 12.009 2.295 1.00 72.50 O ATOM 297 CB TYR A 30 -0.347 14.864 0.806 1.00 11.30 C ATOM 298 CG TYR A 30 -0.177 15.595 -0.507 1.00 33.10 C ATOM 299 CD1 TYR A 30 -0.069 14.898 -1.703 1.00 24.00 C ATOM 300 CD2 TYR A 30 -0.124 16.982 -0.549 1.00 22.40 C ATOM 301 CE1 TYR A 30 0.086 15.562 -2.905 1.00 54.20 C ATOM 302 CE2 TYR A 30 0.031 17.654 -1.746 1.00 74.40 C ATOM 303 CZ TYR A 30 0.135 16.940 -2.922 1.00 34.30 C ATOM 304 OH TYR A 30 0.290 17.605 -4.115 1.00 2.22 O ATOM 0 H TYR A 30 -3.212 14.998 1.306 1.00 3.21 H new ATOM 0 HA TYR A 30 -1.346 13.119 0.043 1.00 41.00 H new ATOM 0 HB2 TYR A 30 -0.498 15.594 1.601 1.00 11.30 H new ATOM 0 HB3 TYR A 30 0.574 14.328 1.035 1.00 11.30 H new ATOM 0 HD1 TYR A 30 -0.107 13.819 -1.694 1.00 24.00 H new ATOM 0 HD2 TYR A 30 -0.205 17.545 0.369 1.00 22.40 H new ATOM 0 HE1 TYR A 30 0.168 15.005 -3.826 1.00 54.20 H new ATOM 0 HE2 TYR A 30 0.071 18.733 -1.761 1.00 74.40 H new ATOM 0 HH TYR A 30 0.304 18.571 -3.952 1.00 2.22 H new ATOM 314 N GLU A 31 -2.086 13.897 3.168 1.00 3.34 N ATOM 315 CA GLU A 31 -2.218 13.346 4.512 1.00 25.40 C ATOM 316 C GLU A 31 -3.128 12.122 4.512 1.00 63.30 C ATOM 317 O GLU A 31 -2.759 11.062 5.018 1.00 11.30 O ATOM 318 CB GLU A 31 -2.768 14.405 5.468 1.00 65.40 C ATOM 319 CG GLU A 31 -2.257 14.265 6.893 1.00 35.20 C ATOM 320 CD GLU A 31 -3.338 14.516 7.926 1.00 31.20 C ATOM 321 OE1 GLU A 31 -4.287 13.708 8.001 1.00 25.10 O ATOM 322 OE2 GLU A 31 -3.233 15.520 8.661 1.00 63.50 O ATOM 0 H GLU A 31 -2.397 14.864 3.076 1.00 3.34 H new ATOM 0 HA GLU A 31 -1.228 13.040 4.851 1.00 25.40 H new ATOM 0 HB2 GLU A 31 -2.504 15.394 5.092 1.00 65.40 H new ATOM 0 HB3 GLU A 31 -3.856 14.346 5.474 1.00 65.40 H new ATOM 0 HG2 GLU A 31 -1.851 13.263 7.033 1.00 35.20 H new ATOM 0 HG3 GLU A 31 -1.438 14.966 7.052 1.00 35.20 H new ATOM 329 N GLU A 32 -4.318 12.275 3.942 1.00 51.20 N ATOM 330 CA GLU A 32 -5.281 11.182 3.877 1.00 32.40 C ATOM 331 C GLU A 32 -4.804 10.095 2.919 1.00 24.40 C ATOM 332 O GLU A 32 -5.084 8.913 3.116 1.00 73.40 O ATOM 333 CB GLU A 32 -6.649 11.705 3.434 1.00 34.00 C ATOM 334 CG GLU A 32 -6.592 12.594 2.203 1.00 40.30 C ATOM 335 CD GLU A 32 -6.646 14.069 2.545 1.00 0.34 C ATOM 336 OE1 GLU A 32 -7.761 14.586 2.771 1.00 1.41 O ATOM 337 OE2 GLU A 32 -5.573 14.709 2.589 1.00 42.20 O ATOM 0 H GLU A 32 -4.639 13.145 3.518 1.00 51.20 H new ATOM 0 HA GLU A 32 -5.371 10.750 4.873 1.00 32.40 H new ATOM 0 HB2 GLU A 32 -7.304 10.858 3.230 1.00 34.00 H new ATOM 0 HB3 GLU A 32 -7.098 12.264 4.255 1.00 34.00 H new ATOM 0 HG2 GLU A 32 -5.675 12.386 1.652 1.00 40.30 H new ATOM 0 HG3 GLU A 32 -7.424 12.347 1.543 1.00 40.30 H new ATOM 344 N ALA A 33 -4.084 10.503 1.879 1.00 64.10 N ATOM 345 CA ALA A 33 -3.568 9.565 0.891 1.00 12.40 C ATOM 346 C ALA A 33 -2.430 8.731 1.468 1.00 64.00 C ATOM 347 O ALA A 33 -2.269 7.559 1.124 1.00 41.10 O ATOM 348 CB ALA A 33 -3.102 10.310 -0.351 1.00 31.40 C ATOM 0 H ALA A 33 -3.845 11.478 1.699 1.00 64.10 H new ATOM 0 HA ALA A 33 -4.375 8.887 0.613 1.00 12.40 H new ATOM 0 HB1 ALA A 33 -2.719 9.597 -1.081 1.00 31.40 H new ATOM 0 HB2 ALA A 33 -3.940 10.857 -0.783 1.00 31.40 H new ATOM 0 HB3 ALA A 33 -2.313 11.011 -0.080 1.00 31.40 H new ATOM 354 N LEU A 34 -1.643 9.341 2.348 1.00 44.40 N ATOM 355 CA LEU A 34 -0.519 8.654 2.973 1.00 45.00 C ATOM 356 C LEU A 34 -1.003 7.500 3.845 1.00 3.32 C ATOM 357 O LEU A 34 -0.561 6.363 3.690 1.00 22.10 O ATOM 358 CB LEU A 34 0.301 9.634 3.813 1.00 64.40 C ATOM 359 CG LEU A 34 1.809 9.373 3.826 1.00 45.50 C ATOM 360 CD1 LEU A 34 2.513 10.360 4.743 1.00 1.41 C ATOM 361 CD2 LEU A 34 2.097 7.942 4.258 1.00 64.40 C ATOM 0 H LEU A 34 -1.763 10.310 2.644 1.00 44.40 H new ATOM 0 HA LEU A 34 0.112 8.248 2.182 1.00 45.00 H new ATOM 0 HB2 LEU A 34 0.126 10.643 3.440 1.00 64.40 H new ATOM 0 HB3 LEU A 34 -0.066 9.605 4.839 1.00 64.40 H new ATOM 0 HG LEU A 34 2.192 9.511 2.815 1.00 45.50 H new ATOM 0 HD11 LEU A 34 3.584 10.159 4.740 1.00 1.41 H new ATOM 0 HD12 LEU A 34 2.333 11.376 4.391 1.00 1.41 H new ATOM 0 HD13 LEU A 34 2.127 10.254 5.757 1.00 1.41 H new ATOM 0 HD21 LEU A 34 3.174 7.773 4.262 1.00 64.40 H new ATOM 0 HD22 LEU A 34 1.700 7.778 5.260 1.00 64.40 H new ATOM 0 HD23 LEU A 34 1.623 7.250 3.562 1.00 64.40 H new ATOM 373 N GLN A 35 -1.916 7.803 4.764 1.00 34.20 N ATOM 374 CA GLN A 35 -2.462 6.791 5.660 1.00 64.00 C ATOM 375 C GLN A 35 -3.237 5.734 4.880 1.00 11.30 C ATOM 376 O GLN A 35 -3.251 4.560 5.252 1.00 54.30 O ATOM 377 CB GLN A 35 -3.373 7.441 6.703 1.00 52.20 C ATOM 378 CG GLN A 35 -4.601 8.109 6.106 1.00 5.21 C ATOM 379 CD GLN A 35 -5.413 8.865 7.139 1.00 21.40 C ATOM 380 OE1 GLN A 35 -5.097 10.005 7.480 1.00 1.32 O ATOM 381 NE2 GLN A 35 -6.466 8.232 7.643 1.00 2.43 N ATOM 0 H GLN A 35 -2.292 8.740 4.907 1.00 34.20 H new ATOM 0 HA GLN A 35 -1.629 6.304 6.167 1.00 64.00 H new ATOM 0 HB2 GLN A 35 -3.693 6.682 7.417 1.00 52.20 H new ATOM 0 HB3 GLN A 35 -2.801 8.183 7.261 1.00 52.20 H new ATOM 0 HG2 GLN A 35 -4.290 8.797 5.319 1.00 5.21 H new ATOM 0 HG3 GLN A 35 -5.230 7.352 5.637 1.00 5.21 H new ATOM 0 HE21 GLN A 35 -6.691 7.287 7.331 1.00 2.43 H new ATOM 0 HE22 GLN A 35 -7.050 8.691 8.342 1.00 2.43 H new ATOM 390 N LEU A 36 -3.881 6.158 3.797 1.00 41.30 N ATOM 391 CA LEU A 36 -4.658 5.247 2.965 1.00 40.00 C ATOM 392 C LEU A 36 -3.742 4.327 2.165 1.00 33.30 C ATOM 393 O LEU A 36 -4.054 3.155 1.954 1.00 65.20 O ATOM 394 CB LEU A 36 -5.562 6.036 2.015 1.00 21.10 C ATOM 395 CG LEU A 36 -6.820 6.622 2.659 1.00 0.23 C ATOM 396 CD1 LEU A 36 -7.327 7.809 1.854 1.00 1.11 C ATOM 397 CD2 LEU A 36 -7.900 5.558 2.781 1.00 34.50 C ATOM 0 H LEU A 36 -3.880 7.126 3.476 1.00 41.30 H new ATOM 0 HA LEU A 36 -5.277 4.635 3.620 1.00 40.00 H new ATOM 0 HB2 LEU A 36 -4.983 6.849 1.578 1.00 21.10 H new ATOM 0 HB3 LEU A 36 -5.862 5.382 1.196 1.00 21.10 H new ATOM 0 HG LEU A 36 -6.566 6.970 3.660 1.00 0.23 H new ATOM 0 HD11 LEU A 36 -8.222 8.213 2.326 1.00 1.11 H new ATOM 0 HD12 LEU A 36 -6.557 8.579 1.817 1.00 1.11 H new ATOM 0 HD13 LEU A 36 -7.566 7.486 0.841 1.00 1.11 H new ATOM 0 HD21 LEU A 36 -8.788 5.992 3.241 1.00 34.50 H new ATOM 0 HD22 LEU A 36 -8.152 5.181 1.790 1.00 34.50 H new ATOM 0 HD23 LEU A 36 -7.535 4.738 3.399 1.00 34.50 H new ATOM 409 N TYR A 37 -2.611 4.865 1.721 1.00 63.30 N ATOM 410 CA TYR A 37 -1.650 4.092 0.944 1.00 71.00 C ATOM 411 C TYR A 37 -1.139 2.897 1.744 1.00 43.50 C ATOM 412 O TYR A 37 -0.996 1.796 1.212 1.00 54.00 O ATOM 413 CB TYR A 37 -0.475 4.976 0.520 1.00 61.20 C ATOM 414 CG TYR A 37 -0.666 5.633 -0.827 1.00 12.50 C ATOM 415 CD1 TYR A 37 -1.055 4.890 -1.935 1.00 75.30 C ATOM 416 CD2 TYR A 37 -0.458 6.997 -0.993 1.00 45.20 C ATOM 417 CE1 TYR A 37 -1.230 5.487 -3.169 1.00 43.30 C ATOM 418 CE2 TYR A 37 -0.632 7.601 -2.223 1.00 42.10 C ATOM 419 CZ TYR A 37 -1.018 6.842 -3.308 1.00 71.20 C ATOM 420 OH TYR A 37 -1.191 7.440 -4.535 1.00 43.20 O ATOM 0 H TYR A 37 -2.338 5.834 1.886 1.00 63.30 H new ATOM 0 HA TYR A 37 -2.156 3.721 0.053 1.00 71.00 H new ATOM 0 HB2 TYR A 37 -0.323 5.749 1.273 1.00 61.20 H new ATOM 0 HB3 TYR A 37 0.432 4.372 0.495 1.00 61.20 H new ATOM 0 HD1 TYR A 37 -1.223 3.828 -1.830 1.00 75.30 H new ATOM 0 HD2 TYR A 37 -0.155 7.595 -0.146 1.00 45.20 H new ATOM 0 HE1 TYR A 37 -1.531 4.895 -4.020 1.00 43.30 H new ATOM 0 HE2 TYR A 37 -0.467 8.662 -2.335 1.00 42.10 H new ATOM 0 HH TYR A 37 -1.224 6.752 -5.232 1.00 43.20 H new ATOM 430 N GLN A 38 -0.865 3.123 3.025 1.00 61.20 N ATOM 431 CA GLN A 38 -0.370 2.065 3.898 1.00 51.20 C ATOM 432 C GLN A 38 -1.468 1.049 4.198 1.00 21.30 C ATOM 433 O GLN A 38 -1.248 -0.160 4.112 1.00 15.20 O ATOM 434 CB GLN A 38 0.160 2.660 5.204 1.00 34.10 C ATOM 435 CG GLN A 38 1.284 3.663 5.004 1.00 41.30 C ATOM 436 CD GLN A 38 1.457 4.590 6.190 1.00 41.40 C ATOM 437 OE1 GLN A 38 2.098 4.237 7.180 1.00 23.40 O ATOM 438 NE2 GLN A 38 0.883 5.785 6.097 1.00 20.40 N ATOM 0 H GLN A 38 -0.977 4.028 3.481 1.00 61.20 H new ATOM 0 HA GLN A 38 0.443 1.553 3.383 1.00 51.20 H new ATOM 0 HB2 GLN A 38 -0.661 3.147 5.731 1.00 34.10 H new ATOM 0 HB3 GLN A 38 0.515 1.852 5.844 1.00 34.10 H new ATOM 0 HG2 GLN A 38 2.217 3.127 4.828 1.00 41.30 H new ATOM 0 HG3 GLN A 38 1.083 4.255 4.111 1.00 41.30 H new ATOM 0 HE21 GLN A 38 0.361 6.036 5.258 1.00 20.40 H new ATOM 0 HE22 GLN A 38 0.965 6.451 6.865 1.00 20.40 H new ATOM 447 N HIS A 39 -2.649 1.546 4.549 1.00 52.20 N ATOM 448 CA HIS A 39 -3.780 0.681 4.861 1.00 51.20 C ATOM 449 C HIS A 39 -4.136 -0.202 3.670 1.00 75.10 C ATOM 450 O HIS A 39 -4.393 -1.396 3.824 1.00 74.20 O ATOM 451 CB HIS A 39 -4.993 1.520 5.268 1.00 34.00 C ATOM 452 CG HIS A 39 -4.987 1.919 6.711 1.00 71.40 C ATOM 453 ND1 HIS A 39 -5.954 1.516 7.609 1.00 40.00 N ATOM 454 CD2 HIS A 39 -4.123 2.690 7.415 1.00 51.50 C ATOM 455 CE1 HIS A 39 -5.686 2.022 8.800 1.00 52.50 C ATOM 456 NE2 HIS A 39 -4.580 2.737 8.708 1.00 34.00 N ATOM 0 H HIS A 39 -2.848 2.544 4.625 1.00 52.20 H new ATOM 0 HA HIS A 39 -3.494 0.038 5.694 1.00 51.20 H new ATOM 0 HB2 HIS A 39 -5.027 2.418 4.651 1.00 34.00 H new ATOM 0 HB3 HIS A 39 -5.902 0.955 5.059 1.00 34.00 H new ATOM 0 HD2 HIS A 39 -3.239 3.177 7.030 1.00 51.50 H new ATOM 0 HE1 HIS A 39 -6.272 1.876 9.696 1.00 52.50 H new ATOM 0 HE2 HIS A 39 -4.137 3.243 9.475 1.00 34.00 H new ATOM 465 N ALA A 40 -4.148 0.393 2.481 1.00 12.40 N ATOM 466 CA ALA A 40 -4.472 -0.340 1.263 1.00 21.10 C ATOM 467 C ALA A 40 -3.493 -1.488 1.038 1.00 3.54 C ATOM 468 O ALA A 40 -3.899 -2.621 0.776 1.00 61.50 O ATOM 469 CB ALA A 40 -4.473 0.599 0.067 1.00 10.10 C ATOM 0 H ALA A 40 -3.937 1.380 2.336 1.00 12.40 H new ATOM 0 HA ALA A 40 -5.469 -0.765 1.377 1.00 21.10 H new ATOM 0 HB1 ALA A 40 -4.716 0.038 -0.836 1.00 10.10 H new ATOM 0 HB2 ALA A 40 -5.216 1.382 0.220 1.00 10.10 H new ATOM 0 HB3 ALA A 40 -3.487 1.051 -0.042 1.00 10.10 H new ATOM 475 N VAL A 41 -2.203 -1.186 1.141 1.00 52.40 N ATOM 476 CA VAL A 41 -1.165 -2.192 0.948 1.00 72.50 C ATOM 477 C VAL A 41 -1.254 -3.281 2.012 1.00 10.20 C ATOM 478 O VAL A 41 -0.949 -4.444 1.750 1.00 53.40 O ATOM 479 CB VAL A 41 0.241 -1.564 0.986 1.00 11.30 C ATOM 480 CG1 VAL A 41 1.299 -2.597 0.630 1.00 55.10 C ATOM 481 CG2 VAL A 41 0.319 -0.367 0.050 1.00 61.50 C ATOM 0 H VAL A 41 -1.851 -0.253 1.357 1.00 52.40 H new ATOM 0 HA VAL A 41 -1.329 -2.633 -0.035 1.00 72.50 H new ATOM 0 HB VAL A 41 0.434 -1.215 2.001 1.00 11.30 H new ATOM 0 HG11 VAL A 41 2.285 -2.134 0.662 1.00 55.10 H new ATOM 0 HG12 VAL A 41 1.260 -3.419 1.345 1.00 55.10 H new ATOM 0 HG13 VAL A 41 1.111 -2.980 -0.373 1.00 55.10 H new ATOM 0 HG21 VAL A 41 1.320 0.063 0.091 1.00 61.50 H new ATOM 0 HG22 VAL A 41 0.103 -0.687 -0.969 1.00 61.50 H new ATOM 0 HG23 VAL A 41 -0.410 0.383 0.357 1.00 61.50 H new ATOM 491 N GLN A 42 -1.673 -2.895 3.213 1.00 22.10 N ATOM 492 CA GLN A 42 -1.800 -3.837 4.317 1.00 30.40 C ATOM 493 C GLN A 42 -2.831 -4.915 3.997 1.00 13.10 C ATOM 494 O GLN A 42 -2.652 -6.082 4.344 1.00 51.30 O ATOM 495 CB GLN A 42 -2.196 -3.103 5.599 1.00 12.10 C ATOM 496 CG GLN A 42 -1.027 -2.430 6.300 1.00 41.30 C ATOM 497 CD GLN A 42 -1.428 -1.782 7.611 1.00 74.30 C ATOM 498 OE1 GLN A 42 -2.481 -2.087 8.171 1.00 31.30 O ATOM 499 NE2 GLN A 42 -0.587 -0.881 8.107 1.00 23.10 N ATOM 0 H GLN A 42 -1.930 -1.936 3.446 1.00 22.10 H new ATOM 0 HA GLN A 42 -0.832 -4.316 4.465 1.00 30.40 H new ATOM 0 HB2 GLN A 42 -2.947 -2.351 5.360 1.00 12.10 H new ATOM 0 HB3 GLN A 42 -2.661 -3.811 6.285 1.00 12.10 H new ATOM 0 HG2 GLN A 42 -0.247 -3.168 6.487 1.00 41.30 H new ATOM 0 HG3 GLN A 42 -0.599 -1.674 5.641 1.00 41.30 H new ATOM 0 HE21 GLN A 42 0.275 -0.659 7.609 1.00 23.10 H new ATOM 0 HE22 GLN A 42 -0.803 -0.411 8.986 1.00 23.10 H new ATOM 508 N TYR A 43 -3.910 -4.516 3.332 1.00 71.30 N ATOM 509 CA TYR A 43 -4.970 -5.448 2.965 1.00 44.50 C ATOM 510 C TYR A 43 -4.518 -6.368 1.836 1.00 65.40 C ATOM 511 O TYR A 43 -4.908 -7.534 1.779 1.00 34.50 O ATOM 512 CB TYR A 43 -6.228 -4.686 2.546 1.00 10.50 C ATOM 513 CG TYR A 43 -7.134 -4.329 3.702 1.00 63.40 C ATOM 514 CD1 TYR A 43 -7.919 -5.295 4.320 1.00 44.10 C ATOM 515 CD2 TYR A 43 -7.205 -3.025 4.177 1.00 43.00 C ATOM 516 CE1 TYR A 43 -8.748 -4.972 5.376 1.00 55.10 C ATOM 517 CE2 TYR A 43 -8.031 -2.694 5.234 1.00 13.00 C ATOM 518 CZ TYR A 43 -8.801 -3.671 5.830 1.00 54.10 C ATOM 519 OH TYR A 43 -9.626 -3.346 6.883 1.00 75.10 O ATOM 0 H TYR A 43 -4.074 -3.554 3.036 1.00 71.30 H new ATOM 0 HA TYR A 43 -5.200 -6.059 3.838 1.00 44.50 H new ATOM 0 HB2 TYR A 43 -5.934 -3.772 2.030 1.00 10.50 H new ATOM 0 HB3 TYR A 43 -6.787 -5.290 1.831 1.00 10.50 H new ATOM 0 HD1 TYR A 43 -7.880 -6.315 3.968 1.00 44.10 H new ATOM 0 HD2 TYR A 43 -6.604 -2.257 3.712 1.00 43.00 H new ATOM 0 HE1 TYR A 43 -9.352 -5.735 5.844 1.00 55.10 H new ATOM 0 HE2 TYR A 43 -8.074 -1.676 5.592 1.00 13.00 H new ATOM 0 HH TYR A 43 -9.544 -2.389 7.079 1.00 75.10 H new ATOM 529 N PHE A 44 -3.695 -5.835 0.943 1.00 62.00 N ATOM 530 CA PHE A 44 -3.187 -6.604 -0.186 1.00 13.50 C ATOM 531 C PHE A 44 -2.356 -7.791 0.294 1.00 72.50 C ATOM 532 O PHE A 44 -2.602 -8.932 -0.095 1.00 13.10 O ATOM 533 CB PHE A 44 -2.346 -5.708 -1.095 1.00 44.20 C ATOM 534 CG PHE A 44 -3.065 -5.273 -2.339 1.00 33.50 C ATOM 535 CD1 PHE A 44 -3.689 -6.202 -3.156 1.00 2.31 C ATOM 536 CD2 PHE A 44 -3.116 -3.933 -2.693 1.00 74.40 C ATOM 537 CE1 PHE A 44 -4.351 -5.804 -4.302 1.00 73.10 C ATOM 538 CE2 PHE A 44 -3.777 -3.529 -3.838 1.00 40.40 C ATOM 539 CZ PHE A 44 -4.395 -4.466 -4.643 1.00 21.20 C ATOM 0 H PHE A 44 -3.364 -4.871 0.978 1.00 62.00 H new ATOM 0 HA PHE A 44 -4.038 -6.987 -0.750 1.00 13.50 H new ATOM 0 HB2 PHE A 44 -2.037 -4.825 -0.536 1.00 44.20 H new ATOM 0 HB3 PHE A 44 -1.438 -6.241 -1.377 1.00 44.20 H new ATOM 0 HD1 PHE A 44 -3.658 -7.249 -2.894 1.00 2.31 H new ATOM 0 HD2 PHE A 44 -2.634 -3.197 -2.067 1.00 74.40 H new ATOM 0 HE1 PHE A 44 -4.833 -6.538 -4.930 1.00 73.10 H new ATOM 0 HE2 PHE A 44 -3.810 -2.482 -4.103 1.00 40.40 H new ATOM 0 HZ PHE A 44 -4.912 -4.153 -5.538 1.00 21.20 H new ATOM 549 N LEU A 45 -1.371 -7.512 1.144 1.00 45.30 N ATOM 550 CA LEU A 45 -0.504 -8.556 1.677 1.00 41.20 C ATOM 551 C LEU A 45 -1.301 -9.552 2.514 1.00 52.40 C ATOM 552 O LEU A 45 -0.966 -10.731 2.576 1.00 41.30 O ATOM 553 CB LEU A 45 0.611 -7.937 2.523 1.00 33.20 C ATOM 554 CG LEU A 45 1.966 -8.640 2.422 1.00 2.33 C ATOM 555 CD1 LEU A 45 2.428 -8.698 0.975 1.00 50.50 C ATOM 556 CD2 LEU A 45 2.998 -7.931 3.285 1.00 73.30 C ATOM 0 H LEU A 45 -1.155 -6.573 1.477 1.00 45.30 H new ATOM 0 HA LEU A 45 -0.060 -9.090 0.837 1.00 41.20 H new ATOM 0 HB2 LEU A 45 0.736 -6.896 2.226 1.00 33.20 H new ATOM 0 HB3 LEU A 45 0.296 -7.936 3.567 1.00 33.20 H new ATOM 0 HG LEU A 45 1.855 -9.661 2.788 1.00 2.33 H new ATOM 0 HD11 LEU A 45 3.393 -9.201 0.921 1.00 50.50 H new ATOM 0 HD12 LEU A 45 1.698 -9.249 0.382 1.00 50.50 H new ATOM 0 HD13 LEU A 45 2.524 -7.686 0.583 1.00 50.50 H new ATOM 0 HD21 LEU A 45 3.956 -8.444 3.202 1.00 73.30 H new ATOM 0 HD22 LEU A 45 3.108 -6.900 2.948 1.00 73.30 H new ATOM 0 HD23 LEU A 45 2.671 -7.940 4.325 1.00 73.30 H new ATOM 568 N HIS A 46 -2.357 -9.065 3.157 1.00 61.30 N ATOM 569 CA HIS A 46 -3.201 -9.913 3.990 1.00 10.10 C ATOM 570 C HIS A 46 -3.813 -11.046 3.171 1.00 53.10 C ATOM 571 O HIS A 46 -3.666 -12.218 3.511 1.00 13.20 O ATOM 572 CB HIS A 46 -4.309 -9.083 4.641 1.00 73.30 C ATOM 573 CG HIS A 46 -4.658 -9.533 6.026 1.00 40.30 C ATOM 574 ND1 HIS A 46 -3.906 -9.208 7.136 1.00 32.10 N ATOM 575 CD2 HIS A 46 -5.688 -10.286 6.480 1.00 41.20 C ATOM 576 CE1 HIS A 46 -4.456 -9.743 8.211 1.00 11.10 C ATOM 577 NE2 HIS A 46 -5.539 -10.402 7.841 1.00 23.50 N ATOM 0 H HIS A 46 -2.648 -8.088 3.117 1.00 61.30 H new ATOM 0 HA HIS A 46 -2.577 -10.349 4.770 1.00 10.10 H new ATOM 0 HB2 HIS A 46 -3.998 -8.039 4.675 1.00 73.30 H new ATOM 0 HB3 HIS A 46 -5.201 -9.130 4.017 1.00 73.30 H new ATOM 0 HD2 HIS A 46 -6.479 -10.715 5.883 1.00 41.20 H new ATOM 0 HE1 HIS A 46 -4.083 -9.656 9.221 1.00 11.10 H new ATOM 0 HE2 HIS A 46 -6.163 -10.914 8.464 1.00 23.50 H new ATOM 586 N VAL A 47 -4.500 -10.685 2.093 1.00 52.40 N ATOM 587 CA VAL A 47 -5.133 -11.670 1.225 1.00 60.40 C ATOM 588 C VAL A 47 -4.103 -12.602 0.609 1.00 0.42 C ATOM 589 O VAL A 47 -4.405 -13.754 0.287 1.00 23.30 O ATOM 590 CB VAL A 47 -5.933 -10.993 0.096 1.00 52.20 C ATOM 591 CG1 VAL A 47 -7.151 -10.277 0.659 1.00 15.40 C ATOM 592 CG2 VAL A 47 -5.049 -10.028 -0.680 1.00 70.40 C ATOM 0 H VAL A 47 -4.633 -9.717 1.800 1.00 52.40 H new ATOM 0 HA VAL A 47 -5.815 -12.247 1.849 1.00 60.40 H new ATOM 0 HB VAL A 47 -6.280 -11.764 -0.591 1.00 52.20 H new ATOM 0 HG11 VAL A 47 -7.703 -9.805 -0.153 1.00 15.40 H new ATOM 0 HG12 VAL A 47 -7.794 -10.997 1.165 1.00 15.40 H new ATOM 0 HG13 VAL A 47 -6.829 -9.515 1.369 1.00 15.40 H new ATOM 0 HG21 VAL A 47 -5.631 -9.559 -1.473 1.00 70.40 H new ATOM 0 HG22 VAL A 47 -4.670 -9.260 -0.006 1.00 70.40 H new ATOM 0 HG23 VAL A 47 -4.212 -10.573 -1.117 1.00 70.40 H new ATOM 602 N VAL A 48 -2.878 -12.110 0.445 1.00 73.30 N ATOM 603 CA VAL A 48 -1.803 -12.903 -0.134 1.00 11.30 C ATOM 604 C VAL A 48 -1.298 -13.945 0.857 1.00 45.00 C ATOM 605 O VAL A 48 -1.265 -15.141 0.554 1.00 61.20 O ATOM 606 CB VAL A 48 -0.622 -12.019 -0.577 1.00 54.10 C ATOM 607 CG1 VAL A 48 0.425 -12.840 -1.305 1.00 20.20 C ATOM 608 CG2 VAL A 48 -1.117 -10.867 -1.453 1.00 61.20 C ATOM 0 H VAL A 48 -2.607 -11.162 0.707 1.00 73.30 H new ATOM 0 HA VAL A 48 -2.217 -13.404 -1.009 1.00 11.30 H new ATOM 0 HB VAL A 48 -0.156 -11.597 0.314 1.00 54.10 H new ATOM 0 HG11 VAL A 48 1.249 -12.193 -1.608 1.00 20.20 H new ATOM 0 HG12 VAL A 48 0.801 -13.620 -0.643 1.00 20.20 H new ATOM 0 HG13 VAL A 48 -0.021 -13.297 -2.188 1.00 20.20 H new ATOM 0 HG21 VAL A 48 -0.270 -10.252 -1.758 1.00 61.20 H new ATOM 0 HG22 VAL A 48 -1.611 -11.269 -2.338 1.00 61.20 H new ATOM 0 HG23 VAL A 48 -1.823 -10.258 -0.889 1.00 61.20 H new ATOM 618 N LYS A 49 -0.899 -13.489 2.039 1.00 31.50 N ATOM 619 CA LYS A 49 -0.394 -14.379 3.074 1.00 72.20 C ATOM 620 C LYS A 49 -1.491 -15.315 3.573 1.00 13.30 C ATOM 621 O LYS A 49 -1.239 -16.484 3.862 1.00 10.30 O ATOM 622 CB LYS A 49 0.176 -13.578 4.242 1.00 51.30 C ATOM 623 CG LYS A 49 1.293 -12.626 3.841 1.00 34.40 C ATOM 624 CD LYS A 49 2.115 -12.195 5.044 1.00 74.00 C ATOM 625 CE LYS A 49 2.507 -10.725 4.948 1.00 63.00 C ATOM 626 NZ LYS A 49 3.087 -10.222 6.224 1.00 12.20 N ATOM 0 H LYS A 49 -0.916 -12.504 2.303 1.00 31.50 H new ATOM 0 HA LYS A 49 0.403 -14.980 2.636 1.00 72.20 H new ATOM 0 HB2 LYS A 49 -0.628 -13.007 4.706 1.00 51.30 H new ATOM 0 HB3 LYS A 49 0.552 -14.269 4.996 1.00 51.30 H new ATOM 0 HG2 LYS A 49 1.941 -13.111 3.111 1.00 34.40 H new ATOM 0 HG3 LYS A 49 0.867 -11.748 3.356 1.00 34.40 H new ATOM 0 HD2 LYS A 49 1.543 -12.362 5.957 1.00 74.00 H new ATOM 0 HD3 LYS A 49 3.013 -12.809 5.113 1.00 74.00 H new ATOM 0 HE2 LYS A 49 3.231 -10.594 4.143 1.00 63.00 H new ATOM 0 HE3 LYS A 49 1.630 -10.131 4.688 1.00 63.00 H new ATOM 0 HZ1 LYS A 49 3.341 -9.219 6.118 1.00 12.20 H new ATOM 0 HZ2 LYS A 49 2.388 -10.324 6.987 1.00 12.20 H new ATOM 0 HZ3 LYS A 49 3.938 -10.772 6.459 1.00 12.20 H new ATOM 640 N TYR A 50 -2.707 -14.795 3.674 1.00 31.10 N ATOM 641 CA TYR A 50 -3.842 -15.581 4.140 1.00 41.30 C ATOM 642 C TYR A 50 -4.450 -16.391 3.000 1.00 1.04 C ATOM 643 O TYR A 50 -4.983 -17.480 3.216 1.00 61.20 O ATOM 644 CB TYR A 50 -4.904 -14.673 4.753 1.00 53.20 C ATOM 645 CG TYR A 50 -4.505 -14.092 6.091 1.00 23.30 C ATOM 646 CD1 TYR A 50 -3.361 -13.311 6.219 1.00 15.50 C ATOM 647 CD2 TYR A 50 -5.276 -14.313 7.225 1.00 52.50 C ATOM 648 CE1 TYR A 50 -2.991 -12.782 7.440 1.00 63.20 C ATOM 649 CE2 TYR A 50 -4.913 -13.787 8.450 1.00 13.30 C ATOM 650 CZ TYR A 50 -3.772 -13.017 8.551 1.00 30.10 C ATOM 651 OH TYR A 50 -3.408 -12.490 9.769 1.00 1.15 O ATOM 0 H TYR A 50 -2.933 -13.829 3.439 1.00 31.10 H new ATOM 0 HA TYR A 50 -3.481 -16.272 4.902 1.00 41.30 H new ATOM 0 HB2 TYR A 50 -5.116 -13.858 4.061 1.00 53.20 H new ATOM 0 HB3 TYR A 50 -5.828 -15.238 4.873 1.00 53.20 H new ATOM 0 HD1 TYR A 50 -2.752 -13.115 5.349 1.00 15.50 H new ATOM 0 HD2 TYR A 50 -6.175 -14.906 7.148 1.00 52.50 H new ATOM 0 HE1 TYR A 50 -2.094 -12.187 7.524 1.00 63.20 H new ATOM 0 HE2 TYR A 50 -5.519 -13.977 9.324 1.00 13.30 H new ATOM 0 HH TYR A 50 -4.066 -12.749 10.447 1.00 1.15 H new ATOM 661 N GLU A 51 -4.365 -15.857 1.787 1.00 1.23 N ATOM 662 CA GLU A 51 -4.905 -16.535 0.614 1.00 50.00 C ATOM 663 C GLU A 51 -4.011 -16.319 -0.603 1.00 51.50 C ATOM 664 O GLU A 51 -4.322 -15.501 -1.476 1.00 22.50 O ATOM 665 CB GLU A 51 -6.320 -16.031 0.319 1.00 0.42 C ATOM 666 CG GLU A 51 -6.972 -16.704 -0.872 1.00 41.10 C ATOM 667 CD GLU A 51 -7.964 -17.775 -0.461 1.00 73.50 C ATOM 668 OE1 GLU A 51 -8.989 -17.424 0.164 1.00 4.15 O ATOM 669 OE2 GLU A 51 -7.727 -18.963 -0.767 1.00 5.51 O ATOM 0 H GLU A 51 -3.928 -14.957 1.590 1.00 1.23 H new ATOM 0 HA GLU A 51 -4.941 -17.603 0.827 1.00 50.00 H new ATOM 0 HB2 GLU A 51 -6.943 -16.188 1.200 1.00 0.42 H new ATOM 0 HB3 GLU A 51 -6.284 -14.956 0.142 1.00 0.42 H new ATOM 0 HG2 GLU A 51 -7.482 -15.953 -1.476 1.00 41.10 H new ATOM 0 HG3 GLU A 51 -6.201 -17.149 -1.501 1.00 41.10 H new ATOM 676 N ALA A 52 -2.903 -17.047 -0.654 1.00 53.00 N ATOM 677 CA ALA A 52 -1.963 -16.937 -1.763 1.00 23.20 C ATOM 678 C ALA A 52 -2.351 -17.865 -2.906 1.00 51.40 C ATOM 679 O ALA A 52 -1.869 -18.995 -2.987 1.00 14.00 O ATOM 680 CB ALA A 52 -0.550 -17.230 -1.291 1.00 74.30 C ATOM 0 H ALA A 52 -2.632 -17.722 0.061 1.00 53.00 H new ATOM 0 HA ALA A 52 -1.999 -15.914 -2.137 1.00 23.20 H new ATOM 0 HB1 ALA A 52 0.139 -17.144 -2.131 1.00 74.30 H new ATOM 0 HB2 ALA A 52 -0.270 -16.516 -0.517 1.00 74.30 H new ATOM 0 HB3 ALA A 52 -0.504 -18.241 -0.886 1.00 74.30 H new ATOM 686 N GLN A 53 -3.223 -17.387 -3.786 1.00 52.10 N ATOM 687 CA GLN A 53 -3.668 -18.176 -4.921 1.00 0.11 C ATOM 688 C GLN A 53 -3.034 -17.680 -6.215 1.00 45.30 C ATOM 689 O GLN A 53 -3.107 -16.493 -6.536 1.00 14.40 O ATOM 690 CB GLN A 53 -5.190 -18.129 -5.032 1.00 35.20 C ATOM 691 CG GLN A 53 -5.744 -16.729 -5.287 1.00 24.30 C ATOM 692 CD GLN A 53 -7.253 -16.710 -5.382 1.00 12.10 C ATOM 693 OE1 GLN A 53 -7.863 -17.606 -5.948 1.00 62.40 O ATOM 694 NE2 GLN A 53 -7.863 -15.666 -4.819 1.00 61.10 N ATOM 0 H GLN A 53 -3.635 -16.455 -3.732 1.00 52.10 H new ATOM 0 HA GLN A 53 -3.353 -19.207 -4.760 1.00 0.11 H new ATOM 0 HB2 GLN A 53 -5.507 -18.788 -5.840 1.00 35.20 H new ATOM 0 HB3 GLN A 53 -5.625 -18.520 -4.112 1.00 35.20 H new ATOM 0 HG2 GLN A 53 -5.426 -16.064 -4.484 1.00 24.30 H new ATOM 0 HG3 GLN A 53 -5.320 -16.337 -6.212 1.00 24.30 H new ATOM 0 HE21 GLN A 53 -7.313 -14.942 -4.357 1.00 61.10 H new ATOM 0 HE22 GLN A 53 -8.880 -15.592 -4.850 1.00 61.10 H new ATOM 703 N GLY A 54 -2.418 -18.591 -6.957 1.00 31.40 N ATOM 704 CA GLY A 54 -1.778 -18.226 -8.207 1.00 11.20 C ATOM 705 C GLY A 54 -0.561 -17.348 -8.004 1.00 75.20 C ATOM 706 O GLY A 54 -0.506 -16.566 -7.060 1.00 10.30 O ATOM 0 H GLY A 54 -2.350 -19.580 -6.715 1.00 31.40 H new ATOM 0 HA2 GLY A 54 -1.484 -19.131 -8.738 1.00 11.20 H new ATOM 0 HA3 GLY A 54 -2.496 -17.704 -8.840 1.00 11.20 H new ATOM 710 N ASP A 55 0.421 -17.484 -8.891 1.00 71.20 N ATOM 711 CA ASP A 55 1.642 -16.697 -8.804 1.00 24.30 C ATOM 712 C ASP A 55 1.442 -15.312 -9.406 1.00 24.20 C ATOM 713 O ASP A 55 2.051 -14.333 -8.965 1.00 73.40 O ATOM 714 CB ASP A 55 2.788 -17.417 -9.521 1.00 71.40 C ATOM 715 CG ASP A 55 3.154 -18.729 -8.856 1.00 14.20 C ATOM 716 OD1 ASP A 55 2.235 -19.526 -8.576 1.00 54.20 O ATOM 717 OD2 ASP A 55 4.357 -18.953 -8.613 1.00 41.30 O ATOM 0 H ASP A 55 0.393 -18.133 -9.678 1.00 71.20 H new ATOM 0 HA ASP A 55 1.896 -16.581 -7.750 1.00 24.30 H new ATOM 0 HB2 ASP A 55 2.504 -17.605 -10.556 1.00 71.40 H new ATOM 0 HB3 ASP A 55 3.663 -16.768 -9.543 1.00 71.40 H new ATOM 722 N LYS A 56 0.579 -15.221 -10.413 1.00 23.20 N ATOM 723 CA LYS A 56 0.300 -13.957 -11.075 1.00 30.20 C ATOM 724 C LYS A 56 -0.274 -12.940 -10.088 1.00 4.15 C ATOM 725 O LYS A 56 0.080 -11.768 -10.121 1.00 11.30 O ATOM 726 CB LYS A 56 -0.673 -14.164 -12.229 1.00 63.10 C ATOM 727 CG LYS A 56 -0.428 -13.247 -13.414 1.00 2.12 C ATOM 728 CD LYS A 56 0.587 -13.827 -14.376 1.00 1.22 C ATOM 729 CE LYS A 56 -0.095 -14.504 -15.559 1.00 71.10 C ATOM 730 NZ LYS A 56 -0.384 -15.946 -15.290 1.00 1.13 N ATOM 0 H LYS A 56 0.059 -16.014 -10.788 1.00 23.20 H new ATOM 0 HA LYS A 56 1.240 -13.568 -11.467 1.00 30.20 H new ATOM 0 HB2 LYS A 56 -0.609 -15.199 -12.564 1.00 63.10 H new ATOM 0 HB3 LYS A 56 -1.689 -14.009 -11.866 1.00 63.10 H new ATOM 0 HG2 LYS A 56 -1.367 -13.073 -13.939 1.00 2.12 H new ATOM 0 HG3 LYS A 56 -0.078 -12.278 -13.057 1.00 2.12 H new ATOM 0 HD2 LYS A 56 1.243 -13.035 -14.736 1.00 1.22 H new ATOM 0 HD3 LYS A 56 1.215 -14.549 -13.854 1.00 1.22 H new ATOM 0 HE2 LYS A 56 -1.026 -13.984 -15.787 1.00 71.10 H new ATOM 0 HE3 LYS A 56 0.541 -14.420 -16.440 1.00 71.10 H new ATOM 0 HZ1 LYS A 56 -0.770 -16.389 -16.148 1.00 1.13 H new ATOM 0 HZ2 LYS A 56 0.494 -16.431 -15.015 1.00 1.13 H new ATOM 0 HZ3 LYS A 56 -1.078 -16.023 -14.519 1.00 1.13 H new ATOM 744 N ALA A 57 -1.160 -13.410 -9.217 1.00 73.20 N ATOM 745 CA ALA A 57 -1.774 -12.545 -8.216 1.00 2.35 C ATOM 746 C ALA A 57 -0.733 -11.918 -7.307 1.00 52.20 C ATOM 747 O ALA A 57 -0.723 -10.709 -7.095 1.00 55.10 O ATOM 748 CB ALA A 57 -2.793 -13.329 -7.400 1.00 21.00 C ATOM 0 H ALA A 57 -1.468 -14.382 -9.183 1.00 73.20 H new ATOM 0 HA ALA A 57 -2.284 -11.736 -8.738 1.00 2.35 H new ATOM 0 HB1 ALA A 57 -3.245 -12.673 -6.656 1.00 21.00 H new ATOM 0 HB2 ALA A 57 -3.568 -13.716 -8.061 1.00 21.00 H new ATOM 0 HB3 ALA A 57 -2.296 -14.159 -6.898 1.00 21.00 H new ATOM 754 N LYS A 58 0.154 -12.758 -6.771 1.00 31.40 N ATOM 755 CA LYS A 58 1.206 -12.281 -5.880 1.00 30.30 C ATOM 756 C LYS A 58 2.103 -11.272 -6.586 1.00 62.40 C ATOM 757 O LYS A 58 2.543 -10.291 -5.984 1.00 12.30 O ATOM 758 CB LYS A 58 2.045 -13.462 -5.379 1.00 42.10 C ATOM 759 CG LYS A 58 1.536 -14.055 -4.075 1.00 43.00 C ATOM 760 CD LYS A 58 2.057 -15.469 -3.871 1.00 53.40 C ATOM 761 CE LYS A 58 2.409 -15.723 -2.414 1.00 2.12 C ATOM 762 NZ LYS A 58 2.407 -17.177 -2.090 1.00 3.30 N ATOM 0 H LYS A 58 0.163 -13.764 -6.938 1.00 31.40 H new ATOM 0 HA LYS A 58 0.734 -11.787 -5.031 1.00 30.30 H new ATOM 0 HB2 LYS A 58 2.057 -14.240 -6.143 1.00 42.10 H new ATOM 0 HB3 LYS A 58 3.075 -13.134 -5.242 1.00 42.10 H new ATOM 0 HG2 LYS A 58 1.848 -13.426 -3.241 1.00 43.00 H new ATOM 0 HG3 LYS A 58 0.446 -14.064 -4.078 1.00 43.00 H new ATOM 0 HD2 LYS A 58 1.304 -16.187 -4.196 1.00 53.40 H new ATOM 0 HD3 LYS A 58 2.938 -15.628 -4.493 1.00 53.40 H new ATOM 0 HE2 LYS A 58 3.392 -15.304 -2.199 1.00 2.12 H new ATOM 0 HE3 LYS A 58 1.695 -15.207 -1.772 1.00 2.12 H new ATOM 0 HZ1 LYS A 58 2.015 -17.320 -1.137 1.00 3.30 H new ATOM 0 HZ2 LYS A 58 1.824 -17.687 -2.784 1.00 3.30 H new ATOM 0 HZ3 LYS A 58 3.381 -17.541 -2.122 1.00 3.30 H new ATOM 776 N GLN A 59 2.369 -11.512 -7.865 1.00 64.20 N ATOM 777 CA GLN A 59 3.215 -10.623 -8.651 1.00 22.30 C ATOM 778 C GLN A 59 2.531 -9.274 -8.869 1.00 43.10 C ATOM 779 O GLN A 59 3.193 -8.242 -8.958 1.00 73.20 O ATOM 780 CB GLN A 59 3.546 -11.260 -10.001 1.00 74.00 C ATOM 781 CG GLN A 59 4.913 -10.870 -10.537 1.00 22.50 C ATOM 782 CD GLN A 59 4.916 -10.668 -12.039 1.00 41.10 C ATOM 783 OE1 GLN A 59 5.602 -11.381 -12.772 1.00 32.00 O ATOM 784 NE2 GLN A 59 4.148 -9.699 -12.507 1.00 15.10 N ATOM 0 H GLN A 59 2.010 -12.316 -8.380 1.00 64.20 H new ATOM 0 HA GLN A 59 4.139 -10.459 -8.097 1.00 22.30 H new ATOM 0 HB2 GLN A 59 3.499 -12.345 -9.903 1.00 74.00 H new ATOM 0 HB3 GLN A 59 2.785 -10.972 -10.726 1.00 74.00 H new ATOM 0 HG2 GLN A 59 5.241 -9.952 -10.050 1.00 22.50 H new ATOM 0 HG3 GLN A 59 5.635 -11.644 -10.277 1.00 22.50 H new ATOM 0 HE21 GLN A 59 3.595 -9.131 -11.865 1.00 15.10 H new ATOM 0 HE22 GLN A 59 4.108 -9.519 -13.510 1.00 15.10 H new ATOM 793 N SER A 60 1.204 -9.292 -8.954 1.00 1.33 N ATOM 794 CA SER A 60 0.436 -8.079 -9.162 1.00 31.20 C ATOM 795 C SER A 60 0.352 -7.262 -7.876 1.00 10.00 C ATOM 796 O SER A 60 0.710 -6.085 -7.852 1.00 52.00 O ATOM 797 CB SER A 60 -0.971 -8.418 -9.657 1.00 25.00 C ATOM 798 OG SER A 60 -1.754 -8.984 -8.621 1.00 11.10 O ATOM 0 H SER A 60 0.641 -10.139 -8.881 1.00 1.33 H new ATOM 0 HA SER A 60 0.945 -7.482 -9.919 1.00 31.20 H new ATOM 0 HB2 SER A 60 -1.455 -7.516 -10.031 1.00 25.00 H new ATOM 0 HB3 SER A 60 -0.908 -9.116 -10.492 1.00 25.00 H new ATOM 0 HG SER A 60 -1.353 -9.831 -8.333 1.00 11.10 H new ATOM 804 N ILE A 61 -0.126 -7.895 -6.809 1.00 52.30 N ATOM 805 CA ILE A 61 -0.258 -7.226 -5.520 1.00 3.24 C ATOM 806 C ILE A 61 1.088 -6.706 -5.027 1.00 14.20 C ATOM 807 O ILE A 61 1.170 -5.632 -4.432 1.00 5.33 O ATOM 808 CB ILE A 61 -0.850 -8.171 -4.456 1.00 63.20 C ATOM 809 CG1 ILE A 61 -0.047 -9.463 -4.387 1.00 34.20 C ATOM 810 CG2 ILE A 61 -2.313 -8.461 -4.761 1.00 65.30 C ATOM 811 CD1 ILE A 61 0.906 -9.522 -3.214 1.00 11.40 C ATOM 0 H ILE A 61 -0.428 -8.869 -6.812 1.00 52.30 H new ATOM 0 HA ILE A 61 -0.936 -6.385 -5.669 1.00 3.24 H new ATOM 0 HB ILE A 61 -0.793 -7.681 -3.484 1.00 63.20 H new ATOM 0 HG12 ILE A 61 -0.735 -10.306 -4.328 1.00 34.20 H new ATOM 0 HG13 ILE A 61 0.520 -9.579 -5.311 1.00 34.20 H new ATOM 0 HG21 ILE A 61 -2.717 -9.130 -4.001 1.00 65.30 H new ATOM 0 HG22 ILE A 61 -2.877 -7.528 -4.761 1.00 65.30 H new ATOM 0 HG23 ILE A 61 -2.394 -8.933 -5.740 1.00 65.30 H new ATOM 0 HD11 ILE A 61 1.444 -10.470 -3.229 1.00 11.40 H new ATOM 0 HD12 ILE A 61 1.618 -8.700 -3.282 1.00 11.40 H new ATOM 0 HD13 ILE A 61 0.344 -9.439 -2.284 1.00 11.40 H new ATOM 823 N ARG A 62 2.143 -7.475 -5.281 1.00 31.50 N ATOM 824 CA ARG A 62 3.486 -7.090 -4.863 1.00 33.30 C ATOM 825 C ARG A 62 3.940 -5.828 -5.587 1.00 63.30 C ATOM 826 O ARG A 62 4.351 -4.852 -4.958 1.00 72.20 O ATOM 827 CB ARG A 62 4.469 -8.221 -5.128 1.00 50.10 C ATOM 828 CG ARG A 62 4.556 -9.234 -3.994 1.00 21.40 C ATOM 829 CD ARG A 62 5.969 -9.766 -3.827 1.00 43.20 C ATOM 830 NE ARG A 62 6.128 -11.085 -4.428 1.00 0.24 N ATOM 831 CZ ARG A 62 7.307 -11.623 -4.738 1.00 73.20 C ATOM 832 NH1 ARG A 62 8.430 -10.956 -4.507 1.00 11.30 N ATOM 833 NH2 ARG A 62 7.362 -12.829 -5.282 1.00 31.10 N ATOM 0 H ARG A 62 2.093 -8.367 -5.773 1.00 31.50 H new ATOM 0 HA ARG A 62 3.460 -6.885 -3.793 1.00 33.30 H new ATOM 0 HB2 ARG A 62 4.178 -8.737 -6.043 1.00 50.10 H new ATOM 0 HB3 ARG A 62 5.458 -7.798 -5.302 1.00 50.10 H new ATOM 0 HG2 ARG A 62 4.229 -8.769 -3.064 1.00 21.40 H new ATOM 0 HG3 ARG A 62 3.876 -10.062 -4.192 1.00 21.40 H new ATOM 0 HD2 ARG A 62 6.675 -9.072 -4.283 1.00 43.20 H new ATOM 0 HD3 ARG A 62 6.214 -9.818 -2.766 1.00 43.20 H new ATOM 0 HE ARG A 62 5.287 -11.628 -4.623 1.00 0.24 H new ATOM 0 HH11 ARG A 62 8.394 -10.026 -4.090 1.00 11.30 H new ATOM 0 HH12 ARG A 62 9.329 -11.373 -4.746 1.00 11.30 H new ATOM 0 HH21 ARG A 62 6.502 -13.346 -5.464 1.00 31.10 H new ATOM 0 HH22 ARG A 62 8.265 -13.241 -5.519 1.00 31.10 H new ATOM 847 N ALA A 63 3.863 -5.852 -6.914 1.00 3.43 N ATOM 848 CA ALA A 63 4.266 -4.709 -7.723 1.00 63.00 C ATOM 849 C ALA A 63 3.451 -3.471 -7.368 1.00 22.30 C ATOM 850 O ALA A 63 3.938 -2.345 -7.463 1.00 24.20 O ATOM 851 CB ALA A 63 4.120 -5.034 -9.203 1.00 74.20 C ATOM 0 H ALA A 63 3.525 -6.651 -7.451 1.00 3.43 H new ATOM 0 HA ALA A 63 5.313 -4.495 -7.510 1.00 63.00 H new ATOM 0 HB1 ALA A 63 4.424 -4.172 -9.797 1.00 74.20 H new ATOM 0 HB2 ALA A 63 4.751 -5.887 -9.452 1.00 74.20 H new ATOM 0 HB3 ALA A 63 3.080 -5.276 -9.421 1.00 74.20 H new ATOM 857 N LYS A 64 2.205 -3.687 -6.959 1.00 0.54 N ATOM 858 CA LYS A 64 1.320 -2.590 -6.589 1.00 62.40 C ATOM 859 C LYS A 64 1.603 -2.120 -5.165 1.00 13.20 C ATOM 860 O LYS A 64 1.432 -0.943 -4.844 1.00 13.40 O ATOM 861 CB LYS A 64 -0.143 -3.020 -6.716 1.00 4.12 C ATOM 862 CG LYS A 64 -0.738 -2.752 -8.088 1.00 2.42 C ATOM 863 CD LYS A 64 -1.737 -3.829 -8.481 1.00 12.40 C ATOM 864 CE LYS A 64 -2.624 -3.375 -9.629 1.00 13.10 C ATOM 865 NZ LYS A 64 -1.986 -3.614 -10.952 1.00 11.40 N ATOM 0 H LYS A 64 1.786 -4.613 -6.876 1.00 0.54 H new ATOM 0 HA LYS A 64 1.507 -1.760 -7.271 1.00 62.40 H new ATOM 0 HB2 LYS A 64 -0.220 -4.085 -6.497 1.00 4.12 H new ATOM 0 HB3 LYS A 64 -0.734 -2.496 -5.964 1.00 4.12 H new ATOM 0 HG2 LYS A 64 -1.230 -1.780 -8.089 1.00 2.42 H new ATOM 0 HG3 LYS A 64 0.060 -2.706 -8.829 1.00 2.42 H new ATOM 0 HD2 LYS A 64 -1.203 -4.734 -8.769 1.00 12.40 H new ATOM 0 HD3 LYS A 64 -2.356 -4.084 -7.621 1.00 12.40 H new ATOM 0 HE2 LYS A 64 -3.575 -3.905 -9.584 1.00 13.10 H new ATOM 0 HE3 LYS A 64 -2.845 -2.313 -9.519 1.00 13.10 H new ATOM 0 HZ1 LYS A 64 -2.623 -3.291 -11.708 1.00 11.40 H new ATOM 0 HZ2 LYS A 64 -1.090 -3.088 -11.006 1.00 11.40 H new ATOM 0 HZ3 LYS A 64 -1.798 -4.630 -11.068 1.00 11.40 H new ATOM 879 N CYS A 65 2.035 -3.046 -4.316 1.00 54.00 N ATOM 880 CA CYS A 65 2.341 -2.726 -2.927 1.00 14.40 C ATOM 881 C CYS A 65 3.583 -1.846 -2.833 1.00 11.30 C ATOM 882 O CYS A 65 3.683 -0.987 -1.957 1.00 62.10 O ATOM 883 CB CYS A 65 2.548 -4.009 -2.120 1.00 20.00 C ATOM 884 SG CYS A 65 1.013 -4.825 -1.623 1.00 50.30 S ATOM 0 H CYS A 65 2.181 -4.024 -4.566 1.00 54.00 H new ATOM 0 HA CYS A 65 1.496 -2.177 -2.512 1.00 14.40 H new ATOM 0 HB2 CYS A 65 3.142 -4.706 -2.712 1.00 20.00 H new ATOM 0 HB3 CYS A 65 3.128 -3.774 -1.227 1.00 20.00 H new ATOM 0 HG CYS A 65 0.515 -5.467 -2.638 1.00 50.30 H new ATOM 890 N THR A 66 4.528 -2.066 -3.742 1.00 32.50 N ATOM 891 CA THR A 66 5.764 -1.293 -3.761 1.00 41.50 C ATOM 892 C THR A 66 5.524 0.101 -4.333 1.00 52.30 C ATOM 893 O THR A 66 6.003 1.097 -3.792 1.00 54.30 O ATOM 894 CB THR A 66 6.831 -2.017 -4.584 1.00 60.30 C ATOM 895 OG1 THR A 66 6.774 -3.415 -4.358 1.00 14.40 O ATOM 896 CG2 THR A 66 8.239 -1.558 -4.274 1.00 74.20 C ATOM 0 H THR A 66 4.461 -2.773 -4.474 1.00 32.50 H new ATOM 0 HA THR A 66 6.115 -1.190 -2.734 1.00 41.50 H new ATOM 0 HB THR A 66 6.609 -1.775 -5.623 1.00 60.30 H new ATOM 0 HG1 THR A 66 5.954 -3.777 -4.754 1.00 14.40 H new ATOM 0 HG21 THR A 66 8.946 -2.111 -4.892 1.00 74.20 H new ATOM 0 HG22 THR A 66 8.329 -0.492 -4.485 1.00 74.20 H new ATOM 0 HG23 THR A 66 8.457 -1.739 -3.222 1.00 74.20 H new ATOM 904 N GLU A 67 4.778 0.163 -5.433 1.00 25.40 N ATOM 905 CA GLU A 67 4.475 1.435 -6.078 1.00 4.33 C ATOM 906 C GLU A 67 3.695 2.349 -5.139 1.00 53.20 C ATOM 907 O GLU A 67 3.988 3.540 -5.031 1.00 12.10 O ATOM 908 CB GLU A 67 3.675 1.200 -7.362 1.00 3.03 C ATOM 909 CG GLU A 67 3.760 2.352 -8.350 1.00 52.00 C ATOM 910 CD GLU A 67 3.498 1.913 -9.774 1.00 11.40 C ATOM 911 OE1 GLU A 67 2.625 1.050 -9.985 1.00 44.40 O ATOM 912 OE2 GLU A 67 4.177 2.436 -10.690 1.00 22.20 O ATOM 0 H GLU A 67 4.373 -0.652 -5.895 1.00 25.40 H new ATOM 0 HA GLU A 67 5.418 1.922 -6.328 1.00 4.33 H new ATOM 0 HB2 GLU A 67 4.036 0.291 -7.844 1.00 3.03 H new ATOM 0 HB3 GLU A 67 2.630 1.030 -7.103 1.00 3.03 H new ATOM 0 HG2 GLU A 67 3.038 3.120 -8.071 1.00 52.00 H new ATOM 0 HG3 GLU A 67 4.749 2.807 -8.289 1.00 52.00 H new ATOM 919 N TYR A 68 2.701 1.784 -4.462 1.00 42.00 N ATOM 920 CA TYR A 68 1.879 2.548 -3.531 1.00 63.40 C ATOM 921 C TYR A 68 2.682 2.948 -2.297 1.00 5.30 C ATOM 922 O TYR A 68 2.564 4.070 -1.804 1.00 43.20 O ATOM 923 CB TYR A 68 0.653 1.734 -3.113 1.00 12.30 C ATOM 924 CG TYR A 68 -0.366 1.561 -4.218 1.00 52.50 C ATOM 925 CD1 TYR A 68 -0.725 2.630 -5.031 1.00 1.21 C ATOM 926 CD2 TYR A 68 -0.967 0.331 -4.447 1.00 24.50 C ATOM 927 CE1 TYR A 68 -1.655 2.476 -6.040 1.00 73.30 C ATOM 928 CE2 TYR A 68 -1.899 0.169 -5.456 1.00 12.20 C ATOM 929 CZ TYR A 68 -2.239 1.245 -6.249 1.00 5.31 C ATOM 930 OH TYR A 68 -3.165 1.088 -7.254 1.00 44.10 O ATOM 0 H TYR A 68 2.445 0.800 -4.541 1.00 42.00 H new ATOM 0 HA TYR A 68 1.549 3.455 -4.038 1.00 63.40 H new ATOM 0 HB2 TYR A 68 0.979 0.751 -2.774 1.00 12.30 H new ATOM 0 HB3 TYR A 68 0.176 2.222 -2.263 1.00 12.30 H new ATOM 0 HD1 TYR A 68 -0.269 3.596 -4.871 1.00 1.21 H new ATOM 0 HD2 TYR A 68 -0.703 -0.513 -3.827 1.00 24.50 H new ATOM 0 HE1 TYR A 68 -1.924 3.316 -6.663 1.00 73.30 H new ATOM 0 HE2 TYR A 68 -2.358 -0.794 -5.622 1.00 12.20 H new ATOM 0 HH TYR A 68 -3.479 0.160 -7.268 1.00 44.10 H new ATOM 940 N LEU A 69 3.499 2.023 -1.804 1.00 55.30 N ATOM 941 CA LEU A 69 4.323 2.279 -0.628 1.00 30.30 C ATOM 942 C LEU A 69 5.320 3.402 -0.897 1.00 32.50 C ATOM 943 O LEU A 69 5.464 4.323 -0.093 1.00 1.14 O ATOM 944 CB LEU A 69 5.066 1.008 -0.213 1.00 64.50 C ATOM 945 CG LEU A 69 4.234 0.000 0.579 1.00 3.34 C ATOM 946 CD1 LEU A 69 4.852 -1.386 0.495 1.00 52.30 C ATOM 947 CD2 LEU A 69 4.105 0.442 2.029 1.00 61.30 C ATOM 0 H LEU A 69 3.608 1.090 -2.200 1.00 55.30 H new ATOM 0 HA LEU A 69 3.666 2.588 0.185 1.00 30.30 H new ATOM 0 HB2 LEU A 69 5.445 0.518 -1.110 1.00 64.50 H new ATOM 0 HB3 LEU A 69 5.932 1.291 0.386 1.00 64.50 H new ATOM 0 HG LEU A 69 3.236 -0.044 0.142 1.00 3.34 H new ATOM 0 HD11 LEU A 69 4.246 -2.090 1.065 1.00 52.30 H new ATOM 0 HD12 LEU A 69 4.893 -1.703 -0.547 1.00 52.30 H new ATOM 0 HD13 LEU A 69 5.861 -1.360 0.907 1.00 52.30 H new ATOM 0 HD21 LEU A 69 3.510 -0.286 2.580 1.00 61.30 H new ATOM 0 HD22 LEU A 69 5.096 0.514 2.477 1.00 61.30 H new ATOM 0 HD23 LEU A 69 3.617 1.416 2.071 1.00 61.30 H new ATOM 959 N ASP A 70 6.005 3.317 -2.032 1.00 31.40 N ATOM 960 CA ASP A 70 6.989 4.327 -2.407 1.00 32.30 C ATOM 961 C ASP A 70 6.339 5.700 -2.532 1.00 22.20 C ATOM 962 O ASP A 70 6.970 6.724 -2.267 1.00 15.50 O ATOM 963 CB ASP A 70 7.664 3.946 -3.727 1.00 1.01 C ATOM 964 CG ASP A 70 8.842 3.014 -3.526 1.00 31.50 C ATOM 965 OD1 ASP A 70 8.618 1.848 -3.142 1.00 54.10 O ATOM 966 OD2 ASP A 70 9.990 3.452 -3.754 1.00 31.30 O ATOM 0 H ASP A 70 5.898 2.561 -2.708 1.00 31.40 H new ATOM 0 HA ASP A 70 7.743 4.373 -1.621 1.00 32.30 H new ATOM 0 HB2 ASP A 70 6.934 3.469 -4.381 1.00 1.01 H new ATOM 0 HB3 ASP A 70 8.002 4.850 -4.233 1.00 1.01 H new ATOM 971 N ARG A 71 5.074 5.715 -2.938 1.00 43.10 N ATOM 972 CA ARG A 71 4.337 6.964 -3.099 1.00 15.10 C ATOM 973 C ARG A 71 4.135 7.654 -1.754 1.00 31.20 C ATOM 974 O ARG A 71 4.341 8.860 -1.625 1.00 52.30 O ATOM 975 CB ARG A 71 2.982 6.701 -3.759 1.00 13.50 C ATOM 976 CG ARG A 71 2.545 7.801 -4.712 1.00 73.20 C ATOM 977 CD ARG A 71 2.896 7.462 -6.151 1.00 44.50 C ATOM 978 NE ARG A 71 2.804 8.630 -7.026 1.00 11.30 N ATOM 979 CZ ARG A 71 2.995 8.587 -8.342 1.00 33.40 C ATOM 980 NH1 ARG A 71 3.284 7.436 -8.936 1.00 62.00 N ATOM 981 NH2 ARG A 71 2.891 9.693 -9.061 1.00 61.30 N ATOM 0 H ARG A 71 4.537 4.877 -3.162 1.00 43.10 H new ATOM 0 HA ARG A 71 4.924 7.622 -3.740 1.00 15.10 H new ATOM 0 HB2 ARG A 71 3.030 5.758 -4.304 1.00 13.50 H new ATOM 0 HB3 ARG A 71 2.226 6.583 -2.983 1.00 13.50 H new ATOM 0 HG2 ARG A 71 1.469 7.953 -4.625 1.00 73.20 H new ATOM 0 HG3 ARG A 71 3.024 8.739 -4.431 1.00 73.20 H new ATOM 0 HD2 ARG A 71 3.907 7.057 -6.192 1.00 44.50 H new ATOM 0 HD3 ARG A 71 2.226 6.683 -6.514 1.00 44.50 H new ATOM 0 HE ARG A 71 2.580 9.531 -6.603 1.00 11.30 H new ATOM 0 HH11 ARG A 71 3.360 6.582 -8.384 1.00 62.00 H new ATOM 0 HH12 ARG A 71 3.430 7.405 -9.945 1.00 62.00 H new ATOM 0 HH21 ARG A 71 2.665 10.578 -8.606 1.00 61.30 H new ATOM 0 HH22 ARG A 71 3.037 9.661 -10.070 1.00 61.30 H new ATOM 995 N ALA A 72 3.731 6.878 -0.753 1.00 14.30 N ATOM 996 CA ALA A 72 3.501 7.413 0.583 1.00 73.20 C ATOM 997 C ALA A 72 4.808 7.865 1.225 1.00 1.32 C ATOM 998 O ALA A 72 4.835 8.829 1.991 1.00 61.30 O ATOM 999 CB ALA A 72 2.814 6.375 1.457 1.00 72.30 C ATOM 0 H ALA A 72 3.556 5.877 -0.842 1.00 14.30 H new ATOM 0 HA ALA A 72 2.850 8.283 0.492 1.00 73.20 H new ATOM 0 HB1 ALA A 72 2.649 6.789 2.452 1.00 72.30 H new ATOM 0 HB2 ALA A 72 1.856 6.102 1.014 1.00 72.30 H new ATOM 0 HB3 ALA A 72 3.444 5.489 1.533 1.00 72.30 H new ATOM 1005 N GLU A 73 5.891 7.163 0.908 1.00 31.00 N ATOM 1006 CA GLU A 73 7.202 7.492 1.455 1.00 31.10 C ATOM 1007 C GLU A 73 7.632 8.893 1.029 1.00 41.40 C ATOM 1008 O GLU A 73 8.204 9.644 1.820 1.00 44.50 O ATOM 1009 CB GLU A 73 8.241 6.466 0.996 1.00 42.40 C ATOM 1010 CG GLU A 73 9.311 6.179 2.036 1.00 5.02 C ATOM 1011 CD GLU A 73 10.014 4.856 1.801 1.00 32.10 C ATOM 1012 OE1 GLU A 73 9.402 3.802 2.075 1.00 73.10 O ATOM 1013 OE2 GLU A 73 11.174 4.874 1.339 1.00 4.33 O ATOM 0 H GLU A 73 5.887 6.363 0.275 1.00 31.00 H new ATOM 0 HA GLU A 73 7.132 7.467 2.542 1.00 31.10 H new ATOM 0 HB2 GLU A 73 7.733 5.535 0.742 1.00 42.40 H new ATOM 0 HB3 GLU A 73 8.719 6.827 0.085 1.00 42.40 H new ATOM 0 HG2 GLU A 73 10.046 6.983 2.027 1.00 5.02 H new ATOM 0 HG3 GLU A 73 8.857 6.174 3.027 1.00 5.02 H new ATOM 1020 N LYS A 74 7.354 9.237 -0.224 1.00 53.40 N ATOM 1021 CA LYS A 74 7.712 10.548 -0.753 1.00 25.40 C ATOM 1022 C LYS A 74 6.924 11.651 -0.053 1.00 4.15 C ATOM 1023 O LYS A 74 7.487 12.670 0.346 1.00 42.10 O ATOM 1024 CB LYS A 74 7.455 10.599 -2.260 1.00 72.30 C ATOM 1025 CG LYS A 74 8.616 10.084 -3.093 1.00 4.14 C ATOM 1026 CD LYS A 74 8.736 10.840 -4.398 1.00 33.30 C ATOM 1027 CE LYS A 74 10.193 11.070 -4.778 1.00 75.30 C ATOM 1028 NZ LYS A 74 10.893 11.940 -3.793 1.00 11.40 N ATOM 0 H LYS A 74 6.882 8.627 -0.892 1.00 53.40 H new ATOM 0 HA LYS A 74 8.773 10.711 -0.566 1.00 25.40 H new ATOM 0 HB2 LYS A 74 6.566 10.011 -2.489 1.00 72.30 H new ATOM 0 HB3 LYS A 74 7.240 11.628 -2.549 1.00 72.30 H new ATOM 0 HG2 LYS A 74 9.543 10.181 -2.528 1.00 4.14 H new ATOM 0 HG3 LYS A 74 8.477 9.022 -3.297 1.00 4.14 H new ATOM 0 HD2 LYS A 74 8.236 10.282 -5.190 1.00 33.30 H new ATOM 0 HD3 LYS A 74 8.225 11.799 -4.312 1.00 33.30 H new ATOM 0 HE2 LYS A 74 10.707 10.111 -4.845 1.00 75.30 H new ATOM 0 HE3 LYS A 74 10.243 11.527 -5.766 1.00 75.30 H new ATOM 0 HZ1 LYS A 74 11.674 12.440 -4.264 1.00 11.40 H new ATOM 0 HZ2 LYS A 74 10.223 12.634 -3.404 1.00 11.40 H new ATOM 0 HZ3 LYS A 74 11.272 11.355 -3.021 1.00 11.40 H new ATOM 1042 N LEU A 75 5.621 11.440 0.093 1.00 74.20 N ATOM 1043 CA LEU A 75 4.756 12.416 0.745 1.00 41.40 C ATOM 1044 C LEU A 75 5.127 12.575 2.216 1.00 32.20 C ATOM 1045 O LEU A 75 5.113 13.681 2.754 1.00 5.35 O ATOM 1046 CB LEU A 75 3.291 11.996 0.619 1.00 2.42 C ATOM 1047 CG LEU A 75 2.826 11.688 -0.805 1.00 65.10 C ATOM 1048 CD1 LEU A 75 1.423 11.100 -0.794 1.00 51.20 C ATOM 1049 CD2 LEU A 75 2.872 12.944 -1.663 1.00 64.40 C ATOM 0 H LEU A 75 5.140 10.601 -0.232 1.00 74.20 H new ATOM 0 HA LEU A 75 4.895 13.376 0.248 1.00 41.40 H new ATOM 0 HB2 LEU A 75 3.128 11.113 1.237 1.00 2.42 H new ATOM 0 HB3 LEU A 75 2.665 12.790 1.026 1.00 2.42 H new ATOM 0 HG LEU A 75 3.503 10.951 -1.236 1.00 65.10 H new ATOM 0 HD11 LEU A 75 1.110 10.887 -1.816 1.00 51.20 H new ATOM 0 HD12 LEU A 75 1.420 10.177 -0.214 1.00 51.20 H new ATOM 0 HD13 LEU A 75 0.733 11.814 -0.344 1.00 51.20 H new ATOM 0 HD21 LEU A 75 2.538 12.707 -2.673 1.00 64.40 H new ATOM 0 HD22 LEU A 75 2.218 13.702 -1.233 1.00 64.40 H new ATOM 0 HD23 LEU A 75 3.893 13.323 -1.698 1.00 64.40 H new ATOM 1061 N LYS A 76 5.460 11.461 2.860 1.00 11.50 N ATOM 1062 CA LYS A 76 5.835 11.476 4.269 1.00 60.40 C ATOM 1063 C LYS A 76 7.061 12.356 4.496 1.00 50.10 C ATOM 1064 O LYS A 76 7.185 13.009 5.533 1.00 30.40 O ATOM 1065 CB LYS A 76 6.117 10.055 4.760 1.00 73.30 C ATOM 1066 CG LYS A 76 5.674 9.806 6.191 1.00 42.50 C ATOM 1067 CD LYS A 76 6.215 8.489 6.721 1.00 33.40 C ATOM 1068 CE LYS A 76 7.461 8.698 7.567 1.00 41.50 C ATOM 1069 NZ LYS A 76 7.512 7.763 8.724 1.00 0.21 N ATOM 0 H LYS A 76 5.478 10.537 2.429 1.00 11.50 H new ATOM 0 HA LYS A 76 5.001 11.890 4.836 1.00 60.40 H new ATOM 0 HB2 LYS A 76 5.612 9.346 4.104 1.00 73.30 H new ATOM 0 HB3 LYS A 76 7.186 9.858 4.680 1.00 73.30 H new ATOM 0 HG2 LYS A 76 6.016 10.623 6.826 1.00 42.50 H new ATOM 0 HG3 LYS A 76 4.585 9.799 6.240 1.00 42.50 H new ATOM 0 HD2 LYS A 76 5.449 7.993 7.317 1.00 33.40 H new ATOM 0 HD3 LYS A 76 6.447 7.828 5.886 1.00 33.40 H new ATOM 0 HE2 LYS A 76 8.347 8.558 6.948 1.00 41.50 H new ATOM 0 HE3 LYS A 76 7.485 9.726 7.930 1.00 41.50 H new ATOM 0 HZ1 LYS A 76 8.377 7.939 9.275 1.00 0.21 H new ATOM 0 HZ2 LYS A 76 6.680 7.914 9.329 1.00 0.21 H new ATOM 0 HZ3 LYS A 76 7.515 6.782 8.378 1.00 0.21 H new ATOM 1083 N GLU A 77 7.960 12.372 3.518 1.00 41.40 N ATOM 1084 CA GLU A 77 9.174 13.175 3.609 1.00 11.10 C ATOM 1085 C GLU A 77 8.862 14.650 3.386 1.00 32.10 C ATOM 1086 O GLU A 77 9.186 15.498 4.217 1.00 52.40 O ATOM 1087 CB GLU A 77 10.206 12.698 2.585 1.00 43.20 C ATOM 1088 CG GLU A 77 11.640 12.801 3.074 1.00 21.20 C ATOM 1089 CD GLU A 77 12.151 11.498 3.659 1.00 3.34 C ATOM 1090 OE1 GLU A 77 11.398 10.850 4.415 1.00 4.53 O ATOM 1091 OE2 GLU A 77 13.306 11.126 3.360 1.00 31.40 O ATOM 0 H GLU A 77 7.871 11.838 2.653 1.00 41.40 H new ATOM 0 HA GLU A 77 9.588 13.055 4.610 1.00 11.10 H new ATOM 0 HB2 GLU A 77 9.994 11.661 2.323 1.00 43.20 H new ATOM 0 HB3 GLU A 77 10.099 13.285 1.673 1.00 43.20 H new ATOM 0 HG2 GLU A 77 12.282 13.100 2.245 1.00 21.20 H new ATOM 0 HG3 GLU A 77 11.708 13.585 3.828 1.00 21.20 H new ATOM 1098 N TYR A 78 8.227 14.946 2.257 1.00 43.20 N ATOM 1099 CA TYR A 78 7.864 16.316 1.918 1.00 0.44 C ATOM 1100 C TYR A 78 6.928 16.901 2.977 1.00 12.10 C ATOM 1101 O TYR A 78 6.950 18.103 3.243 1.00 52.40 O ATOM 1102 CB TYR A 78 7.209 16.354 0.530 1.00 64.10 C ATOM 1103 CG TYR A 78 6.147 17.422 0.365 1.00 41.00 C ATOM 1104 CD1 TYR A 78 4.856 17.218 0.834 1.00 12.50 C ATOM 1105 CD2 TYR A 78 6.437 18.629 -0.257 1.00 11.20 C ATOM 1106 CE1 TYR A 78 3.883 18.188 0.689 1.00 50.10 C ATOM 1107 CE2 TYR A 78 5.469 19.605 -0.408 1.00 51.30 C ATOM 1108 CZ TYR A 78 4.194 19.379 0.067 1.00 52.30 C ATOM 1109 OH TYR A 78 3.227 20.347 -0.081 1.00 54.10 O ATOM 0 H TYR A 78 7.953 14.253 1.560 1.00 43.20 H new ATOM 0 HA TYR A 78 8.767 16.926 1.894 1.00 0.44 H new ATOM 0 HB2 TYR A 78 7.985 16.512 -0.219 1.00 64.10 H new ATOM 0 HB3 TYR A 78 6.762 15.381 0.326 1.00 64.10 H new ATOM 0 HD1 TYR A 78 4.609 16.286 1.320 1.00 12.50 H new ATOM 0 HD2 TYR A 78 7.435 18.809 -0.629 1.00 11.20 H new ATOM 0 HE1 TYR A 78 2.884 18.015 1.061 1.00 50.10 H new ATOM 0 HE2 TYR A 78 5.710 20.538 -0.895 1.00 51.30 H new ATOM 0 HH TYR A 78 3.610 21.125 -0.539 1.00 54.10 H new ATOM 1119 N LEU A 79 6.109 16.043 3.575 1.00 54.30 N ATOM 1120 CA LEU A 79 5.169 16.474 4.602 1.00 42.10 C ATOM 1121 C LEU A 79 5.899 16.850 5.886 1.00 53.50 C ATOM 1122 O LEU A 79 5.512 17.791 6.579 1.00 5.42 O ATOM 1123 CB LEU A 79 4.150 15.367 4.886 1.00 73.10 C ATOM 1124 CG LEU A 79 2.950 15.332 3.939 1.00 55.30 C ATOM 1125 CD1 LEU A 79 2.182 14.029 4.098 1.00 40.20 C ATOM 1126 CD2 LEU A 79 2.038 16.523 4.191 1.00 30.30 C ATOM 0 H LEU A 79 6.077 15.045 3.366 1.00 54.30 H new ATOM 0 HA LEU A 79 4.645 17.356 4.233 1.00 42.10 H new ATOM 0 HB2 LEU A 79 4.659 14.405 4.838 1.00 73.10 H new ATOM 0 HB3 LEU A 79 3.785 15.484 5.906 1.00 73.10 H new ATOM 0 HG LEU A 79 3.318 15.391 2.915 1.00 55.30 H new ATOM 0 HD11 LEU A 79 1.332 14.022 3.416 1.00 40.20 H new ATOM 0 HD12 LEU A 79 2.838 13.190 3.868 1.00 40.20 H new ATOM 0 HD13 LEU A 79 1.825 13.940 5.124 1.00 40.20 H new ATOM 0 HD21 LEU A 79 1.189 16.482 3.508 1.00 30.30 H new ATOM 0 HD22 LEU A 79 1.678 16.495 5.219 1.00 30.30 H new ATOM 0 HD23 LEU A 79 2.592 17.447 4.026 1.00 30.30 H new ATOM 1138 N LYS A 80 6.958 16.110 6.197 1.00 73.50 N ATOM 1139 CA LYS A 80 7.743 16.367 7.399 1.00 43.20 C ATOM 1140 C LYS A 80 8.782 17.455 7.148 1.00 3.22 C ATOM 1141 O LYS A 80 8.844 18.448 7.873 1.00 73.10 O ATOM 1142 CB LYS A 80 8.434 15.085 7.866 1.00 73.40 C ATOM 1143 CG LYS A 80 7.580 14.237 8.794 1.00 30.10 C ATOM 1144 CD LYS A 80 8.305 12.971 9.218 1.00 65.10 C ATOM 1145 CE LYS A 80 7.911 12.545 10.623 1.00 75.00 C ATOM 1146 NZ LYS A 80 9.059 11.959 11.369 1.00 1.23 N ATOM 0 H LYS A 80 7.292 15.328 5.634 1.00 73.50 H new ATOM 0 HA LYS A 80 7.064 16.711 8.179 1.00 43.20 H new ATOM 0 HB2 LYS A 80 8.708 14.491 6.994 1.00 73.40 H new ATOM 0 HB3 LYS A 80 9.361 15.347 8.377 1.00 73.40 H new ATOM 0 HG2 LYS A 80 7.314 14.818 9.677 1.00 30.10 H new ATOM 0 HG3 LYS A 80 6.648 13.973 8.293 1.00 30.10 H new ATOM 0 HD2 LYS A 80 8.078 12.168 8.516 1.00 65.10 H new ATOM 0 HD3 LYS A 80 9.382 13.136 9.176 1.00 65.10 H new ATOM 0 HE2 LYS A 80 7.525 13.406 11.169 1.00 75.00 H new ATOM 0 HE3 LYS A 80 7.103 11.815 10.568 1.00 75.00 H new ATOM 0 HZ1 LYS A 80 8.748 11.682 12.322 1.00 1.23 H new ATOM 0 HZ2 LYS A 80 9.411 11.122 10.862 1.00 1.23 H new ATOM 0 HZ3 LYS A 80 9.820 12.664 11.444 1.00 1.23 H new ATOM 1160 N ASN A 81 9.598 17.261 6.115 1.00 61.10 N ATOM 1161 CA ASN A 81 10.634 18.226 5.769 1.00 13.20 C ATOM 1162 C ASN A 81 10.025 19.584 5.438 1.00 13.20 C ATOM 1163 O ASN A 81 10.106 20.522 6.231 1.00 3.41 O ATOM 1164 CB ASN A 81 11.454 17.720 4.580 1.00 74.40 C ATOM 1165 CG ASN A 81 12.588 16.807 5.006 1.00 35.20 C ATOM 1166 OD1 ASN A 81 12.621 16.328 6.139 1.00 64.20 O ATOM 1167 ND2 ASN A 81 13.524 16.563 4.098 1.00 22.20 N ATOM 0 H ASN A 81 9.561 16.445 5.504 1.00 61.10 H new ATOM 0 HA ASN A 81 11.289 18.342 6.632 1.00 13.20 H new ATOM 0 HB2 ASN A 81 10.799 17.185 3.892 1.00 74.40 H new ATOM 0 HB3 ASN A 81 11.862 18.571 4.035 1.00 74.40 H new ATOM 0 HD21 ASN A 81 14.311 15.957 4.327 1.00 22.20 H new ATOM 0 HD22 ASN A 81 13.456 16.982 3.170 1.00 22.20 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 9.394 -10.284 -1.985 1.00 1.31 N ATOM 1176 CA ASP B 116 8.297 -10.038 -1.056 1.00 4.14 C ATOM 1177 C ASP B 116 8.819 -9.488 0.269 1.00 23.30 C ATOM 1178 O ASP B 116 8.138 -8.714 0.942 1.00 33.50 O ATOM 1179 CB ASP B 116 7.509 -11.325 -0.812 1.00 24.30 C ATOM 1180 CG ASP B 116 8.359 -12.419 -0.194 1.00 54.30 C ATOM 1181 OD1 ASP B 116 8.831 -12.225 0.947 1.00 11.00 O ATOM 1182 OD2 ASP B 116 8.553 -13.465 -0.851 1.00 42.10 O ATOM 0 HA ASP B 116 7.636 -9.295 -1.502 1.00 4.14 H new ATOM 0 HB2 ASP B 116 6.665 -11.111 -0.156 1.00 24.30 H new ATOM 0 HB3 ASP B 116 7.097 -11.680 -1.757 1.00 24.30 H new ATOM 1187 N GLU B 117 10.030 -9.892 0.635 1.00 55.30 N ATOM 1188 CA GLU B 117 10.646 -9.448 1.879 1.00 64.20 C ATOM 1189 C GLU B 117 10.790 -7.923 1.895 1.00 33.30 C ATOM 1190 O GLU B 117 10.720 -7.293 2.950 1.00 60.50 O ATOM 1191 CB GLU B 117 12.013 -10.101 2.066 1.00 32.20 C ATOM 1192 CG GLU B 117 12.353 -10.394 3.517 1.00 34.10 C ATOM 1193 CD GLU B 117 13.064 -11.728 3.693 1.00 42.20 C ATOM 1194 OE1 GLU B 117 14.124 -11.918 3.066 1.00 55.40 O ATOM 1195 OE2 GLU B 117 12.553 -12.571 4.457 1.00 1.30 O ATOM 0 H GLU B 117 10.606 -10.529 0.085 1.00 55.30 H new ATOM 0 HA GLU B 117 9.998 -9.749 2.702 1.00 64.20 H new ATOM 0 HB2 GLU B 117 12.042 -11.032 1.499 1.00 32.20 H new ATOM 0 HB3 GLU B 117 12.779 -9.448 1.647 1.00 32.20 H new ATOM 0 HG2 GLU B 117 12.984 -9.596 3.907 1.00 34.10 H new ATOM 0 HG3 GLU B 117 11.437 -10.394 4.108 1.00 34.10 H new ATOM 1202 N GLU B 118 10.994 -7.346 0.716 1.00 20.10 N ATOM 1203 CA GLU B 118 11.148 -5.898 0.594 1.00 21.50 C ATOM 1204 C GLU B 118 9.817 -5.194 0.801 1.00 14.20 C ATOM 1205 O GLU B 118 9.753 -4.147 1.445 1.00 11.30 O ATOM 1206 CB GLU B 118 11.725 -5.546 -0.779 1.00 43.40 C ATOM 1207 CG GLU B 118 13.228 -5.712 -0.871 1.00 0.13 C ATOM 1208 CD GLU B 118 13.982 -4.422 -0.628 1.00 70.00 C ATOM 1209 OE1 GLU B 118 13.684 -3.741 0.378 1.00 65.40 O ATOM 1210 OE2 GLU B 118 14.867 -4.088 -1.444 1.00 33.00 O ATOM 0 H GLU B 118 11.057 -7.854 -0.166 1.00 20.10 H new ATOM 0 HA GLU B 118 11.837 -5.558 1.367 1.00 21.50 H new ATOM 0 HB2 GLU B 118 11.252 -6.175 -1.534 1.00 43.40 H new ATOM 0 HB3 GLU B 118 11.467 -4.514 -1.017 1.00 43.40 H new ATOM 0 HG2 GLU B 118 13.551 -6.457 -0.144 1.00 0.13 H new ATOM 0 HG3 GLU B 118 13.486 -6.097 -1.858 1.00 0.13 H new ATOM 1217 N ILE B 119 8.750 -5.763 0.251 1.00 1.22 N ATOM 1218 CA ILE B 119 7.421 -5.194 0.375 1.00 74.20 C ATOM 1219 C ILE B 119 6.897 -5.325 1.802 1.00 34.50 C ATOM 1220 O ILE B 119 6.310 -4.390 2.347 1.00 53.10 O ATOM 1221 CB ILE B 119 6.424 -5.866 -0.590 1.00 32.10 C ATOM 1222 CG1 ILE B 119 6.997 -5.895 -2.008 1.00 32.00 C ATOM 1223 CG2 ILE B 119 5.089 -5.137 -0.565 1.00 44.00 C ATOM 1224 CD1 ILE B 119 6.072 -6.539 -3.019 1.00 72.30 C ATOM 0 H ILE B 119 8.785 -6.627 -0.290 1.00 1.22 H new ATOM 0 HA ILE B 119 7.507 -4.139 0.116 1.00 74.20 H new ATOM 0 HB ILE B 119 6.259 -6.893 -0.264 1.00 32.10 H new ATOM 0 HG12 ILE B 119 7.215 -4.875 -2.324 1.00 32.00 H new ATOM 0 HG13 ILE B 119 7.944 -6.435 -1.998 1.00 32.00 H new ATOM 0 HG21 ILE B 119 4.396 -5.623 -1.251 1.00 44.00 H new ATOM 0 HG22 ILE B 119 4.679 -5.164 0.444 1.00 44.00 H new ATOM 0 HG23 ILE B 119 5.235 -4.101 -0.870 1.00 44.00 H new ATOM 0 HD11 ILE B 119 6.542 -6.525 -4.002 1.00 72.30 H new ATOM 0 HD12 ILE B 119 5.874 -7.570 -2.726 1.00 72.30 H new ATOM 0 HD13 ILE B 119 5.133 -5.986 -3.057 1.00 72.30 H new ATOM 1236 N GLU B 120 7.111 -6.485 2.402 1.00 13.20 N ATOM 1237 CA GLU B 120 6.663 -6.744 3.765 1.00 1.15 C ATOM 1238 C GLU B 120 7.316 -5.772 4.742 1.00 54.50 C ATOM 1239 O GLU B 120 6.643 -5.189 5.594 1.00 1.31 O ATOM 1240 CB GLU B 120 6.984 -8.184 4.171 1.00 40.10 C ATOM 1241 CG GLU B 120 6.119 -8.703 5.308 1.00 43.40 C ATOM 1242 CD GLU B 120 6.903 -9.527 6.307 1.00 13.20 C ATOM 1243 OE1 GLU B 120 7.491 -10.546 5.899 1.00 42.40 O ATOM 1244 OE2 GLU B 120 6.926 -9.147 7.498 1.00 75.50 O ATOM 0 H GLU B 120 7.596 -7.269 1.964 1.00 13.20 H new ATOM 0 HA GLU B 120 5.583 -6.600 3.798 1.00 1.15 H new ATOM 0 HB2 GLU B 120 6.859 -8.833 3.305 1.00 40.10 H new ATOM 0 HB3 GLU B 120 8.032 -8.245 4.466 1.00 40.10 H new ATOM 0 HG2 GLU B 120 5.656 -7.860 5.821 1.00 43.40 H new ATOM 0 HG3 GLU B 120 5.311 -9.309 4.898 1.00 43.40 H new ATOM 1251 N ARG B 121 8.627 -5.602 4.614 1.00 44.10 N ATOM 1252 CA ARG B 121 9.369 -4.698 5.487 1.00 42.10 C ATOM 1253 C ARG B 121 8.919 -3.255 5.284 1.00 20.20 C ATOM 1254 O ARG B 121 8.868 -2.472 6.232 1.00 3.05 O ATOM 1255 CB ARG B 121 10.871 -4.819 5.222 1.00 75.20 C ATOM 1256 CG ARG B 121 11.526 -5.979 5.953 1.00 10.30 C ATOM 1257 CD ARG B 121 12.952 -5.644 6.360 1.00 74.40 C ATOM 1258 NE ARG B 121 13.836 -6.794 6.244 1.00 42.10 N ATOM 1259 CZ ARG B 121 15.110 -6.793 6.628 1.00 43.50 C ATOM 1260 NH1 ARG B 121 15.653 -5.706 7.153 1.00 70.20 N ATOM 1261 NH2 ARG B 121 15.847 -7.890 6.488 1.00 61.40 N ATOM 0 H ARG B 121 9.198 -6.077 3.915 1.00 44.10 H new ATOM 0 HA ARG B 121 9.165 -4.981 6.520 1.00 42.10 H new ATOM 0 HB2 ARG B 121 11.034 -4.937 4.151 1.00 75.20 H new ATOM 0 HB3 ARG B 121 11.360 -3.891 5.519 1.00 75.20 H new ATOM 0 HG2 ARG B 121 10.942 -6.229 6.839 1.00 10.30 H new ATOM 0 HG3 ARG B 121 11.526 -6.861 5.312 1.00 10.30 H new ATOM 0 HD2 ARG B 121 13.327 -4.834 5.734 1.00 74.40 H new ATOM 0 HD3 ARG B 121 12.960 -5.283 7.388 1.00 74.40 H new ATOM 0 HE ARG B 121 13.456 -7.652 5.844 1.00 42.10 H new ATOM 0 HH11 ARG B 121 15.094 -4.860 7.266 1.00 70.20 H new ATOM 0 HH12 ARG B 121 16.630 -5.714 7.445 1.00 70.20 H new ATOM 0 HH21 ARG B 121 15.436 -8.733 6.086 1.00 61.40 H new ATOM 0 HH22 ARG B 121 16.824 -7.889 6.782 1.00 61.40 H new ATOM 1275 N GLN B 122 8.596 -2.910 4.042 1.00 23.50 N ATOM 1276 CA GLN B 122 8.151 -1.560 3.715 1.00 3.35 C ATOM 1277 C GLN B 122 6.882 -1.205 4.482 1.00 62.50 C ATOM 1278 O GLN B 122 6.738 -0.090 4.984 1.00 33.30 O ATOM 1279 CB GLN B 122 7.904 -1.432 2.211 1.00 72.20 C ATOM 1280 CG GLN B 122 9.148 -1.060 1.419 1.00 33.00 C ATOM 1281 CD GLN B 122 8.861 -0.053 0.323 1.00 1.22 C ATOM 1282 OE1 GLN B 122 9.502 0.995 0.243 1.00 61.50 O ATOM 1283 NE2 GLN B 122 7.892 -0.367 -0.530 1.00 12.40 N ATOM 0 H GLN B 122 8.634 -3.546 3.246 1.00 23.50 H new ATOM 0 HA GLN B 122 8.938 -0.864 4.007 1.00 3.35 H new ATOM 0 HB2 GLN B 122 7.512 -2.377 1.834 1.00 72.20 H new ATOM 0 HB3 GLN B 122 7.136 -0.678 2.040 1.00 72.20 H new ATOM 0 HG2 GLN B 122 9.897 -0.650 2.097 1.00 33.00 H new ATOM 0 HG3 GLN B 122 9.576 -1.960 0.978 1.00 33.00 H new ATOM 0 HE21 GLN B 122 7.386 -1.247 -0.426 1.00 12.40 H new ATOM 0 HE22 GLN B 122 7.654 0.272 -1.289 1.00 12.40 H new ATOM 1292 N LEU B 123 5.962 -2.161 4.570 1.00 73.40 N ATOM 1293 CA LEU B 123 4.704 -1.949 5.276 1.00 1.40 C ATOM 1294 C LEU B 123 4.953 -1.644 6.750 1.00 45.10 C ATOM 1295 O LEU B 123 4.439 -0.662 7.286 1.00 32.50 O ATOM 1296 CB LEU B 123 3.806 -3.180 5.143 1.00 41.40 C ATOM 1297 CG LEU B 123 2.917 -3.201 3.899 1.00 53.00 C ATOM 1298 CD1 LEU B 123 3.648 -3.845 2.730 1.00 41.10 C ATOM 1299 CD2 LEU B 123 1.617 -3.938 4.187 1.00 51.40 C ATOM 0 H LEU B 123 6.065 -3.090 4.161 1.00 73.40 H new ATOM 0 HA LEU B 123 4.203 -1.092 4.825 1.00 1.40 H new ATOM 0 HB2 LEU B 123 4.435 -4.070 5.137 1.00 41.40 H new ATOM 0 HB3 LEU B 123 3.171 -3.245 6.026 1.00 41.40 H new ATOM 0 HG LEU B 123 2.678 -2.172 3.629 1.00 53.00 H new ATOM 0 HD11 LEU B 123 2.999 -3.851 1.854 1.00 41.10 H new ATOM 0 HD12 LEU B 123 4.552 -3.277 2.509 1.00 41.10 H new ATOM 0 HD13 LEU B 123 3.917 -4.869 2.989 1.00 41.10 H new ATOM 0 HD21 LEU B 123 0.996 -3.944 3.291 1.00 51.40 H new ATOM 0 HD22 LEU B 123 1.838 -4.964 4.482 1.00 51.40 H new ATOM 0 HD23 LEU B 123 1.085 -3.435 4.994 1.00 51.40 H new ATOM 1311 N LYS B 124 5.744 -2.491 7.399 1.00 61.50 N ATOM 1312 CA LYS B 124 6.060 -2.311 8.811 1.00 54.30 C ATOM 1313 C LYS B 124 6.765 -0.979 9.046 1.00 52.40 C ATOM 1314 O LYS B 124 6.616 -0.365 10.102 1.00 4.01 O ATOM 1315 CB LYS B 124 6.939 -3.460 9.308 1.00 21.30 C ATOM 1316 CG LYS B 124 6.993 -3.574 10.823 1.00 51.00 C ATOM 1317 CD LYS B 124 7.093 -5.024 11.270 1.00 23.40 C ATOM 1318 CE LYS B 124 6.270 -5.277 12.522 1.00 14.40 C ATOM 1319 NZ LYS B 124 5.621 -6.617 12.500 1.00 52.20 N ATOM 0 H LYS B 124 6.178 -3.308 6.970 1.00 61.50 H new ATOM 0 HA LYS B 124 5.124 -2.309 9.370 1.00 54.30 H new ATOM 0 HB2 LYS B 124 6.566 -4.397 8.895 1.00 21.30 H new ATOM 0 HB3 LYS B 124 7.951 -3.324 8.926 1.00 21.30 H new ATOM 0 HG2 LYS B 124 7.850 -3.016 11.200 1.00 51.00 H new ATOM 0 HG3 LYS B 124 6.101 -3.120 11.255 1.00 51.00 H new ATOM 0 HD2 LYS B 124 6.749 -5.678 10.469 1.00 23.40 H new ATOM 0 HD3 LYS B 124 8.136 -5.276 11.461 1.00 23.40 H new ATOM 0 HE2 LYS B 124 6.912 -5.199 13.400 1.00 14.40 H new ATOM 0 HE3 LYS B 124 5.506 -4.505 12.616 1.00 14.40 H new ATOM 0 HZ1 LYS B 124 5.069 -6.750 13.372 1.00 52.20 H new ATOM 0 HZ2 LYS B 124 4.989 -6.683 11.677 1.00 52.20 H new ATOM 0 HZ3 LYS B 124 6.351 -7.355 12.436 1.00 52.20 H new ATOM 1333 N ALA B 125 7.531 -0.538 8.054 1.00 24.30 N ATOM 1334 CA ALA B 125 8.258 0.723 8.152 1.00 11.30 C ATOM 1335 C ALA B 125 7.299 1.901 8.276 1.00 74.00 C ATOM 1336 O ALA B 125 7.354 2.661 9.243 1.00 22.20 O ATOM 1337 CB ALA B 125 9.166 0.903 6.946 1.00 4.23 C ATOM 0 H ALA B 125 7.665 -1.035 7.173 1.00 24.30 H new ATOM 0 HA ALA B 125 8.871 0.692 9.053 1.00 11.30 H new ATOM 0 HB1 ALA B 125 9.702 1.848 7.032 1.00 4.23 H new ATOM 0 HB2 ALA B 125 9.882 0.082 6.904 1.00 4.23 H new ATOM 0 HB3 ALA B 125 8.566 0.908 6.036 1.00 4.23 H new ATOM 1343 N LEU B 126 6.418 2.047 7.292 1.00 42.00 N ATOM 1344 CA LEU B 126 5.446 3.134 7.290 1.00 32.00 C ATOM 1345 C LEU B 126 4.363 2.896 8.338 1.00 13.40 C ATOM 1346 O LEU B 126 3.981 3.810 9.068 1.00 52.20 O ATOM 1347 CB LEU B 126 4.810 3.276 5.906 1.00 31.10 C ATOM 1348 CG LEU B 126 5.752 3.779 4.810 1.00 75.10 C ATOM 1349 CD1 LEU B 126 5.197 3.440 3.435 1.00 43.40 C ATOM 1350 CD2 LEU B 126 5.972 5.278 4.944 1.00 1.10 C ATOM 0 H LEU B 126 6.357 1.426 6.485 1.00 42.00 H new ATOM 0 HA LEU B 126 5.970 4.057 7.537 1.00 32.00 H new ATOM 0 HB2 LEU B 126 4.411 2.307 5.605 1.00 31.10 H new ATOM 0 HB3 LEU B 126 3.965 3.960 5.980 1.00 31.10 H new ATOM 0 HG LEU B 126 6.714 3.280 4.925 1.00 75.10 H new ATOM 0 HD11 LEU B 126 5.879 3.805 2.667 1.00 43.40 H new ATOM 0 HD12 LEU B 126 5.091 2.359 3.342 1.00 43.40 H new ATOM 0 HD13 LEU B 126 4.223 3.913 3.309 1.00 43.40 H new ATOM 0 HD21 LEU B 126 6.644 5.619 4.157 1.00 1.10 H new ATOM 0 HD22 LEU B 126 5.017 5.795 4.855 1.00 1.10 H new ATOM 0 HD23 LEU B 126 6.413 5.496 5.917 1.00 1.10 H new ATOM 1362 N GLY B 127 3.872 1.662 8.404 1.00 60.50 N ATOM 1363 CA GLY B 127 2.837 1.327 9.366 1.00 33.40 C ATOM 1364 C GLY B 127 3.369 0.513 10.529 1.00 40.30 C ATOM 1365 O GLY B 127 4.109 -0.451 10.333 1.00 61.30 O ATOM 0 H GLY B 127 4.172 0.889 7.810 1.00 60.50 H new ATOM 0 HA2 GLY B 127 2.386 2.244 9.745 1.00 33.40 H new ATOM 0 HA3 GLY B 127 2.047 0.767 8.865 1.00 33.40 H new ATOM 1369 N VAL B 128 2.990 0.900 11.742 1.00 1.12 N ATOM 1370 CA VAL B 128 3.433 0.199 12.940 1.00 25.20 C ATOM 1371 C VAL B 128 2.793 0.795 14.192 1.00 1.45 C ATOM 1372 O VAL B 128 2.729 2.015 14.348 1.00 72.20 O ATOM 1373 CB VAL B 128 4.967 0.245 13.084 1.00 43.10 C ATOM 1374 CG1 VAL B 128 5.452 1.682 13.212 1.00 70.10 C ATOM 1375 CG2 VAL B 128 5.420 -0.588 14.274 1.00 52.10 C ATOM 0 H VAL B 128 2.377 1.695 11.921 1.00 1.12 H new ATOM 0 HA VAL B 128 3.119 -0.840 12.835 1.00 25.20 H new ATOM 0 HB VAL B 128 5.408 -0.182 12.184 1.00 43.10 H new ATOM 0 HG11 VAL B 128 6.537 1.692 13.313 1.00 70.10 H new ATOM 0 HG12 VAL B 128 5.165 2.244 12.323 1.00 70.10 H new ATOM 0 HG13 VAL B 128 5.002 2.141 14.092 1.00 70.10 H new ATOM 0 HG21 VAL B 128 6.506 -0.542 14.358 1.00 52.10 H new ATOM 0 HG22 VAL B 128 4.969 -0.196 15.185 1.00 52.10 H new ATOM 0 HG23 VAL B 128 5.110 -1.623 14.132 1.00 52.10 H new ATOM 1385 N ASP B 129 2.322 -0.074 15.080 1.00 0.32 N ATOM 1386 CA ASP B 129 1.688 0.366 16.317 1.00 21.30 C ATOM 1387 C ASP B 129 2.608 0.135 17.512 1.00 24.20 C ATOM 1388 O ASP B 129 2.916 -1.041 17.802 1.00 72.10 O ATOM 1389 CB ASP B 129 0.365 -0.372 16.528 1.00 64.00 C ATOM 1390 CG ASP B 129 -0.811 0.360 15.912 1.00 25.40 C ATOM 1391 OD1 ASP B 129 -0.796 0.577 14.682 1.00 5.44 O ATOM 1392 OD2 ASP B 129 -1.745 0.717 16.660 1.00 15.10 O ATOM 1393 OXT ASP B 129 3.014 1.132 18.147 1.00 36.00 O ATOM 0 H ASP B 129 2.367 -1.087 14.966 1.00 0.32 H new ATOM 0 HA ASP B 129 1.491 1.435 16.234 1.00 21.30 H new ATOM 0 HB2 ASP B 129 0.436 -1.370 16.095 1.00 64.00 H new ATOM 0 HB3 ASP B 129 0.190 -0.500 17.596 1.00 64.00 H new TER 1398 ASP B 129