USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1085 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 52 THR OG1 : rot -1:sc= -0.397 USER MOD Set 1.2: A 87 GLN : amide:sc= -0.0229 K(o=-0.42,f=-0.92) USER MOD Set 2.1: A 67 CYS SG : rot 80:sc= -3.45! USER MOD Set 2.2: A 71 CYS SG : rot 93:sc= 0.365 USER MOD Set 3.1: A 22 ASN : amide:sc= -2.94 X(o=-7.9,f=-8.2!) USER MOD Set 3.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 37 TYR OH : rot -120:sc= -4.94! USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.96 (180deg=1.76) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00318) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0377 USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= 0.203 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.2) USER MOD Single : A 36 HIS : no HE2:sc= 0.573 K(o=0.57,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0583) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc=-0.00748 (180deg=-0.109) USER MOD Single : A 46 THR OG1 : rot 12:sc= 1.19 USER MOD Single : A 47 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.89) USER MOD Single : A 48 MET CE :methyl -123:sc= -6.67! (180deg=-9.13!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0292 USER MOD Single : A 53 ASN : amide:sc= -17.8! C(o=-18!,f=-24!) USER MOD Single : A 54 GLN : amide:sc= -5.65! C(o=-5.6!,f=-4.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0486 USER MOD Single : A 61 LYS NZ :NH3+ 139:sc= -0.925 (180deg=-3.41!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0754) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0305) USER MOD Single : A 81 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.45) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= -0.0152 (180deg=-0.161) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.99) USER MOD Single : A 98 SER OG : rot 7:sc= 0.951 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 144:sc= 1.16 (180deg=0.847) USER MOD Single : A 105 TYR OH : rot 62:sc= 0.0563 USER MOD Single : A 106 LYS NZ :NH3+ 154:sc= 0.0384 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.0157 K(o=-0.016,f=-0.74) USER MOD Single : A 112 TYR OH : rot -167:sc= -0.422 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 116:sc= -2.22! USER MOD Single : A 119 HIS : no HE2:sc= -1.97 K(o=-2,f=-4.8!) USER MOD Single : A 121 THR OG1 : rot -73:sc= 0.205 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 170:sc= 0.83 (180deg=0.519) USER MOD Single : A 128 CYS SG : rot -40:sc= -3.14! USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 130 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.76) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -5.15! C(o=-5.2!,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.112 -6.650 2.200 1.00 1.26 N ATOM 2 CA GLU A 9 24.654 -6.371 0.822 1.00 1.05 C ATOM 3 C GLU A 9 23.637 -5.233 0.839 1.00 0.90 C ATOM 4 O GLU A 9 23.224 -4.790 1.912 1.00 0.98 O ATOM 5 CB GLU A 9 24.040 -7.638 0.192 1.00 1.37 C ATOM 6 CG GLU A 9 23.732 -7.509 -1.290 1.00 2.20 C ATOM 7 CD GLU A 9 24.921 -7.029 -2.085 1.00 2.80 C ATOM 8 OE1 GLU A 9 25.820 -7.840 -2.377 1.00 3.26 O ATOM 9 OE2 GLU A 9 24.966 -5.825 -2.403 1.00 3.20 O ATOM 0 HA GLU A 9 25.509 -6.071 0.216 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.726 -8.472 0.338 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.121 -7.885 0.723 1.00 1.37 H new ATOM 0 HG2 GLU A 9 23.406 -8.475 -1.676 1.00 2.20 H new ATOM 0 HG3 GLU A 9 22.903 -6.815 -1.427 1.00 2.20 H new ATOM 18 N ASN A 10 23.235 -4.767 -0.341 1.00 0.79 N ATOM 19 CA ASN A 10 22.218 -3.723 -0.472 1.00 0.66 C ATOM 20 C ASN A 10 20.945 -4.078 0.295 1.00 0.59 C ATOM 21 O ASN A 10 20.182 -3.205 0.682 1.00 0.53 O ATOM 22 CB ASN A 10 21.878 -3.503 -1.948 1.00 0.62 C ATOM 23 CG ASN A 10 23.043 -2.951 -2.743 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.855 -2.182 -2.230 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.140 -3.352 -3.997 1.00 1.45 N ATOM 0 H ASN A 10 23.603 -5.100 -1.232 1.00 0.79 H new ATOM 0 HA ASN A 10 22.629 -2.808 -0.046 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.560 -4.448 -2.388 1.00 0.62 H new ATOM 0 HB3 ASN A 10 21.035 -2.816 -2.023 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.910 -3.023 -4.579 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.445 -3.991 -4.383 1.00 1.45 H new ATOM 32 N LYS A 11 20.746 -5.363 0.534 1.00 0.63 N ATOM 33 CA LYS A 11 19.543 -5.863 1.190 1.00 0.62 C ATOM 34 C LYS A 11 19.379 -5.271 2.590 1.00 0.62 C ATOM 35 O LYS A 11 18.309 -4.769 2.942 1.00 0.58 O ATOM 36 CB LYS A 11 19.588 -7.391 1.260 1.00 0.71 C ATOM 37 CG LYS A 11 19.271 -8.090 -0.057 1.00 0.79 C ATOM 38 CD LYS A 11 20.194 -7.670 -1.191 1.00 1.12 C ATOM 39 CE LYS A 11 19.634 -8.069 -2.546 1.00 1.50 C ATOM 40 NZ LYS A 11 18.455 -7.245 -2.923 1.00 2.19 N ATOM 0 H LYS A 11 21.413 -6.092 0.280 1.00 0.63 H new ATOM 0 HA LYS A 11 18.681 -5.553 0.599 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.580 -7.699 1.591 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.880 -7.729 2.017 1.00 0.71 H new ATOM 0 HG2 LYS A 11 19.345 -9.168 0.084 1.00 0.79 H new ATOM 0 HG3 LYS A 11 18.240 -7.875 -0.337 1.00 0.79 H new ATOM 0 HD2 LYS A 11 20.340 -6.590 -1.161 1.00 1.12 H new ATOM 0 HD3 LYS A 11 21.173 -8.128 -1.052 1.00 1.12 H new ATOM 0 HE2 LYS A 11 20.409 -7.962 -3.305 1.00 1.50 H new ATOM 0 HE3 LYS A 11 19.350 -9.121 -2.526 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 18.228 -7.403 -3.925 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 17.640 -7.516 -2.336 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 18.672 -6.239 -2.771 1.00 2.19 H new ATOM 54 N LYS A 12 20.443 -5.322 3.380 1.00 0.70 N ATOM 55 CA LYS A 12 20.423 -4.754 4.723 1.00 0.74 C ATOM 56 C LYS A 12 20.254 -3.244 4.656 1.00 0.66 C ATOM 57 O LYS A 12 19.463 -2.662 5.397 1.00 0.63 O ATOM 58 CB LYS A 12 21.709 -5.097 5.467 1.00 0.90 C ATOM 59 CG LYS A 12 21.869 -6.575 5.757 1.00 1.54 C ATOM 60 CD LYS A 12 23.273 -6.888 6.237 1.00 2.02 C ATOM 61 CE LYS A 12 23.450 -8.368 6.523 1.00 2.38 C ATOM 62 NZ LYS A 12 24.850 -8.685 6.900 1.00 2.83 N ATOM 0 H LYS A 12 21.330 -5.750 3.115 1.00 0.70 H new ATOM 0 HA LYS A 12 19.579 -5.182 5.263 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.561 -4.757 4.878 1.00 0.90 H new ATOM 0 HB3 LYS A 12 21.732 -4.547 6.408 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.146 -6.881 6.513 1.00 1.54 H new ATOM 0 HG3 LYS A 12 21.652 -7.151 4.857 1.00 1.54 H new ATOM 0 HD2 LYS A 12 23.994 -6.574 5.482 1.00 2.02 H new ATOM 0 HD3 LYS A 12 23.486 -6.315 7.139 1.00 2.02 H new ATOM 0 HE2 LYS A 12 22.779 -8.667 7.328 1.00 2.38 H new ATOM 0 HE3 LYS A 12 23.169 -8.946 5.643 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 24.936 -9.704 7.089 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 25.487 -8.422 6.121 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 25.109 -8.152 7.754 1.00 2.83 H new ATOM 76 N GLN A 13 20.989 -2.618 3.746 1.00 0.64 N ATOM 77 CA GLN A 13 20.925 -1.187 3.563 1.00 0.59 C ATOM 78 C GLN A 13 19.541 -0.766 3.079 1.00 0.50 C ATOM 79 O GLN A 13 19.110 0.354 3.323 1.00 0.49 O ATOM 80 CB GLN A 13 21.991 -0.747 2.567 1.00 0.62 C ATOM 81 CG GLN A 13 22.377 0.703 2.722 1.00 0.90 C ATOM 82 CD GLN A 13 23.428 1.138 1.725 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.109 1.582 0.624 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.690 1.026 2.106 1.00 2.26 N ATOM 0 H GLN A 13 21.641 -3.091 3.120 1.00 0.64 H new ATOM 0 HA GLN A 13 21.111 -0.703 4.522 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.877 -1.369 2.693 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.625 -0.914 1.554 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.490 1.325 2.603 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.750 0.869 3.733 1.00 0.90 H new ATOM 0 HE21 GLN A 13 24.913 0.652 3.029 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.440 1.313 1.477 1.00 2.26 H new ATOM 93 N ALA A 14 18.852 -1.670 2.390 1.00 0.46 N ATOM 94 CA ALA A 14 17.494 -1.415 1.932 1.00 0.38 C ATOM 95 C ALA A 14 16.571 -1.207 3.119 1.00 0.39 C ATOM 96 O ALA A 14 15.661 -0.382 3.075 1.00 0.36 O ATOM 97 CB ALA A 14 16.988 -2.561 1.065 1.00 0.36 C ATOM 0 H ALA A 14 19.215 -2.589 2.137 1.00 0.46 H new ATOM 0 HA ALA A 14 17.502 -0.508 1.327 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.971 -2.346 0.735 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.635 -2.673 0.195 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.995 -3.485 1.643 1.00 0.36 H new ATOM 103 N LEU A 15 16.812 -1.962 4.183 1.00 0.45 N ATOM 104 CA LEU A 15 16.049 -1.795 5.409 1.00 0.47 C ATOM 105 C LEU A 15 16.329 -0.420 5.998 1.00 0.49 C ATOM 106 O LEU A 15 15.422 0.263 6.474 1.00 0.49 O ATOM 107 CB LEU A 15 16.405 -2.889 6.420 1.00 0.54 C ATOM 108 CG LEU A 15 15.621 -2.843 7.734 1.00 1.13 C ATOM 109 CD1 LEU A 15 14.150 -3.141 7.492 1.00 1.98 C ATOM 110 CD2 LEU A 15 16.203 -3.824 8.737 1.00 1.31 C ATOM 0 H LEU A 15 17.525 -2.691 4.221 1.00 0.45 H new ATOM 0 HA LEU A 15 14.987 -1.879 5.179 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.242 -3.860 5.952 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.469 -2.819 6.648 1.00 0.54 H new ATOM 0 HG LEU A 15 15.704 -1.837 8.146 1.00 1.13 H new ATOM 0 HD11 LEU A 15 13.611 -3.103 8.438 1.00 1.98 H new ATOM 0 HD12 LEU A 15 13.736 -2.399 6.809 1.00 1.98 H new ATOM 0 HD13 LEU A 15 14.047 -4.134 7.055 1.00 1.98 H new ATOM 0 HD21 LEU A 15 15.633 -3.777 9.665 1.00 1.31 H new ATOM 0 HD22 LEU A 15 16.152 -4.834 8.330 1.00 1.31 H new ATOM 0 HD23 LEU A 15 17.243 -3.566 8.937 1.00 1.31 H new ATOM 122 N LYS A 16 17.590 -0.015 5.931 1.00 0.51 N ATOM 123 CA LYS A 16 18.010 1.289 6.418 1.00 0.54 C ATOM 124 C LYS A 16 17.375 2.398 5.580 1.00 0.48 C ATOM 125 O LYS A 16 16.859 3.377 6.119 1.00 0.49 O ATOM 126 CB LYS A 16 19.537 1.397 6.373 1.00 0.62 C ATOM 127 CG LYS A 16 20.087 2.620 7.085 1.00 0.79 C ATOM 128 CD LYS A 16 19.825 2.555 8.581 1.00 1.64 C ATOM 129 CE LYS A 16 20.364 3.781 9.293 1.00 1.89 C ATOM 130 NZ LYS A 16 20.168 3.699 10.762 1.00 2.88 N ATOM 0 H LYS A 16 18.345 -0.578 5.540 1.00 0.51 H new ATOM 0 HA LYS A 16 17.679 1.403 7.450 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.968 0.502 6.822 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.860 1.419 5.332 1.00 0.62 H new ATOM 0 HG2 LYS A 16 21.159 2.696 6.905 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.630 3.519 6.673 1.00 0.79 H new ATOM 0 HD2 LYS A 16 18.753 2.470 8.760 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.289 1.659 8.994 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.426 3.890 9.074 1.00 1.89 H new ATOM 0 HE3 LYS A 16 19.866 4.672 8.910 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 20.550 4.556 11.212 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 19.153 3.620 10.973 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 20.664 2.863 11.132 1.00 2.88 H new ATOM 144 N GLU A 17 17.408 2.228 4.261 1.00 0.42 N ATOM 145 CA GLU A 17 16.779 3.170 3.343 1.00 0.38 C ATOM 146 C GLU A 17 15.279 3.254 3.606 1.00 0.35 C ATOM 147 O GLU A 17 14.695 4.333 3.547 1.00 0.34 O ATOM 148 CB GLU A 17 17.049 2.774 1.885 1.00 0.35 C ATOM 149 CG GLU A 17 18.457 3.086 1.405 1.00 0.39 C ATOM 150 CD GLU A 17 18.889 4.509 1.722 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.176 5.454 1.321 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.925 4.695 2.400 1.00 0.54 O ATOM 0 H GLU A 17 17.867 1.441 3.803 1.00 0.42 H new ATOM 0 HA GLU A 17 17.215 4.154 3.514 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.867 1.705 1.771 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.335 3.290 1.242 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.156 2.388 1.867 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.512 2.926 0.328 1.00 0.39 H new ATOM 159 N LYS A 18 14.657 2.120 3.921 1.00 0.34 N ATOM 160 CA LYS A 18 13.238 2.116 4.259 1.00 0.34 C ATOM 161 C LYS A 18 12.996 2.934 5.523 1.00 0.40 C ATOM 162 O LYS A 18 12.019 3.667 5.615 1.00 0.41 O ATOM 163 CB LYS A 18 12.699 0.694 4.455 1.00 0.34 C ATOM 164 CG LYS A 18 11.188 0.664 4.667 1.00 0.33 C ATOM 165 CD LYS A 18 10.663 -0.708 5.072 1.00 0.36 C ATOM 166 CE LYS A 18 11.289 -1.217 6.363 1.00 0.50 C ATOM 167 NZ LYS A 18 10.897 -0.402 7.545 1.00 0.80 N ATOM 0 H LYS A 18 15.106 1.205 3.949 1.00 0.34 H new ATOM 0 HA LYS A 18 12.704 2.564 3.421 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.952 0.090 3.584 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.192 0.238 5.313 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.922 1.389 5.436 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.693 0.978 3.748 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.581 -0.658 5.193 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.862 -1.420 4.271 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.990 -2.253 6.524 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.375 -1.210 6.264 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.335 -0.799 8.401 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 11.220 0.578 7.413 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.862 -0.415 7.648 1.00 0.80 H new ATOM 181 N GLU A 19 13.898 2.810 6.490 1.00 0.46 N ATOM 182 CA GLU A 19 13.792 3.558 7.735 1.00 0.52 C ATOM 183 C GLU A 19 14.054 5.033 7.502 1.00 0.50 C ATOM 184 O GLU A 19 13.388 5.877 8.083 1.00 0.53 O ATOM 185 CB GLU A 19 14.761 3.013 8.778 1.00 0.58 C ATOM 186 CG GLU A 19 14.505 1.558 9.125 1.00 0.63 C ATOM 187 CD GLU A 19 15.408 1.048 10.226 1.00 1.32 C ATOM 188 OE1 GLU A 19 16.603 1.413 10.232 1.00 2.32 O ATOM 189 OE2 GLU A 19 14.930 0.280 11.087 1.00 1.29 O ATOM 0 H GLU A 19 14.712 2.197 6.435 1.00 0.46 H new ATOM 0 HA GLU A 19 12.775 3.441 8.109 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.781 3.118 8.408 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.687 3.615 9.684 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.465 1.440 9.431 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.646 0.947 8.234 1.00 0.63 H new ATOM 196 N LEU A 20 15.018 5.336 6.649 1.00 0.47 N ATOM 197 CA LEU A 20 15.323 6.716 6.297 1.00 0.46 C ATOM 198 C LEU A 20 14.163 7.343 5.530 1.00 0.43 C ATOM 199 O LEU A 20 13.844 8.521 5.716 1.00 0.45 O ATOM 200 CB LEU A 20 16.609 6.774 5.467 1.00 0.45 C ATOM 201 CG LEU A 20 17.875 7.182 6.226 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.742 8.601 6.748 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.156 6.218 7.368 1.00 0.60 C ATOM 0 H LEU A 20 15.606 4.643 6.185 1.00 0.47 H new ATOM 0 HA LEU A 20 15.472 7.286 7.214 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.776 5.793 5.021 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.458 7.476 4.647 1.00 0.45 H new ATOM 0 HG LEU A 20 18.717 7.142 5.535 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.649 8.878 7.285 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.593 9.284 5.912 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.888 8.662 7.422 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.060 6.528 7.892 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.315 6.221 8.062 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.295 5.213 6.970 1.00 0.60 H new ATOM 215 N GLY A 21 13.544 6.550 4.662 1.00 0.39 N ATOM 216 CA GLY A 21 12.348 6.985 3.968 1.00 0.37 C ATOM 217 C GLY A 21 11.191 7.158 4.922 1.00 0.40 C ATOM 218 O GLY A 21 10.533 8.188 4.920 1.00 0.41 O ATOM 0 H GLY A 21 13.853 5.607 4.426 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.544 7.927 3.457 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.084 6.256 3.202 1.00 0.37 H new ATOM 222 N ASN A 22 10.976 6.161 5.766 1.00 0.43 N ATOM 223 CA ASN A 22 9.862 6.176 6.706 1.00 0.47 C ATOM 224 C ASN A 22 10.051 7.279 7.744 1.00 0.53 C ATOM 225 O ASN A 22 9.090 7.883 8.209 1.00 0.56 O ATOM 226 CB ASN A 22 9.735 4.814 7.396 1.00 0.52 C ATOM 227 CG ASN A 22 8.458 4.669 8.202 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.443 4.014 9.242 1.00 1.27 O ATOM 229 ND2 ASN A 22 7.371 5.243 7.714 1.00 1.23 N ATOM 0 H ASN A 22 11.560 5.327 5.821 1.00 0.43 H new ATOM 0 HA ASN A 22 8.945 6.377 6.153 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.773 4.027 6.642 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.591 4.666 8.054 1.00 0.52 H new ATOM 0 HD21 ASN A 22 6.481 5.150 8.204 1.00 1.23 H new ATOM 0 HD22 ASN A 22 7.422 5.779 6.848 1.00 1.23 H new ATOM 236 N ASP A 23 11.304 7.535 8.085 1.00 0.54 N ATOM 237 CA ASP A 23 11.667 8.611 9.000 1.00 0.59 C ATOM 238 C ASP A 23 11.232 9.952 8.435 1.00 0.58 C ATOM 239 O ASP A 23 10.578 10.749 9.108 1.00 0.62 O ATOM 240 CB ASP A 23 13.180 8.608 9.205 1.00 0.61 C ATOM 241 CG ASP A 23 13.656 9.707 10.133 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.403 9.608 11.352 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.276 10.676 9.651 1.00 0.79 O ATOM 0 H ASP A 23 12.101 7.003 7.736 1.00 0.54 H new ATOM 0 HA ASP A 23 11.164 8.453 9.954 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.484 7.642 9.609 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.672 8.718 8.239 1.00 0.61 H new ATOM 248 N ALA A 24 11.590 10.180 7.182 1.00 0.53 N ATOM 249 CA ALA A 24 11.215 11.396 6.481 1.00 0.53 C ATOM 250 C ALA A 24 9.709 11.420 6.252 1.00 0.53 C ATOM 251 O ALA A 24 9.075 12.472 6.289 1.00 0.58 O ATOM 252 CB ALA A 24 11.969 11.481 5.164 1.00 0.49 C ATOM 0 H ALA A 24 12.146 9.531 6.625 1.00 0.53 H new ATOM 0 HA ALA A 24 11.480 12.263 7.086 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.685 12.394 4.641 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.041 11.492 5.359 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.722 10.617 4.547 1.00 0.49 H new ATOM 258 N TYR A 25 9.156 10.236 6.036 1.00 0.48 N ATOM 259 CA TYR A 25 7.725 10.043 5.857 1.00 0.49 C ATOM 260 C TYR A 25 6.959 10.499 7.091 1.00 0.59 C ATOM 261 O TYR A 25 5.928 11.162 6.990 1.00 0.63 O ATOM 262 CB TYR A 25 7.464 8.561 5.594 1.00 0.46 C ATOM 263 CG TYR A 25 6.022 8.197 5.354 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.429 8.452 4.129 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.264 7.576 6.340 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.118 8.103 3.885 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.949 7.221 6.103 1.00 0.68 C ATOM 268 CZ TYR A 25 3.380 7.486 4.873 1.00 0.54 C ATOM 269 OH TYR A 25 2.071 7.137 4.629 1.00 0.63 O ATOM 0 H TYR A 25 9.695 9.372 5.979 1.00 0.48 H new ATOM 0 HA TYR A 25 7.382 10.640 5.012 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.049 8.254 4.727 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.830 7.987 6.445 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.004 8.933 3.351 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.708 7.368 7.303 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.671 8.312 2.924 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.369 6.739 6.876 1.00 0.68 H new ATOM 0 HH TYR A 25 1.692 6.711 5.426 1.00 0.63 H new ATOM 279 N LYS A 26 7.480 10.140 8.255 1.00 0.65 N ATOM 280 CA LYS A 26 6.879 10.519 9.525 1.00 0.77 C ATOM 281 C LYS A 26 6.944 12.030 9.733 1.00 0.81 C ATOM 282 O LYS A 26 6.151 12.599 10.484 1.00 0.94 O ATOM 283 CB LYS A 26 7.582 9.785 10.668 1.00 0.82 C ATOM 284 CG LYS A 26 7.326 8.290 10.653 1.00 0.86 C ATOM 285 CD LYS A 26 8.190 7.560 11.663 1.00 1.03 C ATOM 286 CE LYS A 26 8.103 6.056 11.472 1.00 0.90 C ATOM 287 NZ LYS A 26 6.766 5.518 11.834 1.00 1.62 N ATOM 0 H LYS A 26 8.328 9.580 8.346 1.00 0.65 H new ATOM 0 HA LYS A 26 5.827 10.232 9.513 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.655 9.966 10.604 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.246 10.197 11.619 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.275 8.099 10.869 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.523 7.898 9.655 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.226 7.883 11.561 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.873 7.820 12.673 1.00 1.03 H new ATOM 0 HE2 LYS A 26 8.322 5.811 10.433 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.865 5.570 12.081 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 6.755 4.488 11.687 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.566 5.728 12.833 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 6.040 5.961 11.235 1.00 1.62 H new ATOM 301 N LYS A 27 7.882 12.674 9.054 1.00 0.75 N ATOM 302 CA LYS A 27 8.028 14.123 9.125 1.00 0.80 C ATOM 303 C LYS A 27 7.350 14.789 7.927 1.00 0.79 C ATOM 304 O LYS A 27 7.470 15.998 7.722 1.00 0.84 O ATOM 305 CB LYS A 27 9.513 14.496 9.175 1.00 0.80 C ATOM 306 CG LYS A 27 10.214 14.000 10.428 1.00 1.16 C ATOM 307 CD LYS A 27 11.705 14.311 10.413 1.00 1.58 C ATOM 308 CE LYS A 27 12.426 13.558 9.305 1.00 1.93 C ATOM 309 NZ LYS A 27 13.899 13.749 9.369 1.00 2.31 N ATOM 0 H LYS A 27 8.558 12.214 8.444 1.00 0.75 H new ATOM 0 HA LYS A 27 7.544 14.481 10.034 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.014 14.084 8.299 1.00 0.80 H new ATOM 0 HB3 LYS A 27 9.611 15.580 9.117 1.00 0.80 H new ATOM 0 HG2 LYS A 27 9.757 14.460 11.304 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.070 12.924 10.521 1.00 1.16 H new ATOM 0 HD2 LYS A 27 11.852 15.383 10.280 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.142 14.047 11.376 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.195 12.495 9.379 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.058 13.898 8.337 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.229 14.201 8.493 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.136 14.354 10.181 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.364 12.825 9.478 1.00 2.31 H new ATOM 323 N LYS A 28 6.632 13.976 7.152 1.00 0.77 N ATOM 324 CA LYS A 28 5.915 14.425 5.957 1.00 0.80 C ATOM 325 C LYS A 28 6.838 15.065 4.926 1.00 0.71 C ATOM 326 O LYS A 28 6.416 15.924 4.148 1.00 0.75 O ATOM 327 CB LYS A 28 4.794 15.384 6.325 1.00 0.96 C ATOM 328 CG LYS A 28 3.772 14.783 7.273 1.00 1.07 C ATOM 329 CD LYS A 28 2.725 15.803 7.681 1.00 1.24 C ATOM 330 CE LYS A 28 1.928 16.298 6.483 1.00 1.77 C ATOM 331 NZ LYS A 28 0.964 17.363 6.857 1.00 2.39 N ATOM 0 H LYS A 28 6.530 12.978 7.337 1.00 0.77 H new ATOM 0 HA LYS A 28 5.486 13.534 5.499 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.224 16.275 6.783 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.288 15.706 5.415 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.286 13.933 6.794 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.277 14.403 8.161 1.00 1.07 H new ATOM 0 HD2 LYS A 28 2.048 15.358 8.410 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.210 16.648 8.170 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.612 16.679 5.725 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.389 15.463 6.036 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.442 17.671 6.012 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 0.294 16.993 7.562 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.479 18.172 7.260 1.00 2.39 H new ATOM 345 N ASP A 29 8.090 14.644 4.914 1.00 0.64 N ATOM 346 CA ASP A 29 9.011 15.040 3.864 1.00 0.59 C ATOM 347 C ASP A 29 8.861 14.035 2.732 1.00 0.50 C ATOM 348 O ASP A 29 9.755 13.234 2.468 1.00 0.47 O ATOM 349 CB ASP A 29 10.449 15.064 4.386 1.00 0.60 C ATOM 350 CG ASP A 29 11.359 15.976 3.582 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.250 15.976 2.335 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.176 16.707 4.182 1.00 1.39 O ATOM 0 H ASP A 29 8.492 14.028 5.620 1.00 0.64 H new ATOM 0 HA ASP A 29 8.784 16.047 3.513 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.446 15.389 5.426 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.852 14.052 4.369 1.00 0.60 H new ATOM 357 N PHE A 30 7.695 14.080 2.089 1.00 0.49 N ATOM 358 CA PHE A 30 7.229 13.001 1.225 1.00 0.44 C ATOM 359 C PHE A 30 8.191 12.681 0.084 1.00 0.42 C ATOM 360 O PHE A 30 8.390 11.511 -0.237 1.00 0.43 O ATOM 361 CB PHE A 30 5.825 13.308 0.689 1.00 0.45 C ATOM 362 CG PHE A 30 4.796 13.465 1.777 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.677 12.513 2.774 1.00 0.52 C ATOM 364 CD2 PHE A 30 3.942 14.562 1.797 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.731 12.649 3.773 1.00 0.58 C ATOM 366 CE2 PHE A 30 2.997 14.701 2.793 1.00 0.71 C ATOM 367 CZ PHE A 30 2.901 13.765 3.788 1.00 0.66 C ATOM 0 H PHE A 30 7.048 14.866 2.154 1.00 0.49 H new ATOM 0 HA PHE A 30 7.187 12.105 1.844 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.861 14.223 0.097 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.516 12.506 0.018 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.331 11.653 2.772 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.019 15.313 1.025 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.637 11.892 4.538 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.331 15.551 2.788 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.182 13.893 4.583 1.00 0.66 H new ATOM 377 N ASP A 31 8.805 13.690 -0.518 1.00 0.46 N ATOM 378 CA ASP A 31 9.745 13.437 -1.607 1.00 0.48 C ATOM 379 C ASP A 31 10.968 12.705 -1.086 1.00 0.44 C ATOM 380 O ASP A 31 11.389 11.702 -1.652 1.00 0.42 O ATOM 381 CB ASP A 31 10.176 14.727 -2.296 1.00 0.57 C ATOM 382 CG ASP A 31 9.693 14.802 -3.729 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.556 15.271 -3.957 1.00 1.61 O ATOM 384 OD2 ASP A 31 10.445 14.394 -4.636 1.00 1.93 O ATOM 0 H ASP A 31 8.675 14.673 -0.279 1.00 0.46 H new ATOM 0 HA ASP A 31 9.231 12.817 -2.342 1.00 0.48 H new ATOM 0 HB2 ASP A 31 9.789 15.580 -1.739 1.00 0.57 H new ATOM 0 HB3 ASP A 31 11.263 14.801 -2.277 1.00 0.57 H new ATOM 389 N THR A 32 11.517 13.207 0.010 1.00 0.45 N ATOM 390 CA THR A 32 12.673 12.594 0.649 1.00 0.45 C ATOM 391 C THR A 32 12.335 11.184 1.135 1.00 0.39 C ATOM 392 O THR A 32 13.143 10.258 1.018 1.00 0.38 O ATOM 393 CB THR A 32 13.127 13.454 1.842 1.00 0.50 C ATOM 394 OG1 THR A 32 13.398 14.792 1.403 1.00 0.57 O ATOM 395 CG2 THR A 32 14.359 12.877 2.515 1.00 0.52 C ATOM 0 H THR A 32 11.177 14.046 0.480 1.00 0.45 H new ATOM 0 HA THR A 32 13.478 12.529 -0.083 1.00 0.45 H new ATOM 0 HB THR A 32 12.318 13.461 2.573 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.575 15.323 1.445 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.648 13.513 3.352 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.138 11.874 2.880 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.177 12.829 1.797 1.00 0.52 H new ATOM 403 N ALA A 33 11.134 11.030 1.676 1.00 0.38 N ATOM 404 CA ALA A 33 10.646 9.732 2.113 1.00 0.36 C ATOM 405 C ALA A 33 10.592 8.769 0.944 1.00 0.30 C ATOM 406 O ALA A 33 11.196 7.697 0.977 1.00 0.28 O ATOM 407 CB ALA A 33 9.267 9.874 2.733 1.00 0.39 C ATOM 0 H ALA A 33 10.476 11.796 1.823 1.00 0.38 H new ATOM 0 HA ALA A 33 11.332 9.336 2.862 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.911 8.896 3.057 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.321 10.543 3.592 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.577 10.285 1.996 1.00 0.39 H new ATOM 413 N LEU A 34 9.891 9.187 -0.102 1.00 0.29 N ATOM 414 CA LEU A 34 9.719 8.386 -1.303 1.00 0.26 C ATOM 415 C LEU A 34 11.069 8.099 -1.947 1.00 0.26 C ATOM 416 O LEU A 34 11.246 7.096 -2.626 1.00 0.26 O ATOM 417 CB LEU A 34 8.809 9.128 -2.279 1.00 0.28 C ATOM 418 CG LEU A 34 8.008 8.251 -3.239 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.654 8.179 -4.611 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.846 6.861 -2.676 1.00 0.53 C ATOM 0 H LEU A 34 9.425 10.094 -0.140 1.00 0.29 H new ATOM 0 HA LEU A 34 9.260 7.433 -1.038 1.00 0.26 H new ATOM 0 HB2 LEU A 34 8.111 9.736 -1.704 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.420 9.813 -2.867 1.00 0.28 H new ATOM 0 HG LEU A 34 7.026 8.711 -3.353 1.00 0.33 H new ATOM 0 HD11 LEU A 34 8.053 7.546 -5.263 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.718 9.181 -5.036 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.656 7.759 -4.520 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.273 6.250 -3.374 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.828 6.413 -2.524 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.320 6.914 -1.723 1.00 0.53 H new ATOM 432 N LYS A 35 12.015 8.989 -1.704 1.00 0.31 N ATOM 433 CA LYS A 35 13.351 8.880 -2.260 1.00 0.33 C ATOM 434 C LYS A 35 14.103 7.703 -1.644 1.00 0.29 C ATOM 435 O LYS A 35 14.656 6.872 -2.357 1.00 0.30 O ATOM 436 CB LYS A 35 14.107 10.181 -1.992 1.00 0.40 C ATOM 437 CG LYS A 35 14.967 10.668 -3.143 1.00 0.49 C ATOM 438 CD LYS A 35 14.128 11.124 -4.333 1.00 0.53 C ATOM 439 CE LYS A 35 13.243 12.316 -3.982 1.00 0.60 C ATOM 440 NZ LYS A 35 12.485 12.810 -5.159 1.00 1.41 N ATOM 0 H LYS A 35 11.877 9.810 -1.114 1.00 0.31 H new ATOM 0 HA LYS A 35 13.277 8.707 -3.334 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.385 10.959 -1.742 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.742 10.042 -1.117 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.593 11.493 -2.804 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.637 9.868 -3.458 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.786 11.391 -5.160 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.505 10.298 -4.676 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.545 12.030 -3.195 1.00 0.60 H new ATOM 0 HE3 LYS A 35 13.860 13.121 -3.584 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 11.871 13.598 -4.871 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 13.150 13.138 -5.888 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 11.902 12.040 -5.544 1.00 1.41 H new ATOM 454 N HIS A 36 14.120 7.625 -0.315 1.00 0.29 N ATOM 455 CA HIS A 36 14.801 6.520 0.359 1.00 0.29 C ATOM 456 C HIS A 36 13.991 5.248 0.216 1.00 0.25 C ATOM 457 O HIS A 36 14.543 4.156 0.191 1.00 0.27 O ATOM 458 CB HIS A 36 15.033 6.791 1.840 1.00 0.38 C ATOM 459 CG HIS A 36 15.912 7.958 2.128 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.283 7.906 2.052 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.600 9.210 2.513 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.782 9.082 2.377 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.781 9.899 2.661 1.00 0.46 N ATOM 0 H HIS A 36 13.678 8.301 0.308 1.00 0.29 H new ATOM 0 HA HIS A 36 15.774 6.412 -0.120 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.068 6.952 2.322 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.471 5.902 2.294 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.829 7.086 1.786 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.606 9.601 2.675 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.831 9.336 2.406 1.00 0.47 H new ATOM 472 N TYR A 37 12.678 5.397 0.147 1.00 0.22 N ATOM 473 CA TYR A 37 11.808 4.273 -0.146 1.00 0.21 C ATOM 474 C TYR A 37 12.152 3.705 -1.518 1.00 0.21 C ATOM 475 O TYR A 37 12.217 2.488 -1.710 1.00 0.24 O ATOM 476 CB TYR A 37 10.349 4.709 -0.132 1.00 0.22 C ATOM 477 CG TYR A 37 9.733 4.902 1.239 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.107 3.928 2.159 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.835 5.879 1.649 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.603 3.932 3.445 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.324 5.886 2.932 1.00 0.41 C ATOM 482 CZ TYR A 37 8.712 4.912 3.825 1.00 0.36 C ATOM 483 OH TYR A 37 8.198 4.914 5.100 1.00 0.48 O ATOM 0 H TYR A 37 12.194 6.283 0.290 1.00 0.22 H new ATOM 0 HA TYR A 37 11.955 3.510 0.618 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.264 5.645 -0.683 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.762 3.966 -0.672 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.802 3.156 1.863 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.531 6.646 0.953 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.906 3.171 4.149 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.624 6.651 3.233 1.00 0.41 H new ATOM 0 HH TYR A 37 7.222 4.836 5.059 1.00 0.48 H new ATOM 493 N ASP A 38 12.374 4.606 -2.466 1.00 0.25 N ATOM 494 CA ASP A 38 12.775 4.231 -3.813 1.00 0.31 C ATOM 495 C ASP A 38 14.152 3.596 -3.788 1.00 0.30 C ATOM 496 O ASP A 38 14.398 2.591 -4.453 1.00 0.32 O ATOM 497 CB ASP A 38 12.806 5.449 -4.728 1.00 0.42 C ATOM 498 CG ASP A 38 12.924 5.061 -6.188 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.900 4.696 -6.800 1.00 0.68 O ATOM 500 OD2 ASP A 38 14.046 5.118 -6.730 1.00 1.51 O ATOM 0 H ASP A 38 12.281 5.612 -2.323 1.00 0.25 H new ATOM 0 HA ASP A 38 12.045 3.517 -4.195 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.899 6.036 -4.581 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.646 6.087 -4.454 1.00 0.42 H new ATOM 505 N LYS A 39 15.043 4.200 -3.014 1.00 0.30 N ATOM 506 CA LYS A 39 16.388 3.683 -2.832 1.00 0.32 C ATOM 507 C LYS A 39 16.336 2.287 -2.221 1.00 0.29 C ATOM 508 O LYS A 39 17.059 1.395 -2.639 1.00 0.32 O ATOM 509 CB LYS A 39 17.200 4.629 -1.943 1.00 0.35 C ATOM 510 CG LYS A 39 18.681 4.299 -1.897 1.00 0.41 C ATOM 511 CD LYS A 39 19.323 4.431 -3.267 1.00 0.47 C ATOM 512 CE LYS A 39 20.771 3.979 -3.241 1.00 0.54 C ATOM 513 NZ LYS A 39 21.615 4.839 -2.373 1.00 1.25 N ATOM 0 H LYS A 39 14.853 5.059 -2.497 1.00 0.30 H new ATOM 0 HA LYS A 39 16.876 3.617 -3.804 1.00 0.32 H new ATOM 0 HB2 LYS A 39 17.075 5.650 -2.304 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.798 4.597 -0.930 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.182 4.965 -1.194 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.817 3.283 -1.526 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.767 3.836 -3.991 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.269 5.468 -3.598 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.821 2.949 -2.887 1.00 0.54 H new ATOM 0 HE3 LYS A 39 21.170 3.988 -4.255 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.613 4.566 -2.479 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.497 5.834 -2.650 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.327 4.720 -1.381 1.00 1.25 H new ATOM 527 N ALA A 40 15.456 2.097 -1.250 1.00 0.25 N ATOM 528 CA ALA A 40 15.279 0.795 -0.623 1.00 0.24 C ATOM 529 C ALA A 40 14.781 -0.226 -1.639 1.00 0.22 C ATOM 530 O ALA A 40 15.178 -1.383 -1.601 1.00 0.26 O ATOM 531 CB ALA A 40 14.322 0.894 0.560 1.00 0.22 C ATOM 0 H ALA A 40 14.852 2.830 -0.878 1.00 0.25 H new ATOM 0 HA ALA A 40 16.246 0.459 -0.250 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.203 -0.089 1.015 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.725 1.588 1.297 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.353 1.254 0.215 1.00 0.22 H new ATOM 537 N LYS A 41 13.924 0.213 -2.554 1.00 0.23 N ATOM 538 CA LYS A 41 13.455 -0.651 -3.634 1.00 0.26 C ATOM 539 C LYS A 41 14.579 -0.905 -4.632 1.00 0.31 C ATOM 540 O LYS A 41 14.651 -1.956 -5.256 1.00 0.37 O ATOM 541 CB LYS A 41 12.266 -0.018 -4.355 1.00 0.29 C ATOM 542 CG LYS A 41 11.678 -0.899 -5.445 1.00 0.41 C ATOM 543 CD LYS A 41 10.506 -0.220 -6.130 1.00 0.78 C ATOM 544 CE LYS A 41 9.946 -1.071 -7.255 1.00 0.89 C ATOM 545 NZ LYS A 41 10.902 -1.210 -8.384 1.00 1.37 N ATOM 0 H LYS A 41 13.540 1.158 -2.571 1.00 0.23 H new ATOM 0 HA LYS A 41 13.139 -1.598 -3.197 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.489 0.211 -3.626 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.580 0.929 -4.794 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.447 -1.132 -6.181 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.352 -1.846 -5.014 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.722 -0.021 -5.399 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.824 0.744 -6.526 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.695 -2.059 -6.870 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.020 -0.626 -7.618 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.421 -1.651 -9.194 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.253 -0.271 -8.659 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.702 -1.806 -8.090 1.00 1.37 H new ATOM 559 N GLU A 42 15.445 0.079 -4.781 1.00 0.32 N ATOM 560 CA GLU A 42 16.608 -0.047 -5.641 1.00 0.38 C ATOM 561 C GLU A 42 17.577 -1.062 -5.042 1.00 0.40 C ATOM 562 O GLU A 42 18.208 -1.844 -5.756 1.00 0.50 O ATOM 563 CB GLU A 42 17.285 1.317 -5.788 1.00 0.43 C ATOM 564 CG GLU A 42 18.357 1.364 -6.859 1.00 1.11 C ATOM 565 CD GLU A 42 19.073 2.697 -6.895 1.00 1.81 C ATOM 566 OE1 GLU A 42 18.388 3.737 -6.980 1.00 2.78 O ATOM 567 OE2 GLU A 42 20.319 2.713 -6.833 1.00 2.03 O ATOM 0 H GLU A 42 15.364 0.982 -4.314 1.00 0.32 H new ATOM 0 HA GLU A 42 16.301 -0.395 -6.627 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.526 2.065 -6.016 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.729 1.595 -4.832 1.00 0.43 H new ATOM 0 HG2 GLU A 42 19.081 0.569 -6.680 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.905 1.170 -7.832 1.00 1.11 H new ATOM 574 N LEU A 43 17.670 -1.042 -3.718 1.00 0.36 N ATOM 575 CA LEU A 43 18.529 -1.956 -2.978 1.00 0.39 C ATOM 576 C LEU A 43 17.903 -3.342 -2.893 1.00 0.39 C ATOM 577 O LEU A 43 18.597 -4.359 -2.992 1.00 0.49 O ATOM 578 CB LEU A 43 18.805 -1.409 -1.578 1.00 0.39 C ATOM 579 CG LEU A 43 20.002 -0.469 -1.479 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.865 0.651 -2.468 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.115 0.095 -0.086 1.00 0.45 C ATOM 0 H LEU A 43 17.152 -0.391 -3.128 1.00 0.36 H new ATOM 0 HA LEU A 43 19.475 -2.043 -3.513 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.918 -0.881 -1.229 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.964 -2.248 -0.901 1.00 0.39 H new ATOM 0 HG LEU A 43 20.904 -1.037 -1.705 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.726 1.315 -2.387 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.816 0.241 -3.477 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.954 1.211 -2.259 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.974 0.764 -0.033 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.208 0.649 0.157 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.244 -0.719 0.627 1.00 0.45 H new ATOM 593 N ASP A 44 16.592 -3.387 -2.701 1.00 0.32 N ATOM 594 CA ASP A 44 15.885 -4.652 -2.712 1.00 0.33 C ATOM 595 C ASP A 44 14.518 -4.516 -3.368 1.00 0.32 C ATOM 596 O ASP A 44 13.530 -4.193 -2.709 1.00 0.33 O ATOM 597 CB ASP A 44 15.714 -5.224 -1.314 1.00 0.40 C ATOM 598 CG ASP A 44 15.523 -6.725 -1.350 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.408 -7.172 -1.684 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.470 -7.468 -1.023 1.00 1.11 O ATOM 0 H ASP A 44 16.005 -2.569 -2.538 1.00 0.32 H new ATOM 0 HA ASP A 44 16.498 -5.340 -3.294 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.589 -4.982 -0.711 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.855 -4.758 -0.831 1.00 0.40 H new ATOM 605 N PRO A 45 14.445 -4.768 -4.678 1.00 0.41 N ATOM 606 CA PRO A 45 13.197 -4.680 -5.439 1.00 0.49 C ATOM 607 C PRO A 45 12.257 -5.850 -5.165 1.00 0.47 C ATOM 608 O PRO A 45 11.089 -5.822 -5.552 1.00 0.59 O ATOM 609 CB PRO A 45 13.680 -4.720 -6.888 1.00 0.64 C ATOM 610 CG PRO A 45 14.920 -5.534 -6.821 1.00 0.63 C ATOM 611 CD PRO A 45 15.583 -5.135 -5.538 1.00 0.52 C ATOM 0 HA PRO A 45 12.622 -3.791 -5.180 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.938 -5.173 -7.545 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.878 -3.719 -7.272 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.692 -6.600 -6.832 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.567 -5.338 -7.676 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.163 -5.953 -5.112 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.268 -4.299 -5.680 1.00 0.52 H new ATOM 619 N THR A 46 12.773 -6.884 -4.514 1.00 0.39 N ATOM 620 CA THR A 46 11.981 -8.070 -4.227 1.00 0.40 C ATOM 621 C THR A 46 11.271 -7.944 -2.884 1.00 0.40 C ATOM 622 O THR A 46 10.326 -8.677 -2.592 1.00 0.42 O ATOM 623 CB THR A 46 12.846 -9.341 -4.254 1.00 0.42 C ATOM 624 OG1 THR A 46 14.009 -9.185 -3.426 1.00 0.45 O ATOM 625 CG2 THR A 46 13.282 -9.660 -5.674 1.00 0.46 C ATOM 0 H THR A 46 13.734 -6.925 -4.176 1.00 0.39 H new ATOM 0 HA THR A 46 11.227 -8.154 -5.010 1.00 0.40 H new ATOM 0 HB THR A 46 12.241 -10.162 -3.869 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.910 -8.384 -2.870 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.893 -10.563 -5.673 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.402 -9.818 -6.298 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.864 -8.828 -6.071 1.00 0.46 H new ATOM 633 N ASN A 47 11.734 -7.006 -2.072 1.00 0.52 N ATOM 634 CA ASN A 47 11.087 -6.710 -0.810 1.00 0.56 C ATOM 635 C ASN A 47 9.888 -5.820 -1.063 1.00 0.56 C ATOM 636 O ASN A 47 10.010 -4.596 -1.144 1.00 0.89 O ATOM 637 CB ASN A 47 12.058 -6.032 0.150 1.00 0.78 C ATOM 638 CG ASN A 47 11.502 -5.911 1.552 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.672 -6.804 2.376 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.840 -4.800 1.838 1.00 1.47 N ATOM 0 H ASN A 47 12.558 -6.437 -2.268 1.00 0.52 H new ATOM 0 HA ASN A 47 10.758 -7.642 -0.350 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.989 -6.599 0.180 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.302 -5.039 -0.227 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.451 -4.664 2.771 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.720 -4.080 1.125 1.00 1.47 H new ATOM 647 N MET A 48 8.730 -6.452 -1.188 1.00 0.29 N ATOM 648 CA MET A 48 7.501 -5.767 -1.565 1.00 0.26 C ATOM 649 C MET A 48 7.194 -4.590 -0.642 1.00 0.24 C ATOM 650 O MET A 48 6.559 -3.620 -1.053 1.00 0.24 O ATOM 651 CB MET A 48 6.329 -6.741 -1.554 1.00 0.22 C ATOM 652 CG MET A 48 5.876 -7.151 -0.163 1.00 0.19 C ATOM 653 SD MET A 48 4.340 -8.082 -0.190 1.00 1.05 S ATOM 654 CE MET A 48 3.246 -6.880 -0.943 1.00 0.27 C ATOM 0 H MET A 48 8.615 -7.453 -1.031 1.00 0.29 H new ATOM 0 HA MET A 48 7.647 -5.375 -2.572 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.488 -6.287 -2.079 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.608 -7.635 -2.112 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.654 -7.752 0.307 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.747 -6.260 0.452 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.400 -6.693 -0.281 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.788 -5.950 -1.111 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.883 -7.265 -1.896 1.00 0.27 H new ATOM 664 N THR A 49 7.661 -4.674 0.597 1.00 0.24 N ATOM 665 CA THR A 49 7.400 -3.645 1.586 1.00 0.26 C ATOM 666 C THR A 49 7.993 -2.301 1.169 1.00 0.28 C ATOM 667 O THR A 49 7.485 -1.248 1.550 1.00 0.39 O ATOM 668 CB THR A 49 7.964 -4.050 2.956 1.00 0.29 C ATOM 669 OG1 THR A 49 7.597 -5.404 3.245 1.00 0.71 O ATOM 670 CG2 THR A 49 7.444 -3.131 4.049 1.00 0.64 C ATOM 0 H THR A 49 8.226 -5.451 0.939 1.00 0.24 H new ATOM 0 HA THR A 49 6.318 -3.538 1.659 1.00 0.26 H new ATOM 0 HB THR A 49 9.050 -3.963 2.923 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.959 -5.662 4.119 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.857 -3.438 5.010 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.745 -2.105 3.836 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.356 -3.190 4.087 1.00 0.64 H new ATOM 678 N TYR A 50 9.048 -2.328 0.358 1.00 0.23 N ATOM 679 CA TYR A 50 9.675 -1.088 -0.073 1.00 0.23 C ATOM 680 C TYR A 50 8.894 -0.484 -1.229 1.00 0.26 C ATOM 681 O TYR A 50 9.055 0.678 -1.581 1.00 0.42 O ATOM 682 CB TYR A 50 11.126 -1.286 -0.503 1.00 0.21 C ATOM 683 CG TYR A 50 12.017 -1.919 0.539 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.813 -1.652 1.884 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.055 -2.781 0.191 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.611 -2.216 2.853 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.854 -3.351 1.162 1.00 0.31 C ATOM 688 CZ TYR A 50 13.685 -3.102 2.418 1.00 0.34 C ATOM 689 OH TYR A 50 14.431 -3.627 3.454 1.00 0.44 O ATOM 0 H TYR A 50 9.478 -3.178 -0.006 1.00 0.23 H new ATOM 0 HA TYR A 50 9.668 -0.416 0.785 1.00 0.23 H new ATOM 0 HB2 TYR A 50 11.143 -1.906 -1.399 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.544 -0.317 -0.777 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.013 -0.989 2.177 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.236 -3.006 -0.850 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.448 -2.010 3.900 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.643 -4.025 0.863 1.00 0.31 H new ATOM 0 HH TYR A 50 15.130 -4.210 3.091 1.00 0.44 H new ATOM 699 N ILE A 51 8.063 -1.291 -1.841 1.00 0.18 N ATOM 700 CA ILE A 51 7.221 -0.808 -2.906 1.00 0.19 C ATOM 701 C ILE A 51 5.930 -0.251 -2.324 1.00 0.19 C ATOM 702 O ILE A 51 5.398 0.759 -2.791 1.00 0.22 O ATOM 703 CB ILE A 51 6.912 -1.925 -3.914 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.219 -2.528 -4.441 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.063 -1.381 -5.055 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.032 -3.827 -5.193 1.00 0.33 C ATOM 0 H ILE A 51 7.952 -2.281 -1.621 1.00 0.18 H new ATOM 0 HA ILE A 51 7.750 -0.016 -3.435 1.00 0.19 H new ATOM 0 HB ILE A 51 6.346 -2.713 -3.416 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.703 -1.805 -5.098 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.894 -2.698 -3.602 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.850 -2.181 -5.764 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.127 -0.990 -4.657 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.604 -0.582 -5.562 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.000 -4.192 -5.535 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.577 -4.567 -4.534 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.383 -3.660 -6.053 1.00 0.33 H new ATOM 718 N THR A 52 5.442 -0.906 -1.278 1.00 0.20 N ATOM 719 CA THR A 52 4.222 -0.481 -0.620 1.00 0.24 C ATOM 720 C THR A 52 4.451 0.789 0.196 1.00 0.24 C ATOM 721 O THR A 52 3.540 1.607 0.343 1.00 0.27 O ATOM 722 CB THR A 52 3.657 -1.591 0.288 1.00 0.27 C ATOM 723 OG1 THR A 52 4.645 -2.021 1.233 1.00 0.28 O ATOM 724 CG2 THR A 52 3.197 -2.779 -0.533 1.00 0.26 C ATOM 0 H THR A 52 5.876 -1.734 -0.870 1.00 0.20 H new ATOM 0 HA THR A 52 3.493 -0.269 -1.402 1.00 0.24 H new ATOM 0 HB THR A 52 2.802 -1.178 0.824 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.478 -1.527 1.083 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.802 -3.549 0.130 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.417 -2.462 -1.226 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.040 -3.181 -1.095 1.00 0.26 H new ATOM 732 N ASN A 53 5.664 0.960 0.726 1.00 0.25 N ATOM 733 CA ASN A 53 5.991 2.180 1.455 1.00 0.27 C ATOM 734 C ASN A 53 6.081 3.352 0.487 1.00 0.24 C ATOM 735 O ASN A 53 5.679 4.472 0.814 1.00 0.27 O ATOM 736 CB ASN A 53 7.279 2.040 2.300 1.00 0.34 C ATOM 737 CG ASN A 53 8.537 1.720 1.525 1.00 0.81 C ATOM 738 OD1 ASN A 53 8.727 2.147 0.405 1.00 1.59 O ATOM 739 ND2 ASN A 53 9.422 0.966 2.148 1.00 1.42 N ATOM 0 H ASN A 53 6.422 0.280 0.664 1.00 0.25 H new ATOM 0 HA ASN A 53 5.186 2.370 2.165 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.437 2.970 2.846 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.122 1.257 3.042 1.00 0.34 H new ATOM 0 HD21 ASN A 53 10.300 0.724 1.688 1.00 1.42 H new ATOM 0 HD22 ASN A 53 9.229 0.625 3.090 1.00 1.42 H new ATOM 746 N GLN A 54 6.587 3.086 -0.715 1.00 0.23 N ATOM 747 CA GLN A 54 6.574 4.078 -1.774 1.00 0.25 C ATOM 748 C GLN A 54 5.155 4.510 -2.075 1.00 0.25 C ATOM 749 O GLN A 54 4.844 5.703 -2.112 1.00 0.28 O ATOM 750 CB GLN A 54 7.210 3.533 -3.048 1.00 0.27 C ATOM 751 CG GLN A 54 8.713 3.427 -2.979 1.00 0.40 C ATOM 752 CD GLN A 54 9.326 3.138 -4.330 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.793 3.527 -5.372 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.448 2.451 -4.326 1.00 1.34 N ATOM 0 H GLN A 54 7.008 2.194 -0.974 1.00 0.23 H new ATOM 0 HA GLN A 54 7.154 4.934 -1.429 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.795 2.547 -3.258 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.938 4.178 -3.884 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.124 4.357 -2.587 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.988 2.637 -2.280 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.857 2.147 -3.442 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.909 2.222 -5.207 1.00 1.34 H new ATOM 763 N ALA A 55 4.302 3.522 -2.275 1.00 0.24 N ATOM 764 CA ALA A 55 2.908 3.753 -2.593 1.00 0.25 C ATOM 765 C ALA A 55 2.229 4.608 -1.523 1.00 0.26 C ATOM 766 O ALA A 55 1.366 5.433 -1.824 1.00 0.30 O ATOM 767 CB ALA A 55 2.202 2.417 -2.749 1.00 0.24 C ATOM 0 H ALA A 55 4.558 2.536 -2.221 1.00 0.24 H new ATOM 0 HA ALA A 55 2.846 4.304 -3.531 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.152 2.586 -2.988 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.671 1.849 -3.553 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.276 1.856 -1.818 1.00 0.24 H new ATOM 773 N ALA A 56 2.653 4.420 -0.276 1.00 0.26 N ATOM 774 CA ALA A 56 2.124 5.184 0.849 1.00 0.27 C ATOM 775 C ALA A 56 2.405 6.673 0.691 1.00 0.26 C ATOM 776 O ALA A 56 1.588 7.510 1.072 1.00 0.30 O ATOM 777 CB ALA A 56 2.713 4.682 2.158 1.00 0.29 C ATOM 0 H ALA A 56 3.367 3.739 -0.019 1.00 0.26 H new ATOM 0 HA ALA A 56 1.044 5.041 0.865 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.307 5.263 2.986 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.457 3.631 2.293 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.797 4.791 2.135 1.00 0.29 H new ATOM 783 N VAL A 57 3.564 7.008 0.134 1.00 0.26 N ATOM 784 CA VAL A 57 3.912 8.406 -0.075 1.00 0.27 C ATOM 785 C VAL A 57 3.089 9.002 -1.201 1.00 0.26 C ATOM 786 O VAL A 57 2.753 10.176 -1.173 1.00 0.30 O ATOM 787 CB VAL A 57 5.399 8.617 -0.396 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.697 10.098 -0.484 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.274 7.968 0.651 1.00 0.30 C ATOM 0 H VAL A 57 4.269 6.340 -0.177 1.00 0.26 H new ATOM 0 HA VAL A 57 3.694 8.908 0.868 1.00 0.27 H new ATOM 0 HB VAL A 57 5.618 8.149 -1.356 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.753 10.244 -0.712 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.091 10.545 -1.272 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.462 10.574 0.468 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.322 8.131 0.401 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.061 8.406 1.626 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.071 6.898 0.682 1.00 0.30 H new ATOM 799 N TYR A 58 2.781 8.195 -2.200 1.00 0.25 N ATOM 800 CA TYR A 58 1.913 8.634 -3.281 1.00 0.27 C ATOM 801 C TYR A 58 0.526 8.921 -2.739 1.00 0.28 C ATOM 802 O TYR A 58 -0.124 9.879 -3.137 1.00 0.29 O ATOM 803 CB TYR A 58 1.861 7.583 -4.374 1.00 0.27 C ATOM 804 CG TYR A 58 3.127 7.536 -5.189 1.00 0.28 C ATOM 805 CD1 TYR A 58 4.175 6.711 -4.818 1.00 0.28 C ATOM 806 CD2 TYR A 58 3.269 8.298 -6.333 1.00 0.35 C ATOM 807 CE1 TYR A 58 5.330 6.646 -5.564 1.00 0.30 C ATOM 808 CE2 TYR A 58 4.421 8.246 -7.084 1.00 0.38 C ATOM 809 CZ TYR A 58 5.465 7.480 -6.680 1.00 0.33 C ATOM 810 OH TYR A 58 6.598 7.347 -7.451 1.00 0.37 O ATOM 0 H TYR A 58 3.117 7.236 -2.287 1.00 0.25 H new ATOM 0 HA TYR A 58 2.314 9.551 -3.714 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.685 6.605 -3.925 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.017 7.789 -5.032 1.00 0.27 H new ATOM 0 HD1 TYR A 58 4.085 6.107 -3.927 1.00 0.28 H new ATOM 0 HD2 TYR A 58 2.462 8.945 -6.643 1.00 0.35 H new ATOM 0 HE1 TYR A 58 6.120 5.962 -5.292 1.00 0.30 H new ATOM 0 HE2 TYR A 58 4.494 8.817 -7.998 1.00 0.38 H new ATOM 0 HH TYR A 58 6.565 7.985 -8.194 1.00 0.37 H new ATOM 820 N PHE A 59 0.103 8.090 -1.803 1.00 0.30 N ATOM 821 CA PHE A 59 -1.142 8.299 -1.088 1.00 0.32 C ATOM 822 C PHE A 59 -1.129 9.663 -0.393 1.00 0.35 C ATOM 823 O PHE A 59 -2.062 10.453 -0.535 1.00 0.42 O ATOM 824 CB PHE A 59 -1.324 7.176 -0.074 1.00 0.33 C ATOM 825 CG PHE A 59 -2.633 7.212 0.663 1.00 0.35 C ATOM 826 CD1 PHE A 59 -2.770 7.959 1.823 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.722 6.497 0.199 1.00 0.29 C ATOM 828 CE1 PHE A 59 -3.969 7.995 2.503 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.925 6.529 0.876 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.049 7.279 2.030 1.00 0.47 C ATOM 0 H PHE A 59 0.612 7.253 -1.518 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.977 8.288 -1.788 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.237 6.220 -0.590 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.511 7.222 0.651 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -1.927 8.520 2.199 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.631 5.908 -0.702 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.062 8.583 3.404 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.769 5.968 0.504 1.00 0.35 H new ATOM 0 HZ PHE A 59 -5.989 7.305 2.560 1.00 0.47 H new ATOM 840 N GLU A 60 -0.053 9.933 0.337 1.00 0.34 N ATOM 841 CA GLU A 60 0.116 11.207 1.030 1.00 0.37 C ATOM 842 C GLU A 60 0.291 12.362 0.041 1.00 0.35 C ATOM 843 O GLU A 60 -0.143 13.484 0.295 1.00 0.41 O ATOM 844 CB GLU A 60 1.324 11.138 1.961 1.00 0.39 C ATOM 845 CG GLU A 60 1.137 10.198 3.138 1.00 0.44 C ATOM 846 CD GLU A 60 0.005 10.621 4.053 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.100 11.713 4.654 1.00 1.42 O ATOM 848 OE2 GLU A 60 -0.988 9.870 4.172 1.00 1.07 O ATOM 0 H GLU A 60 0.722 9.282 0.465 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.786 11.393 1.613 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.195 10.819 1.388 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.539 12.138 2.337 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.941 9.192 2.766 1.00 0.44 H new ATOM 0 HG3 GLU A 60 2.063 10.152 3.711 1.00 0.44 H new ATOM 855 N LYS A 61 0.939 12.074 -1.082 1.00 0.32 N ATOM 856 CA LYS A 61 1.168 13.060 -2.131 1.00 0.33 C ATOM 857 C LYS A 61 -0.145 13.524 -2.749 1.00 0.35 C ATOM 858 O LYS A 61 -0.276 14.674 -3.167 1.00 0.40 O ATOM 859 CB LYS A 61 2.034 12.463 -3.238 1.00 0.33 C ATOM 860 CG LYS A 61 3.447 13.005 -3.276 1.00 0.48 C ATOM 861 CD LYS A 61 4.147 12.604 -4.568 1.00 0.49 C ATOM 862 CE LYS A 61 4.718 11.196 -4.499 1.00 0.36 C ATOM 863 NZ LYS A 61 5.915 11.145 -3.620 1.00 1.10 N ATOM 0 H LYS A 61 1.320 11.151 -1.291 1.00 0.32 H new ATOM 0 HA LYS A 61 1.672 13.911 -1.673 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.074 11.381 -3.110 1.00 0.33 H new ATOM 0 HB3 LYS A 61 1.557 12.652 -4.200 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.427 14.091 -3.190 1.00 0.48 H new ATOM 0 HG3 LYS A 61 4.009 12.628 -2.421 1.00 0.48 H new ATOM 0 HD2 LYS A 61 3.441 12.668 -5.396 1.00 0.49 H new ATOM 0 HD3 LYS A 61 4.950 13.310 -4.778 1.00 0.49 H new ATOM 0 HE2 LYS A 61 3.958 10.510 -4.124 1.00 0.36 H new ATOM 0 HE3 LYS A 61 4.984 10.859 -5.501 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.885 10.280 -3.043 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 6.775 11.141 -4.205 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 5.924 11.977 -2.997 1.00 1.10 H new ATOM 877 N GLY A 62 -1.112 12.619 -2.795 1.00 0.34 N ATOM 878 CA GLY A 62 -2.351 12.882 -3.494 1.00 0.36 C ATOM 879 C GLY A 62 -2.460 12.045 -4.752 1.00 0.33 C ATOM 880 O GLY A 62 -3.487 12.042 -5.427 1.00 0.35 O ATOM 0 H GLY A 62 -1.058 11.700 -2.356 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.194 12.668 -2.837 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.409 13.940 -3.752 1.00 0.36 H new ATOM 884 N ASP A 63 -1.389 11.321 -5.056 1.00 0.31 N ATOM 885 CA ASP A 63 -1.352 10.423 -6.199 1.00 0.30 C ATOM 886 C ASP A 63 -1.902 9.056 -5.816 1.00 0.27 C ATOM 887 O ASP A 63 -1.167 8.065 -5.765 1.00 0.32 O ATOM 888 CB ASP A 63 0.075 10.271 -6.716 1.00 0.32 C ATOM 889 CG ASP A 63 0.579 11.496 -7.444 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.089 11.778 -8.559 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.489 12.168 -6.919 1.00 1.26 O ATOM 0 H ASP A 63 -0.524 11.341 -4.516 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.971 10.852 -6.987 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.737 10.057 -5.877 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.122 9.413 -7.387 1.00 0.32 H new ATOM 896 N TYR A 64 -3.197 9.008 -5.552 1.00 0.27 N ATOM 897 CA TYR A 64 -3.857 7.770 -5.162 1.00 0.28 C ATOM 898 C TYR A 64 -3.780 6.752 -6.293 1.00 0.29 C ATOM 899 O TYR A 64 -3.713 5.544 -6.055 1.00 0.34 O ATOM 900 CB TYR A 64 -5.310 8.049 -4.768 1.00 0.29 C ATOM 901 CG TYR A 64 -5.425 9.019 -3.612 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.217 8.599 -2.306 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.715 10.359 -3.830 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.299 9.485 -1.251 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.796 11.252 -2.779 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.586 10.809 -1.491 1.00 0.38 C ATOM 907 OH TYR A 64 -5.665 11.692 -0.438 1.00 0.43 O ATOM 0 H TYR A 64 -3.817 9.817 -5.601 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.345 7.351 -4.296 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.845 8.451 -5.629 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.796 7.111 -4.500 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.987 7.562 -2.112 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.880 10.709 -4.838 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.138 9.140 -0.240 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.023 12.291 -2.966 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.874 12.587 -0.777 1.00 0.43 H new ATOM 917 N ASN A 65 -3.748 7.259 -7.523 1.00 0.31 N ATOM 918 CA ASN A 65 -3.577 6.421 -8.708 1.00 0.37 C ATOM 919 C ASN A 65 -2.273 5.638 -8.654 1.00 0.33 C ATOM 920 O ASN A 65 -2.200 4.500 -9.113 1.00 0.34 O ATOM 921 CB ASN A 65 -3.598 7.273 -9.976 1.00 0.47 C ATOM 922 CG ASN A 65 -4.995 7.508 -10.513 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.484 6.748 -11.350 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.643 8.566 -10.052 1.00 2.18 N ATOM 0 H ASN A 65 -3.839 8.254 -7.726 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.408 5.715 -8.727 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.129 8.235 -9.768 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.998 6.785 -10.744 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.582 8.776 -10.390 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.203 9.171 -9.359 1.00 2.18 H new ATOM 931 N LYS A 66 -1.242 6.245 -8.086 1.00 0.34 N ATOM 932 CA LYS A 66 0.059 5.611 -8.003 1.00 0.32 C ATOM 933 C LYS A 66 0.141 4.738 -6.759 1.00 0.31 C ATOM 934 O LYS A 66 0.838 3.724 -6.749 1.00 0.32 O ATOM 935 CB LYS A 66 1.146 6.671 -7.980 1.00 0.29 C ATOM 936 CG LYS A 66 2.379 6.301 -8.774 1.00 0.40 C ATOM 937 CD LYS A 66 2.986 5.051 -8.298 1.00 0.63 C ATOM 938 CE LYS A 66 4.409 4.963 -8.777 1.00 0.42 C ATOM 939 NZ LYS A 66 4.522 5.007 -10.258 1.00 0.68 N ATOM 0 H LYS A 66 -1.284 7.178 -7.676 1.00 0.34 H new ATOM 0 HA LYS A 66 0.203 4.977 -8.878 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.739 7.603 -8.372 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.435 6.859 -6.946 1.00 0.29 H new ATOM 0 HG2 LYS A 66 2.115 6.198 -9.826 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.109 7.107 -8.706 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.956 5.013 -7.209 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.416 4.197 -8.663 1.00 0.63 H new ATOM 0 HE2 LYS A 66 4.983 5.785 -8.349 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.854 4.038 -8.411 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.496 4.774 -10.539 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.866 4.317 -10.677 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.283 5.961 -10.596 1.00 0.68 H new ATOM 953 N CYS A 67 -0.575 5.126 -5.717 1.00 0.31 N ATOM 954 CA CYS A 67 -0.629 4.324 -4.507 1.00 0.32 C ATOM 955 C CYS A 67 -1.170 2.932 -4.828 1.00 0.36 C ATOM 956 O CYS A 67 -0.588 1.922 -4.432 1.00 0.39 O ATOM 957 CB CYS A 67 -1.492 5.012 -3.448 1.00 0.33 C ATOM 958 SG CYS A 67 -1.818 4.007 -1.980 1.00 1.29 S ATOM 0 H CYS A 67 -1.123 5.985 -5.684 1.00 0.31 H new ATOM 0 HA CYS A 67 0.379 4.220 -4.106 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -1.000 5.935 -3.140 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.444 5.293 -3.899 1.00 0.33 H new ATOM 0 HG CYS A 67 -0.784 4.041 -1.192 1.00 1.29 H new ATOM 964 N ARG A 68 -2.267 2.882 -5.577 1.00 0.38 N ATOM 965 CA ARG A 68 -2.840 1.612 -5.999 1.00 0.45 C ATOM 966 C ARG A 68 -1.969 0.956 -7.073 1.00 0.42 C ATOM 967 O ARG A 68 -1.974 -0.267 -7.227 1.00 0.48 O ATOM 968 CB ARG A 68 -4.286 1.808 -6.489 1.00 0.60 C ATOM 969 CG ARG A 68 -4.439 2.757 -7.670 1.00 1.00 C ATOM 970 CD ARG A 68 -4.374 2.023 -9.002 1.00 1.21 C ATOM 971 NE ARG A 68 -4.402 2.943 -10.139 1.00 1.92 N ATOM 972 CZ ARG A 68 -5.336 2.933 -11.094 1.00 2.48 C ATOM 973 NH1 ARG A 68 -6.358 2.089 -11.030 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.253 3.787 -12.105 1.00 3.39 N ATOM 0 H ARG A 68 -2.775 3.705 -5.903 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.867 0.941 -5.141 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.695 0.837 -6.767 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.888 2.182 -5.661 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -5.390 3.283 -7.592 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -3.653 3.512 -7.633 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.463 1.425 -9.042 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.213 1.331 -9.075 1.00 1.21 H new ATOM 0 HE ARG A 68 -3.659 3.638 -10.207 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -6.435 1.440 -10.247 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -7.066 2.089 -11.764 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -4.478 4.448 -12.152 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -5.964 3.782 -12.836 1.00 3.39 H new ATOM 988 N GLU A 69 -1.209 1.779 -7.795 1.00 0.38 N ATOM 989 CA GLU A 69 -0.319 1.294 -8.843 1.00 0.37 C ATOM 990 C GLU A 69 0.791 0.438 -8.240 1.00 0.31 C ATOM 991 O GLU A 69 0.976 -0.727 -8.607 1.00 0.34 O ATOM 992 CB GLU A 69 0.295 2.476 -9.622 1.00 0.38 C ATOM 993 CG GLU A 69 0.996 2.061 -10.904 1.00 0.67 C ATOM 994 CD GLU A 69 0.036 1.504 -11.935 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.500 2.288 -12.744 1.00 1.19 O ATOM 996 OE2 GLU A 69 -0.186 0.275 -11.941 1.00 2.08 O ATOM 0 H GLU A 69 -1.194 2.791 -7.670 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.902 0.685 -9.533 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.493 3.190 -9.863 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.007 2.993 -8.979 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.517 2.921 -11.324 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.753 1.311 -10.674 1.00 0.67 H new ATOM 1003 N LEU A 70 1.503 1.015 -7.289 1.00 0.24 N ATOM 1004 CA LEU A 70 2.663 0.367 -6.700 1.00 0.21 C ATOM 1005 C LEU A 70 2.283 -0.793 -5.788 1.00 0.22 C ATOM 1006 O LEU A 70 2.990 -1.793 -5.742 1.00 0.23 O ATOM 1007 CB LEU A 70 3.485 1.383 -5.920 1.00 0.20 C ATOM 1008 CG LEU A 70 4.260 2.391 -6.763 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.056 3.305 -5.851 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.183 1.671 -7.739 1.00 0.24 C ATOM 0 H LEU A 70 1.297 1.937 -6.905 1.00 0.24 H new ATOM 0 HA LEU A 70 3.253 -0.042 -7.520 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.817 1.930 -5.255 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.192 0.844 -5.289 1.00 0.20 H new ATOM 0 HG LEU A 70 3.557 2.990 -7.343 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.610 4.026 -6.452 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.376 3.835 -5.184 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.754 2.712 -5.261 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.728 2.405 -8.333 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.891 1.055 -7.184 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.591 1.037 -8.400 1.00 0.24 H new ATOM 1022 N CYS A 71 1.179 -0.670 -5.065 1.00 0.24 N ATOM 1023 CA CYS A 71 0.790 -1.711 -4.117 1.00 0.25 C ATOM 1024 C CYS A 71 0.508 -3.039 -4.821 1.00 0.24 C ATOM 1025 O CYS A 71 0.992 -4.078 -4.383 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.413 -1.278 -3.290 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.089 0.095 -2.162 1.00 1.10 S ATOM 0 H CYS A 71 0.543 0.126 -5.113 1.00 0.24 H new ATOM 0 HA CYS A 71 1.633 -1.864 -3.443 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.220 -0.994 -3.966 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.767 -2.131 -2.712 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.391 1.217 -2.746 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.254 -3.008 -5.912 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.539 -4.222 -6.686 1.00 0.26 C ATOM 1035 C GLU A 72 0.758 -4.815 -7.246 1.00 0.23 C ATOM 1036 O GLU A 72 0.908 -6.033 -7.340 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.518 -3.904 -7.819 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.927 -4.441 -7.605 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.032 -5.941 -7.792 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -2.848 -6.686 -6.808 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.314 -6.385 -8.927 1.00 1.68 O ATOM 0 H GLU A 72 -0.685 -2.161 -6.282 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.996 -4.960 -6.027 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.570 -2.822 -7.944 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.124 -4.314 -8.749 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.258 -4.183 -6.599 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.606 -3.947 -8.300 1.00 0.87 H new ATOM 1048 N LYS A 73 1.695 -3.937 -7.597 1.00 0.23 N ATOM 1049 CA LYS A 73 3.028 -4.347 -8.030 1.00 0.23 C ATOM 1050 C LYS A 73 3.761 -5.042 -6.889 1.00 0.20 C ATOM 1051 O LYS A 73 4.280 -6.144 -7.053 1.00 0.21 O ATOM 1052 CB LYS A 73 3.825 -3.125 -8.529 1.00 0.27 C ATOM 1053 CG LYS A 73 5.345 -3.282 -8.496 1.00 0.33 C ATOM 1054 CD LYS A 73 5.820 -4.494 -9.281 1.00 0.57 C ATOM 1055 CE LYS A 73 5.500 -4.381 -10.756 1.00 0.60 C ATOM 1056 NZ LYS A 73 6.320 -3.340 -11.433 1.00 1.23 N ATOM 0 H LYS A 73 1.553 -2.927 -7.589 1.00 0.23 H new ATOM 0 HA LYS A 73 2.931 -5.053 -8.855 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.520 -2.906 -9.552 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.552 -2.261 -7.923 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.809 -2.384 -8.904 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.676 -3.370 -7.461 1.00 0.33 H new ATOM 0 HD2 LYS A 73 6.896 -4.609 -9.152 1.00 0.57 H new ATOM 0 HD3 LYS A 73 5.353 -5.392 -8.877 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.670 -5.344 -11.237 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.443 -4.145 -10.879 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 6.115 -3.345 -12.453 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 6.090 -2.406 -11.038 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 7.329 -3.540 -11.282 1.00 1.23 H new ATOM 1070 N ALA A 74 3.789 -4.389 -5.737 1.00 0.19 N ATOM 1071 CA ALA A 74 4.418 -4.947 -4.552 1.00 0.17 C ATOM 1072 C ALA A 74 3.802 -6.282 -4.208 1.00 0.16 C ATOM 1073 O ALA A 74 4.503 -7.226 -3.879 1.00 0.16 O ATOM 1074 CB ALA A 74 4.285 -3.985 -3.383 1.00 0.18 C ATOM 0 H ALA A 74 3.380 -3.465 -5.599 1.00 0.19 H new ATOM 0 HA ALA A 74 5.477 -5.099 -4.759 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.760 -4.415 -2.502 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.769 -3.041 -3.632 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.230 -3.808 -3.176 1.00 0.18 H new ATOM 1080 N ILE A 75 2.489 -6.355 -4.298 1.00 0.16 N ATOM 1081 CA ILE A 75 1.775 -7.583 -4.024 1.00 0.16 C ATOM 1082 C ILE A 75 2.169 -8.671 -5.008 1.00 0.17 C ATOM 1083 O ILE A 75 2.398 -9.810 -4.614 1.00 0.18 O ATOM 1084 CB ILE A 75 0.256 -7.355 -4.057 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.148 -6.458 -2.892 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.498 -8.672 -4.008 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.637 -6.281 -2.760 1.00 0.23 C ATOM 0 H ILE A 75 1.892 -5.571 -4.561 1.00 0.16 H new ATOM 0 HA ILE A 75 2.050 -7.911 -3.022 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.005 -6.865 -4.995 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.243 -6.880 -1.966 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.317 -5.480 -3.018 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.570 -8.478 -4.033 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.220 -9.283 -4.867 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.246 -9.202 -3.089 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.852 -5.632 -1.911 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.032 -5.831 -3.671 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.106 -7.252 -2.602 1.00 0.23 H new ATOM 1099 N GLU A 76 2.275 -8.314 -6.281 1.00 0.18 N ATOM 1100 CA GLU A 76 2.711 -9.263 -7.297 1.00 0.21 C ATOM 1101 C GLU A 76 4.106 -9.785 -6.953 1.00 0.20 C ATOM 1102 O GLU A 76 4.359 -10.992 -6.957 1.00 0.24 O ATOM 1103 CB GLU A 76 2.730 -8.588 -8.670 1.00 0.24 C ATOM 1104 CG GLU A 76 2.989 -9.545 -9.820 1.00 0.77 C ATOM 1105 CD GLU A 76 1.872 -10.549 -10.002 1.00 1.47 C ATOM 1106 OE1 GLU A 76 0.829 -10.194 -10.590 1.00 1.62 O ATOM 1107 OE2 GLU A 76 2.030 -11.700 -9.558 1.00 2.35 O ATOM 0 H GLU A 76 2.066 -7.380 -6.633 1.00 0.18 H new ATOM 0 HA GLU A 76 2.013 -10.100 -7.325 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.774 -8.090 -8.833 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.498 -7.814 -8.674 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.115 -8.976 -10.741 1.00 0.77 H new ATOM 0 HG3 GLU A 76 3.925 -10.076 -9.643 1.00 0.77 H new ATOM 1114 N VAL A 77 4.989 -8.848 -6.630 1.00 0.21 N ATOM 1115 CA VAL A 77 6.364 -9.140 -6.239 1.00 0.22 C ATOM 1116 C VAL A 77 6.419 -10.003 -4.979 1.00 0.21 C ATOM 1117 O VAL A 77 7.122 -11.010 -4.934 1.00 0.24 O ATOM 1118 CB VAL A 77 7.125 -7.815 -5.988 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.445 -8.048 -5.274 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.353 -7.067 -7.293 1.00 0.25 C ATOM 0 H VAL A 77 4.769 -7.852 -6.632 1.00 0.21 H new ATOM 0 HA VAL A 77 6.833 -9.695 -7.051 1.00 0.22 H new ATOM 0 HB VAL A 77 6.501 -7.203 -5.337 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.947 -7.093 -5.117 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.259 -8.523 -4.311 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.078 -8.695 -5.881 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.889 -6.140 -7.092 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.941 -7.687 -7.970 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.392 -6.838 -7.754 1.00 0.25 H new ATOM 1130 N GLY A 78 5.673 -9.604 -3.963 1.00 0.19 N ATOM 1131 CA GLY A 78 5.682 -10.320 -2.706 1.00 0.21 C ATOM 1132 C GLY A 78 5.052 -11.687 -2.826 1.00 0.21 C ATOM 1133 O GLY A 78 5.528 -12.650 -2.243 1.00 0.27 O ATOM 0 H GLY A 78 5.057 -8.791 -3.987 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.709 -10.424 -2.356 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.147 -9.739 -1.955 1.00 0.21 H new ATOM 1137 N ARG A 79 3.987 -11.774 -3.600 1.00 0.21 N ATOM 1138 CA ARG A 79 3.304 -13.037 -3.820 1.00 0.28 C ATOM 1139 C ARG A 79 4.194 -13.958 -4.653 1.00 0.28 C ATOM 1140 O ARG A 79 4.094 -15.184 -4.579 1.00 0.33 O ATOM 1141 CB ARG A 79 1.969 -12.772 -4.513 1.00 0.39 C ATOM 1142 CG ARG A 79 0.947 -13.881 -4.357 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.447 -13.357 -4.657 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.470 -14.389 -4.523 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.772 -14.134 -4.423 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.218 -12.885 -4.490 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.633 -15.132 -4.277 1.00 2.63 N ATOM 0 H ARG A 79 3.573 -10.981 -4.090 1.00 0.21 H new ATOM 0 HA ARG A 79 3.104 -13.531 -2.869 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.547 -11.848 -4.118 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.152 -12.611 -5.575 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.187 -14.704 -5.031 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.983 -14.279 -3.343 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.676 -12.533 -3.981 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.471 -12.955 -5.670 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.169 -15.363 -4.505 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.561 -12.115 -4.619 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.217 -12.695 -4.413 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.297 -16.094 -4.241 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.631 -14.937 -4.200 1.00 2.63 H new ATOM 1161 N GLU A 80 5.077 -13.343 -5.432 1.00 0.27 N ATOM 1162 CA GLU A 80 6.083 -14.063 -6.199 1.00 0.32 C ATOM 1163 C GLU A 80 7.194 -14.569 -5.282 1.00 0.31 C ATOM 1164 O GLU A 80 7.507 -15.758 -5.252 1.00 0.37 O ATOM 1165 CB GLU A 80 6.675 -13.139 -7.271 1.00 0.36 C ATOM 1166 CG GLU A 80 7.863 -13.737 -8.004 1.00 0.57 C ATOM 1167 CD GLU A 80 8.261 -12.952 -9.235 1.00 1.18 C ATOM 1168 OE1 GLU A 80 7.658 -13.167 -10.307 1.00 1.22 O ATOM 1169 OE2 GLU A 80 9.173 -12.104 -9.138 1.00 1.96 O ATOM 0 H GLU A 80 5.114 -12.330 -5.549 1.00 0.27 H new ATOM 0 HA GLU A 80 5.610 -14.920 -6.679 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.898 -12.893 -7.995 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.982 -12.204 -6.803 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.713 -13.789 -7.324 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.625 -14.760 -8.295 1.00 0.57 H new ATOM 1176 N ASN A 81 7.758 -13.647 -4.512 1.00 0.29 N ATOM 1177 CA ASN A 81 8.907 -13.929 -3.658 1.00 0.35 C ATOM 1178 C ASN A 81 8.498 -14.648 -2.369 1.00 0.35 C ATOM 1179 O ASN A 81 9.340 -15.001 -1.540 1.00 0.49 O ATOM 1180 CB ASN A 81 9.631 -12.614 -3.359 1.00 0.40 C ATOM 1181 CG ASN A 81 10.831 -12.760 -2.439 1.00 0.55 C ATOM 1182 OD1 ASN A 81 10.719 -12.605 -1.221 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.984 -13.058 -3.013 1.00 1.13 N ATOM 0 H ASN A 81 7.432 -12.682 -4.461 1.00 0.29 H new ATOM 0 HA ASN A 81 9.582 -14.606 -4.182 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.960 -12.171 -4.299 1.00 0.40 H new ATOM 0 HB3 ASN A 81 8.924 -11.917 -2.908 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.823 -13.168 -2.444 1.00 1.13 H new ATOM 0 HD22 ASN A 81 12.034 -13.178 -4.025 1.00 1.13 H new ATOM 1190 N ARG A 82 7.196 -14.887 -2.232 1.00 0.32 N ATOM 1191 CA ARG A 82 6.632 -15.558 -1.061 1.00 0.37 C ATOM 1192 C ARG A 82 6.842 -14.712 0.188 1.00 0.32 C ATOM 1193 O ARG A 82 7.325 -15.188 1.217 1.00 0.38 O ATOM 1194 CB ARG A 82 7.234 -16.956 -0.880 1.00 0.47 C ATOM 1195 CG ARG A 82 6.995 -17.882 -2.058 1.00 1.04 C ATOM 1196 CD ARG A 82 5.529 -17.918 -2.456 1.00 1.99 C ATOM 1197 NE ARG A 82 4.657 -18.316 -1.352 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.332 -18.419 -1.457 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.733 -18.137 -2.609 1.00 4.01 N ATOM 1200 NH2 ARG A 82 2.606 -18.795 -0.409 1.00 4.67 N ATOM 0 H ARG A 82 6.501 -14.621 -2.930 1.00 0.32 H new ATOM 0 HA ARG A 82 5.561 -15.677 -1.222 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.307 -16.861 -0.716 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.814 -17.409 0.018 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.595 -17.553 -2.907 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.328 -18.888 -1.803 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.229 -16.933 -2.814 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.398 -18.612 -3.286 1.00 1.99 H new ATOM 0 HE ARG A 82 5.086 -18.527 -0.451 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.287 -17.842 -3.413 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.719 -18.216 -2.689 1.00 4.01 H new ATOM 0 HH21 ARG A 82 3.062 -19.006 0.479 1.00 4.67 H new ATOM 0 HH22 ARG A 82 1.592 -18.873 -0.492 1.00 4.67 H new ATOM 1214 N GLU A 83 6.475 -13.450 0.072 1.00 0.27 N ATOM 1215 CA GLU A 83 6.622 -12.482 1.141 1.00 0.27 C ATOM 1216 C GLU A 83 5.362 -12.455 2.003 1.00 0.25 C ATOM 1217 O GLU A 83 4.344 -13.048 1.638 1.00 0.25 O ATOM 1218 CB GLU A 83 6.911 -11.098 0.542 1.00 0.28 C ATOM 1219 CG GLU A 83 7.322 -10.041 1.559 1.00 0.43 C ATOM 1220 CD GLU A 83 8.423 -10.511 2.488 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.609 -10.331 2.140 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.112 -11.069 3.559 1.00 1.60 O ATOM 0 H GLU A 83 6.062 -13.064 -0.777 1.00 0.27 H new ATOM 0 HA GLU A 83 7.459 -12.767 1.779 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.703 -11.196 -0.201 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.022 -10.751 0.016 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.656 -9.147 1.032 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.452 -9.756 2.150 1.00 0.43 H new ATOM 1229 N ASP A 84 5.468 -11.803 3.157 1.00 0.26 N ATOM 1230 CA ASP A 84 4.369 -11.656 4.110 1.00 0.26 C ATOM 1231 C ASP A 84 3.056 -11.283 3.419 1.00 0.25 C ATOM 1232 O ASP A 84 2.881 -10.153 2.961 1.00 0.26 O ATOM 1233 CB ASP A 84 4.740 -10.585 5.142 1.00 0.29 C ATOM 1234 CG ASP A 84 3.796 -10.558 6.326 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.786 -11.526 7.103 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.046 -9.570 6.472 1.00 0.68 O ATOM 0 H ASP A 84 6.332 -11.355 3.462 1.00 0.26 H new ATOM 0 HA ASP A 84 4.214 -12.617 4.601 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.755 -10.765 5.497 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.739 -9.607 4.660 1.00 0.29 H new ATOM 1241 N TYR A 85 2.130 -12.239 3.352 1.00 0.26 N ATOM 1242 CA TYR A 85 0.839 -12.010 2.709 1.00 0.26 C ATOM 1243 C TYR A 85 -0.021 -11.094 3.566 1.00 0.27 C ATOM 1244 O TYR A 85 -0.976 -10.482 3.089 1.00 0.26 O ATOM 1245 CB TYR A 85 0.102 -13.332 2.451 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.259 -14.099 3.706 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.284 -13.669 4.535 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.428 -15.254 4.059 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.615 -14.368 5.679 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.102 -15.957 5.195 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.921 -15.498 6.013 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.242 -16.217 7.141 1.00 0.44 O ATOM 0 H TYR A 85 2.250 -13.177 3.734 1.00 0.26 H new ATOM 0 HA TYR A 85 1.025 -11.532 1.747 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.810 -13.123 1.892 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.725 -13.965 1.819 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.832 -12.773 4.282 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.232 -15.606 3.430 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.421 -14.023 6.309 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.638 -16.860 5.449 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.644 -16.989 7.218 1.00 0.44 H new ATOM 1262 N ARG A 86 0.314 -11.023 4.844 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.370 -10.134 5.760 1.00 0.33 C ATOM 1264 C ARG A 86 -0.085 -8.692 5.368 1.00 0.32 C ATOM 1265 O ARG A 86 -0.976 -7.843 5.377 1.00 0.32 O ATOM 1266 CB ARG A 86 0.070 -10.423 7.185 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.281 -11.828 7.625 1.00 0.44 C ATOM 1268 CD ARG A 86 0.228 -12.099 9.015 1.00 0.55 C ATOM 1269 NE ARG A 86 -0.034 -13.472 9.444 1.00 1.57 N ATOM 1270 CZ ARG A 86 0.768 -14.168 10.253 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.910 -13.641 10.684 1.00 1.57 N ATOM 1272 NH2 ARG A 86 0.434 -15.399 10.619 1.00 3.04 N ATOM 0 H ARG A 86 1.059 -11.574 5.269 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.446 -10.297 5.706 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.147 -10.279 7.266 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.399 -9.706 7.859 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.362 -11.963 7.597 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.148 -12.549 6.929 1.00 0.44 H new ATOM 0 HD2 ARG A 86 1.301 -11.908 9.050 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.242 -11.407 9.713 1.00 0.55 H new ATOM 0 HE ARG A 86 -0.882 -13.926 9.104 1.00 1.57 H new ATOM 0 HH11 ARG A 86 2.178 -12.700 10.397 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.518 -14.178 11.302 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -0.435 -15.813 10.282 1.00 3.04 H new ATOM 0 HH22 ARG A 86 1.046 -15.931 11.237 1.00 3.04 H new ATOM 1286 N GLN A 87 1.168 -8.453 5.006 1.00 0.33 N ATOM 1287 CA GLN A 87 1.615 -7.189 4.436 1.00 0.33 C ATOM 1288 C GLN A 87 0.924 -6.946 3.094 1.00 0.28 C ATOM 1289 O GLN A 87 0.568 -5.818 2.761 1.00 0.28 O ATOM 1290 CB GLN A 87 3.138 -7.248 4.263 1.00 0.39 C ATOM 1291 CG GLN A 87 3.774 -6.002 3.677 1.00 0.49 C ATOM 1292 CD GLN A 87 3.572 -4.768 4.537 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.479 -4.854 5.761 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.508 -3.609 3.903 1.00 1.46 N ATOM 0 H GLN A 87 1.914 -9.142 5.101 1.00 0.33 H new ATOM 0 HA GLN A 87 1.356 -6.363 5.099 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.590 -7.443 5.235 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.382 -8.096 3.622 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.842 -6.175 3.545 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.356 -5.820 2.687 1.00 0.49 H new ATOM 0 HE21 GLN A 87 3.589 -3.578 2.887 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.377 -2.746 4.430 1.00 1.46 H new ATOM 1303 N ILE A 88 0.737 -8.022 2.337 1.00 0.25 N ATOM 1304 CA ILE A 88 -0.005 -7.972 1.081 1.00 0.22 C ATOM 1305 C ILE A 88 -1.432 -7.500 1.302 1.00 0.20 C ATOM 1306 O ILE A 88 -1.945 -6.680 0.547 1.00 0.20 O ATOM 1307 CB ILE A 88 0.002 -9.347 0.380 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.284 -9.485 -0.417 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.208 -9.533 -0.520 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.525 -10.847 -0.996 1.00 0.23 C ATOM 0 H ILE A 88 1.093 -8.948 2.574 1.00 0.25 H new ATOM 0 HA ILE A 88 0.495 -7.251 0.434 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.049 -10.125 1.142 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.269 -8.758 -1.229 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.124 -9.226 0.227 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.162 -10.514 -0.993 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.119 -9.459 0.075 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.212 -8.760 -1.288 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.465 -10.847 -1.548 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.577 -11.580 -0.191 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.709 -11.105 -1.670 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.066 -8.015 2.338 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.402 -7.577 2.689 1.00 0.21 C ATOM 1324 C ALA A 89 -3.396 -6.100 3.047 1.00 0.22 C ATOM 1325 O ALA A 89 -4.289 -5.358 2.662 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.942 -8.405 3.833 1.00 0.24 C ATOM 0 H ALA A 89 -1.679 -8.734 2.949 1.00 0.21 H new ATOM 0 HA ALA A 89 -4.055 -7.717 1.828 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.946 -8.065 4.086 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.978 -9.454 3.538 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.292 -8.294 4.701 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.364 -5.669 3.758 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.227 -4.261 4.102 1.00 0.27 C ATOM 1334 C LYS A 90 -2.020 -3.436 2.836 1.00 0.24 C ATOM 1335 O LYS A 90 -2.453 -2.288 2.750 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.066 -4.045 5.075 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.138 -4.913 6.327 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.496 -4.825 7.014 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.806 -3.411 7.486 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.805 -2.920 8.469 1.00 1.26 N ATOM 0 H LYS A 90 -1.615 -6.268 4.105 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.143 -3.935 4.595 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.129 -4.249 4.557 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.045 -2.997 5.373 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.935 -5.950 6.060 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.359 -4.605 7.025 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.273 -5.156 6.325 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.516 -5.504 7.866 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.831 -2.740 6.628 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.798 -3.389 7.937 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.140 -2.030 8.891 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.676 -3.631 9.217 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.898 -2.755 7.988 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.358 -4.040 1.856 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.201 -3.430 0.544 1.00 0.22 C ATOM 1356 C ALA A 91 -2.553 -3.332 -0.150 1.00 0.19 C ATOM 1357 O ALA A 91 -2.887 -2.299 -0.724 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.208 -4.220 -0.301 1.00 0.22 C ATOM 0 H ALA A 91 -0.920 -4.956 1.948 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.804 -2.423 0.669 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.105 -3.748 -1.278 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.761 -4.238 0.198 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.569 -5.241 -0.428 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.334 -4.406 -0.073 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.689 -4.414 -0.614 1.00 0.16 C ATOM 1366 C TYR A 92 -5.547 -3.364 0.059 1.00 0.16 C ATOM 1367 O TYR A 92 -6.308 -2.657 -0.595 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.351 -5.780 -0.438 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.966 -6.804 -1.471 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.244 -6.602 -2.815 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.332 -7.975 -1.100 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.899 -7.546 -3.762 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.986 -8.923 -2.035 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.269 -8.707 -3.366 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.925 -9.655 -4.303 1.00 0.24 O ATOM 0 H TYR A 92 -3.050 -5.285 0.360 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.607 -4.191 -1.678 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.098 -6.167 0.549 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.433 -5.650 -0.461 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.738 -5.693 -3.125 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.104 -8.149 -0.059 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.121 -7.376 -4.805 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.494 -9.834 -1.727 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.488 -10.411 -3.858 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.420 -3.270 1.371 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.178 -2.304 2.136 1.00 0.21 C ATOM 1387 C ALA A 93 -5.765 -0.889 1.771 1.00 0.23 C ATOM 1388 O ALA A 93 -6.573 0.028 1.825 1.00 0.26 O ATOM 1389 CB ALA A 93 -6.003 -2.541 3.625 1.00 0.25 C ATOM 0 H ALA A 93 -4.796 -3.854 1.927 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.233 -2.429 1.891 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.582 -1.803 4.181 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.353 -3.542 3.878 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.949 -2.448 3.887 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.505 -0.723 1.393 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.995 0.575 0.980 1.00 0.27 C ATOM 1397 C ARG A 94 -4.437 0.884 -0.446 1.00 0.24 C ATOM 1398 O ARG A 94 -4.704 2.036 -0.784 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.469 0.606 1.101 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.862 1.980 0.869 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.409 2.023 1.316 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.277 1.719 2.741 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.844 1.292 3.324 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.964 1.161 2.622 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.845 1.009 4.622 1.00 0.88 N ATOM 0 H ARG A 94 -3.816 -1.474 1.364 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.404 1.343 1.637 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.186 0.257 2.094 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.043 -0.095 0.383 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.927 2.235 -0.189 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.435 2.730 1.414 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.173 1.308 0.735 1.00 0.53 H new ATOM 0 HD3 ARG A 94 0.006 3.010 1.114 1.00 0.53 H new ATOM 0 HE ARG A 94 -1.100 1.842 3.330 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.972 1.388 1.628 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.816 0.834 3.077 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.009 1.119 5.169 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.700 0.682 5.072 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.520 -0.150 -1.276 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.093 -0.017 -2.610 1.00 0.21 C ATOM 1421 C ILE A 95 -6.551 0.388 -2.493 1.00 0.20 C ATOM 1422 O ILE A 95 -6.999 1.359 -3.103 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.997 -1.335 -3.410 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.541 -1.714 -3.634 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.713 -1.214 -4.745 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.355 -3.047 -4.322 1.00 0.22 C ATOM 0 H ILE A 95 -4.197 -1.090 -1.048 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.525 0.745 -3.143 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.483 -2.118 -2.828 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.061 -0.938 -4.231 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.030 -1.738 -2.672 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.631 -2.155 -5.289 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.765 -0.984 -4.574 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.258 -0.415 -5.331 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.291 -3.247 -4.446 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.804 -3.835 -3.717 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.836 -3.022 -5.300 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.285 -0.352 -1.681 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.662 -0.019 -1.433 1.00 0.18 C ATOM 1440 C GLY A 96 -8.793 1.333 -0.772 1.00 0.20 C ATOM 1441 O GLY A 96 -9.764 2.043 -0.991 1.00 0.23 O ATOM 0 H GLY A 96 -6.947 -1.179 -1.189 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.213 -0.021 -2.373 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.113 -0.781 -0.798 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.799 1.696 0.028 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.815 2.962 0.744 1.00 0.25 C ATOM 1447 C ASN A 97 -7.591 4.129 -0.211 1.00 0.25 C ATOM 1448 O ASN A 97 -8.220 5.173 -0.077 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.757 2.971 1.852 1.00 0.31 C ATOM 1450 CG ASN A 97 -6.926 4.122 2.825 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.033 4.613 3.043 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -5.831 4.548 3.436 1.00 1.64 N ATOM 0 H ASN A 97 -6.969 1.128 0.197 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.797 3.077 1.202 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.805 2.030 2.400 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.767 3.027 1.400 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -5.888 5.308 4.114 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -4.931 4.116 3.229 1.00 1.64 H new ATOM 1459 N SER A 98 -6.702 3.949 -1.185 1.00 0.26 N ATOM 1460 CA SER A 98 -6.464 4.985 -2.180 1.00 0.29 C ATOM 1461 C SER A 98 -7.726 5.237 -3.000 1.00 0.29 C ATOM 1462 O SER A 98 -8.088 6.382 -3.267 1.00 0.32 O ATOM 1463 CB SER A 98 -5.273 4.617 -3.075 1.00 0.32 C ATOM 1464 OG SER A 98 -5.338 3.281 -3.539 1.00 0.94 O ATOM 0 H SER A 98 -6.142 3.105 -1.304 1.00 0.26 H new ATOM 0 HA SER A 98 -6.211 5.912 -1.665 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.241 5.294 -3.929 1.00 0.32 H new ATOM 0 HB3 SER A 98 -4.346 4.761 -2.519 1.00 0.32 H new ATOM 0 HG SER A 98 -6.200 2.888 -3.286 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.412 4.158 -3.350 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.696 4.257 -4.035 1.00 0.29 C ATOM 1472 C TYR A 99 -10.749 4.861 -3.103 1.00 0.28 C ATOM 1473 O TYR A 99 -11.592 5.652 -3.520 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.166 2.878 -4.506 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.388 2.308 -5.668 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.403 2.927 -6.905 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.663 1.136 -5.533 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.717 2.403 -7.977 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.968 0.602 -6.599 1.00 0.32 C ATOM 1480 CZ TYR A 99 -7.998 1.239 -7.820 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.310 0.705 -8.885 1.00 0.43 O ATOM 0 H TYR A 99 -8.102 3.203 -3.171 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.567 4.903 -4.903 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.104 2.183 -3.669 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.217 2.944 -4.788 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -9.965 3.841 -7.032 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.641 0.632 -4.578 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.742 2.901 -8.935 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.404 -0.311 -6.477 1.00 0.32 H new ATOM 0 HH TYR A 99 -6.856 -0.116 -8.602 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.678 4.472 -1.837 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.582 4.953 -0.794 1.00 0.27 C ATOM 1493 C PHE A 100 -11.477 6.472 -0.640 1.00 0.32 C ATOM 1494 O PHE A 100 -12.438 7.141 -0.258 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.216 4.238 0.514 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.075 4.529 1.716 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.289 3.882 1.898 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.695 5.493 2.635 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.098 4.184 2.978 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.504 5.806 3.711 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.617 4.982 3.988 1.00 0.37 C ATOM 0 H PHE A 100 -9.984 3.806 -1.499 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.615 4.732 -1.061 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.242 3.164 0.331 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.186 4.494 0.763 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.606 3.133 1.187 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.754 6.007 2.509 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.104 3.794 3.028 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.289 6.665 4.329 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.077 4.979 4.965 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.306 7.014 -0.941 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.100 8.455 -0.896 1.00 0.38 C ATOM 1513 C LYS A 101 -10.557 9.114 -2.193 1.00 0.41 C ATOM 1514 O LYS A 101 -11.082 10.227 -2.181 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.627 8.786 -0.654 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.046 8.159 0.604 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.794 8.586 1.859 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.660 10.079 2.104 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.386 10.511 3.328 1.00 0.74 N ATOM 0 H LYS A 101 -9.484 6.478 -1.219 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.696 8.844 -0.071 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.045 8.454 -1.514 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.515 9.868 -0.592 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.080 7.073 0.515 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -6.997 8.439 0.696 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.848 8.325 1.763 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.407 8.039 2.719 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.605 10.338 2.198 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.046 10.624 1.242 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.268 11.536 3.458 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.397 10.288 3.229 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.001 10.011 4.155 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.364 8.420 -3.308 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.635 8.996 -4.620 1.00 0.40 C ATOM 1535 C GLU A 102 -12.092 8.773 -5.030 1.00 0.39 C ATOM 1536 O GLU A 102 -12.503 9.153 -6.129 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.683 8.403 -5.654 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.178 7.133 -6.310 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.159 6.561 -7.273 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.303 5.765 -6.831 1.00 0.45 O ATOM 1541 OE2 GLU A 102 -9.213 6.893 -8.470 1.00 0.57 O ATOM 0 H GLU A 102 -10.022 7.459 -3.330 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.470 10.072 -4.567 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.498 9.148 -6.428 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.726 8.199 -5.173 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.407 6.394 -5.543 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.106 7.338 -6.843 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.852 8.147 -4.130 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.282 7.892 -4.318 1.00 0.35 C ATOM 1550 C GLU A 103 -14.532 6.738 -5.291 1.00 0.35 C ATOM 1551 O GLU A 103 -15.630 6.587 -5.829 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.017 9.159 -4.766 1.00 0.38 C ATOM 1553 CG GLU A 103 -14.950 10.280 -3.743 1.00 1.11 C ATOM 1554 CD GLU A 103 -15.494 11.588 -4.270 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -16.724 11.797 -4.193 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -14.699 12.408 -4.776 1.00 1.31 O ATOM 0 H GLU A 103 -12.490 7.800 -3.242 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.685 7.593 -3.350 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.589 9.507 -5.706 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -16.061 8.916 -4.962 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -15.512 9.990 -2.855 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -13.915 10.421 -3.433 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.512 5.915 -5.496 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.660 4.680 -6.250 1.00 0.31 C ATOM 1565 C LYS A 104 -13.956 3.533 -5.299 1.00 0.28 C ATOM 1566 O LYS A 104 -13.195 2.573 -5.201 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.402 4.377 -7.062 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.347 5.110 -8.386 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.226 4.601 -9.274 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.207 5.331 -10.605 1.00 1.11 C ATOM 1571 NZ LYS A 104 -11.055 6.799 -10.424 1.00 1.89 N ATOM 0 H LYS A 104 -12.568 6.083 -5.148 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.490 4.799 -6.946 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.525 4.643 -6.472 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.348 3.304 -7.247 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.299 4.995 -8.903 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.210 6.176 -8.204 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.269 4.734 -8.769 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.350 3.532 -9.444 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -10.387 4.953 -11.216 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.130 5.125 -11.147 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.468 7.184 -11.191 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -11.992 7.250 -10.445 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -10.599 6.991 -9.509 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.069 3.647 -4.598 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.436 2.675 -3.583 1.00 0.25 C ATOM 1587 C TYR A 105 -15.758 1.318 -4.199 1.00 0.26 C ATOM 1588 O TYR A 105 -15.615 0.292 -3.539 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.604 3.193 -2.744 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.262 4.463 -2.005 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.500 4.435 -0.850 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -16.724 5.690 -2.455 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.206 5.597 -0.162 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -16.437 6.853 -1.774 1.00 0.39 C ATOM 1595 CZ TYR A 105 -15.588 6.799 -0.664 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.402 7.962 0.056 1.00 0.46 O ATOM 0 H TYR A 105 -15.739 4.408 -4.714 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.578 2.535 -2.925 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.462 3.373 -3.392 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.901 2.427 -2.027 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.129 3.490 -0.481 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.319 5.735 -3.355 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.672 5.549 0.776 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -16.862 7.793 -2.093 1.00 0.39 H new ATOM 0 HH TYR A 105 -14.445 8.097 0.218 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.164 1.310 -5.468 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.379 0.054 -6.183 1.00 0.35 C ATOM 1608 C LYS A 106 -15.089 -0.763 -6.172 1.00 0.31 C ATOM 1609 O LYS A 106 -15.080 -1.944 -5.817 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.797 0.302 -7.638 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.093 1.077 -7.805 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.315 0.203 -7.574 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.596 0.968 -7.869 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.808 0.139 -7.656 1.00 1.57 N ATOM 0 H LYS A 106 -16.349 2.150 -6.017 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.180 -0.487 -5.680 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -15.998 0.844 -8.143 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.898 -0.660 -8.141 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.108 1.913 -7.105 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.135 1.501 -8.808 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -19.260 -0.680 -8.210 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.326 -0.147 -6.542 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.645 1.850 -7.231 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.577 1.321 -8.900 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.615 0.755 -7.433 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -22.014 -0.403 -8.519 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.645 -0.517 -6.866 1.00 1.57 H new ATOM 1628 N ASP A 107 -13.996 -0.105 -6.547 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.683 -0.737 -6.573 1.00 0.29 C ATOM 1630 C ASP A 107 -12.133 -0.904 -5.164 1.00 0.23 C ATOM 1631 O ASP A 107 -11.411 -1.861 -4.881 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.705 0.085 -7.417 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.867 -0.150 -8.903 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.736 0.495 -9.526 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.118 -0.981 -9.460 1.00 0.67 O ATOM 0 H ASP A 107 -13.996 0.872 -6.839 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.797 -1.723 -7.023 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.850 1.144 -7.204 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.684 -0.162 -7.125 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.484 0.030 -4.285 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.034 -0.007 -2.898 1.00 0.18 C ATOM 1642 C ALA A 108 -12.445 -1.317 -2.243 1.00 0.16 C ATOM 1643 O ALA A 108 -11.604 -2.071 -1.760 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.586 1.180 -2.110 1.00 0.18 C ATOM 0 H ALA A 108 -13.082 0.825 -4.511 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.946 0.061 -2.893 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.235 1.127 -1.079 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.242 2.109 -2.564 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.676 1.151 -2.124 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.743 -1.587 -2.270 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.307 -2.796 -1.680 1.00 0.18 C ATOM 1652 C ILE A 109 -13.749 -4.047 -2.347 1.00 0.19 C ATOM 1653 O ILE A 109 -13.560 -5.078 -1.695 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.844 -2.769 -1.796 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.386 -1.594 -0.997 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.457 -4.065 -1.300 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.620 -0.966 -1.593 1.00 0.51 C ATOM 0 H ILE A 109 -14.436 -0.975 -2.701 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.027 -2.825 -0.627 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.112 -2.657 -2.847 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.614 -1.930 0.015 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.608 -0.835 -0.913 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.542 -4.014 -1.395 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.079 -4.897 -1.894 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.191 -4.216 -0.254 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.945 -0.136 -0.966 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.394 -0.598 -2.594 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.415 -1.710 -1.651 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.463 -3.947 -3.639 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.877 -5.057 -4.372 1.00 0.23 C ATOM 1671 C HIS A 110 -11.574 -5.489 -3.713 1.00 0.20 C ATOM 1672 O HIS A 110 -11.417 -6.640 -3.312 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.606 -4.674 -5.832 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.075 -5.811 -6.657 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.882 -6.719 -7.300 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.801 -6.195 -6.923 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.132 -7.610 -7.920 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.865 -7.313 -7.714 1.00 0.40 N ATOM 0 H HIS A 110 -13.628 -3.110 -4.198 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.589 -5.882 -4.355 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.529 -4.309 -6.282 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.891 -3.851 -5.858 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.902 -6.706 -7.298 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.901 -5.709 -6.575 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.496 -8.445 -8.500 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.651 -4.548 -3.593 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.338 -4.834 -3.039 1.00 0.17 C ATOM 1689 C PHE A 111 -9.401 -4.978 -1.521 1.00 0.16 C ATOM 1690 O PHE A 111 -8.518 -5.578 -0.915 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.341 -3.761 -3.462 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.057 -3.786 -4.940 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.186 -4.718 -5.477 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.664 -2.874 -5.791 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.925 -4.742 -6.834 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.408 -2.894 -7.149 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.529 -3.836 -7.669 1.00 0.32 C ATOM 0 H PHE A 111 -10.788 -3.577 -3.873 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.994 -5.789 -3.437 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.729 -2.780 -3.187 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.409 -3.900 -2.914 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.705 -5.435 -4.828 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.345 -2.139 -5.387 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.244 -5.476 -7.238 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.889 -2.181 -7.803 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.321 -3.855 -8.729 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.449 -4.435 -0.908 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.696 -4.680 0.506 1.00 0.17 C ATOM 1709 C TYR A 112 -10.952 -6.161 0.743 1.00 0.20 C ATOM 1710 O TYR A 112 -10.280 -6.785 1.556 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.880 -3.863 1.029 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.580 -2.408 1.279 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.300 -2.006 1.617 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.564 -1.436 1.149 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.006 -0.682 1.825 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.274 -0.108 1.350 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.066 0.263 1.789 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.703 1.590 1.885 1.00 0.32 O ATOM 0 H TYR A 112 -11.132 -3.830 -1.363 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.806 -4.367 1.052 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.697 -3.933 0.311 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.232 -4.312 1.958 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.520 -2.746 1.719 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.570 -1.728 0.887 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.991 -0.365 2.012 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.026 0.641 1.152 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.499 2.135 2.057 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.912 -6.725 0.016 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.209 -8.150 0.118 1.00 0.28 C ATOM 1730 C ASN A 113 -10.988 -8.980 -0.267 1.00 0.27 C ATOM 1731 O ASN A 113 -10.825 -10.107 0.189 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.396 -8.514 -0.774 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.876 -9.935 -0.547 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.438 -10.873 -1.213 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.779 -10.097 0.401 1.00 1.23 N ATOM 0 H ASN A 113 -12.496 -6.218 -0.649 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.469 -8.372 1.153 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.216 -7.822 -0.583 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.112 -8.392 -1.819 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.142 -11.028 0.606 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.114 -9.291 0.929 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.134 -8.409 -1.107 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.861 -9.030 -1.459 1.00 0.24 C ATOM 1744 C LYS A 114 -7.923 -9.053 -0.253 1.00 0.21 C ATOM 1745 O LYS A 114 -7.129 -9.975 -0.086 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.208 -8.263 -2.592 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.926 -8.376 -3.921 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.118 -9.223 -4.868 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.550 -9.053 -6.304 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.725 -9.878 -7.226 1.00 1.25 N ATOM 0 H LYS A 114 -10.301 -7.511 -1.560 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.054 -10.055 -1.776 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.147 -7.211 -2.314 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.185 -8.620 -2.714 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.912 -8.817 -3.775 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.080 -7.384 -4.347 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.064 -8.962 -4.775 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.213 -10.271 -4.585 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.599 -9.333 -6.404 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.472 -8.003 -6.586 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.050 -9.736 -8.204 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.728 -9.594 -7.148 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.820 -10.882 -6.972 1.00 1.25 H new ATOM 1764 N SER A 115 -8.006 -8.025 0.579 1.00 0.20 N ATOM 1765 CA SER A 115 -7.246 -8.000 1.815 1.00 0.21 C ATOM 1766 C SER A 115 -7.846 -8.996 2.800 1.00 0.25 C ATOM 1767 O SER A 115 -7.118 -9.712 3.479 1.00 0.28 O ATOM 1768 CB SER A 115 -7.219 -6.595 2.421 1.00 0.23 C ATOM 1769 OG SER A 115 -6.561 -6.593 3.676 1.00 1.04 O ATOM 0 H SER A 115 -8.589 -7.203 0.420 1.00 0.20 H new ATOM 0 HA SER A 115 -6.216 -8.283 1.597 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.712 -5.912 1.740 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.238 -6.228 2.541 1.00 0.23 H new ATOM 0 HG SER A 115 -5.750 -6.045 3.619 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.182 -9.039 2.873 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.869 -10.072 3.651 1.00 0.31 C ATOM 1777 C LEU A 116 -9.437 -11.448 3.153 1.00 0.33 C ATOM 1778 O LEU A 116 -9.307 -12.398 3.926 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.403 -9.955 3.538 1.00 0.34 C ATOM 1780 CG LEU A 116 -12.103 -8.912 4.432 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.594 -8.980 5.858 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.950 -7.507 3.884 1.00 0.35 C ATOM 0 H LEU A 116 -9.802 -8.377 2.407 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.597 -9.936 4.698 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.648 -9.728 2.500 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.833 -10.932 3.760 1.00 0.34 H new ATOM 0 HG LEU A 116 -13.165 -9.157 4.433 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -12.107 -8.232 6.463 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.787 -9.972 6.266 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.522 -8.784 5.871 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.457 -6.802 4.543 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.892 -7.252 3.826 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.391 -7.455 2.888 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.209 -11.523 1.848 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.775 -12.739 1.186 1.00 0.33 C ATOM 1796 C ALA A 117 -7.419 -13.210 1.711 1.00 0.33 C ATOM 1797 O ALA A 117 -7.273 -14.362 2.123 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.720 -12.505 -0.320 1.00 0.32 C ATOM 0 H ALA A 117 -9.322 -10.731 1.216 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.495 -13.528 1.403 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.394 -13.418 -0.818 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.710 -12.228 -0.682 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -8.016 -11.702 -0.538 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.433 -12.323 1.711 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.082 -12.687 2.129 1.00 0.30 C ATOM 1806 C GLU A 118 -4.935 -12.681 3.650 1.00 0.32 C ATOM 1807 O GLU A 118 -4.448 -13.648 4.239 1.00 0.36 O ATOM 1808 CB GLU A 118 -4.058 -11.744 1.496 1.00 0.27 C ATOM 1809 CG GLU A 118 -4.009 -11.839 -0.021 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.933 -13.270 -0.517 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.883 -13.915 -0.328 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.925 -13.757 -1.096 1.00 0.53 O ATOM 0 H GLU A 118 -6.541 -11.349 1.428 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.896 -13.704 1.784 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.294 -10.719 1.781 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.070 -11.968 1.899 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.895 -11.361 -0.439 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.144 -11.286 -0.388 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.372 -11.608 4.286 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.217 -11.453 5.726 1.00 0.36 C ATOM 1821 C HIS A 119 -6.396 -10.668 6.300 1.00 0.37 C ATOM 1822 O HIS A 119 -6.419 -9.436 6.268 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.865 -10.774 6.020 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.664 -10.241 7.410 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.812 -9.190 7.691 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.155 -10.643 8.597 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.785 -8.986 8.994 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.590 -9.856 9.565 1.00 0.50 N ATOM 0 H HIS A 119 -5.840 -10.826 3.827 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.216 -12.429 6.212 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -3.072 -11.492 5.813 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.739 -9.950 5.318 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -2.286 -8.656 6.999 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.865 -11.441 8.757 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.202 -8.234 9.505 1.00 0.48 H new ATOM 1837 N ARG A 120 -7.369 -11.406 6.829 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.578 -10.817 7.388 1.00 0.43 C ATOM 1839 C ARG A 120 -8.250 -9.944 8.587 1.00 0.46 C ATOM 1840 O ARG A 120 -7.710 -10.418 9.585 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.576 -11.913 7.778 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.791 -11.398 8.533 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.905 -12.430 8.579 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.485 -13.686 9.202 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.213 -14.802 9.190 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.406 -14.817 8.607 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.748 -15.902 9.763 1.00 2.87 N ATOM 0 H ARG A 120 -7.340 -12.424 6.881 1.00 0.41 H new ATOM 0 HA ARG A 120 -9.035 -10.187 6.625 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.911 -12.424 6.875 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -9.065 -12.654 8.393 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.501 -11.130 9.549 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.157 -10.489 8.056 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.751 -12.021 9.130 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.252 -12.630 7.565 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.581 -13.708 9.674 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.769 -13.972 8.166 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.960 -15.674 8.600 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -10.833 -15.895 10.213 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -12.305 -16.756 9.754 1.00 2.87 H new ATOM 1861 N THR A 121 -8.566 -8.666 8.467 1.00 0.45 N ATOM 1862 CA THR A 121 -8.288 -7.703 9.513 1.00 0.50 C ATOM 1863 C THR A 121 -9.437 -6.721 9.679 1.00 0.49 C ATOM 1864 O THR A 121 -10.034 -6.247 8.707 1.00 0.47 O ATOM 1865 CB THR A 121 -6.991 -6.939 9.224 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.822 -6.767 7.811 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.793 -7.660 9.806 1.00 0.62 C ATOM 0 H THR A 121 -9.021 -8.270 7.644 1.00 0.45 H new ATOM 0 HA THR A 121 -8.170 -8.259 10.443 1.00 0.50 H new ATOM 0 HB THR A 121 -7.063 -5.960 9.697 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.573 -7.623 7.405 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.887 -7.096 9.586 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.912 -7.750 10.886 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.717 -8.654 9.366 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.754 -6.445 10.954 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.858 -5.580 11.392 1.00 0.56 C ATOM 1877 C PRO A 122 -10.962 -4.254 10.644 1.00 0.51 C ATOM 1878 O PRO A 122 -12.063 -3.808 10.341 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.531 -5.315 12.874 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.155 -5.861 13.068 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.046 -6.988 12.115 1.00 0.69 C ATOM 0 HA PRO A 122 -11.817 -6.064 11.206 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.569 -4.250 13.103 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.248 -5.808 13.531 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.399 -5.102 12.868 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.006 -6.197 14.094 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.009 -7.236 11.887 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.514 -7.896 12.495 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.825 -3.622 10.359 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.827 -2.315 9.701 1.00 0.48 C ATOM 1891 C ASP A 123 -10.299 -2.418 8.264 1.00 0.40 C ATOM 1892 O ASP A 123 -11.042 -1.564 7.795 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.447 -1.668 9.753 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.404 -0.322 9.045 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.834 0.689 9.641 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.921 -0.258 7.897 1.00 2.06 O ATOM 0 H ASP A 123 -8.897 -3.989 10.571 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.527 -1.683 10.247 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -8.151 -1.536 10.794 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.718 -2.338 9.296 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.894 -3.468 7.566 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.332 -3.645 6.194 1.00 0.29 C ATOM 1903 C VAL A 124 -11.793 -4.051 6.168 1.00 0.28 C ATOM 1904 O VAL A 124 -12.535 -3.663 5.279 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.537 -4.707 5.428 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.878 -4.643 3.950 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -8.043 -4.547 5.641 1.00 0.31 C ATOM 0 H VAL A 124 -9.274 -4.197 7.920 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.169 -2.685 5.704 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.818 -5.686 5.816 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.309 -5.401 3.412 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.944 -4.825 3.814 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.626 -3.656 3.561 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.511 -5.317 5.083 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.729 -3.564 5.291 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.814 -4.645 6.702 1.00 0.31 H new ATOM 1917 N LEU A 125 -12.192 -4.848 7.147 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.587 -5.231 7.305 1.00 0.38 C ATOM 1919 C LEU A 125 -14.418 -3.973 7.538 1.00 0.38 C ATOM 1920 O LEU A 125 -15.435 -3.743 6.880 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.710 -6.213 8.477 1.00 0.45 C ATOM 1922 CG LEU A 125 -15.062 -6.914 8.647 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.885 -8.182 9.466 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -16.073 -6.003 9.326 1.00 0.54 C ATOM 0 H LEU A 125 -11.566 -5.244 7.848 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.957 -5.728 6.408 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.942 -6.978 8.362 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.488 -5.674 9.398 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.440 -7.166 7.656 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.849 -8.677 9.584 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.194 -8.852 8.955 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.485 -7.928 10.448 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -17.022 -6.528 9.433 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.703 -5.719 10.311 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -16.220 -5.108 8.722 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.941 -3.157 8.469 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.509 -1.846 8.749 1.00 0.42 C ATOM 1938 C LYS A 126 -14.592 -1.009 7.475 1.00 0.39 C ATOM 1939 O LYS A 126 -15.639 -0.450 7.150 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.630 -1.140 9.783 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.923 0.338 9.962 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.931 0.974 10.918 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.212 2.453 11.122 1.00 1.37 C ATOM 1944 NZ LYS A 126 -12.282 3.057 12.114 1.00 2.04 N ATOM 0 H LYS A 126 -13.141 -3.390 9.057 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.520 -1.967 9.139 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.751 -1.639 10.744 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.586 -1.257 9.493 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.878 0.841 8.996 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.936 0.469 10.342 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.972 0.461 11.879 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.920 0.846 10.531 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.119 2.976 10.170 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -14.240 2.585 11.459 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -12.503 4.067 12.228 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -12.389 2.574 13.029 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -11.303 2.953 11.780 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.476 -0.948 6.766 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.358 -0.178 5.535 1.00 0.31 C ATOM 1960 C LYS A 127 -14.276 -0.702 4.449 1.00 0.27 C ATOM 1961 O LYS A 127 -14.900 0.071 3.728 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.915 -0.225 5.045 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.103 1.008 5.405 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.301 1.424 6.852 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.567 2.715 7.152 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.119 2.484 7.395 1.00 1.48 N ATOM 0 H LYS A 127 -12.619 -1.435 7.030 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.652 0.848 5.754 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.427 -1.105 5.465 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.913 -0.346 3.962 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.046 0.809 5.227 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.387 1.832 4.750 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.364 1.551 7.055 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.942 0.635 7.513 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -10.690 3.405 6.317 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.011 3.191 8.027 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -8.623 3.397 7.428 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -8.994 1.988 8.301 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -8.726 1.904 6.626 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.354 -2.011 4.340 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.129 -2.642 3.297 1.00 0.26 C ATOM 1982 C CYS A 128 -16.611 -2.353 3.499 1.00 0.29 C ATOM 1983 O CYS A 128 -17.313 -1.986 2.558 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.860 -4.151 3.279 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.607 -5.031 1.890 1.00 0.91 S ATOM 0 H CYS A 128 -13.885 -2.663 4.968 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.830 -2.232 2.332 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.783 -4.315 3.259 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.231 -4.584 4.208 1.00 0.26 H new ATOM 0 HG CYS A 128 -16.797 -4.558 1.666 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.073 -2.493 4.740 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.451 -2.166 5.076 1.00 0.36 C ATOM 1993 C GLN A 129 -18.681 -0.668 4.948 1.00 0.32 C ATOM 1994 O GLN A 129 -19.764 -0.229 4.566 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.797 -2.610 6.495 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.768 -4.113 6.689 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.114 -4.515 8.108 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.858 -3.769 9.056 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.699 -5.691 8.267 1.00 1.10 N ATOM 0 H GLN A 129 -16.514 -2.829 5.524 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.097 -2.699 4.378 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.096 -2.149 7.191 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.790 -2.239 6.750 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.471 -4.580 5.999 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.777 -4.491 6.438 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -19.893 -6.278 7.456 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -19.956 -6.011 9.201 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.651 0.106 5.268 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.728 1.558 5.207 1.00 0.30 C ATOM 2010 C GLN A 130 -17.920 2.019 3.770 1.00 0.26 C ATOM 2011 O GLN A 130 -18.847 2.759 3.465 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.451 2.183 5.777 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.555 3.677 6.027 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.593 4.019 7.075 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.857 3.231 7.987 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -18.185 5.193 6.958 1.00 1.65 N ATOM 0 H GLN A 130 -16.747 -0.253 5.574 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.582 1.880 5.803 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.201 1.685 6.714 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.628 1.997 5.087 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.584 4.057 6.344 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.806 4.182 5.094 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -17.937 5.815 6.188 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.890 5.478 7.637 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.050 1.550 2.893 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.041 1.985 1.506 1.00 0.21 C ATOM 2027 C ALA A 131 -18.359 1.694 0.802 1.00 0.23 C ATOM 2028 O ALA A 131 -18.837 2.516 0.026 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.890 1.339 0.763 1.00 0.20 C ATOM 0 H ALA A 131 -16.333 0.861 3.120 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.909 3.067 1.505 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.894 1.673 -0.275 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.948 1.624 1.232 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.998 0.255 0.796 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.953 0.535 1.067 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.208 0.186 0.415 1.00 0.35 C ATOM 2037 C GLU A 132 -21.355 1.054 0.920 1.00 0.35 C ATOM 2038 O GLU A 132 -22.129 1.568 0.121 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.547 -1.300 0.565 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.335 -1.857 1.953 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.078 -3.156 2.172 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.755 -4.151 1.492 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -21.975 -3.197 3.038 1.00 1.41 O ATOM 0 H GLU A 132 -18.594 -0.166 1.716 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.072 0.382 -0.649 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.589 -1.452 0.282 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.940 -1.870 -0.138 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.270 -2.018 2.118 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.664 -1.124 2.690 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.460 1.242 2.234 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.527 2.079 2.779 1.00 0.36 C ATOM 2052 C LYS A 133 -22.339 3.524 2.335 1.00 0.37 C ATOM 2053 O LYS A 133 -23.305 4.210 2.013 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.612 1.975 4.307 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.337 2.334 5.051 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.391 1.880 6.506 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.610 2.434 7.232 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.757 1.861 8.595 1.00 1.90 N ATOM 0 H LYS A 133 -20.834 0.836 2.929 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.475 1.713 2.385 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.413 2.627 4.656 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.893 0.955 4.571 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.483 1.871 4.556 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.183 3.412 5.011 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.410 0.791 6.545 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.485 2.202 7.020 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.528 3.519 7.302 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.506 2.219 6.650 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.599 2.265 9.053 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.862 0.828 8.528 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.913 2.087 9.160 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.087 3.959 2.296 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.734 5.269 1.763 1.00 0.34 C ATOM 2074 C ILE A 134 -21.199 5.405 0.323 1.00 0.39 C ATOM 2075 O ILE A 134 -21.900 6.352 -0.034 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.202 5.487 1.820 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.741 5.766 3.241 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -18.772 6.615 0.917 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.242 5.936 3.366 1.00 0.33 C ATOM 0 H ILE A 134 -20.290 3.417 2.631 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.230 6.021 2.377 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.735 4.566 1.471 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.233 6.669 3.604 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.061 4.948 3.886 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.691 6.741 0.981 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.050 6.384 -0.111 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.264 7.537 1.227 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.984 6.132 4.407 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.744 5.025 3.034 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -16.918 6.773 2.747 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.816 4.436 -0.489 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.095 4.464 -1.912 1.00 0.48 C ATOM 2093 C LEU A 135 -22.594 4.369 -2.180 1.00 0.58 C ATOM 2094 O LEU A 135 -23.105 4.998 -3.106 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.353 3.320 -2.593 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.347 3.350 -4.115 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.652 4.598 -4.637 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -19.682 2.095 -4.653 1.00 1.37 C ATOM 0 H LEU A 135 -20.304 3.610 -0.181 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.749 5.413 -2.321 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.320 3.322 -2.244 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.797 2.379 -2.268 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.379 3.379 -4.465 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.663 4.592 -5.727 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.173 5.484 -4.274 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.621 4.614 -4.285 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -19.681 2.122 -5.743 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -18.655 2.043 -4.290 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.232 1.217 -4.313 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.300 3.599 -1.360 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.748 3.483 -1.481 1.00 0.72 C ATOM 2112 C LYS A 136 -25.425 4.809 -1.155 1.00 0.77 C ATOM 2113 O LYS A 136 -26.505 5.105 -1.666 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.289 2.382 -0.575 1.00 0.79 C ATOM 2115 CG LYS A 136 -24.851 0.981 -0.979 1.00 1.26 C ATOM 2116 CD LYS A 136 -25.389 -0.079 -0.028 1.00 1.73 C ATOM 2117 CE LYS A 136 -26.906 -0.172 -0.088 1.00 2.54 C ATOM 2118 NZ LYS A 136 -27.437 -1.234 0.807 1.00 3.36 N ATOM 0 H LYS A 136 -22.894 3.046 -0.605 1.00 0.58 H new ATOM 0 HA LYS A 136 -24.973 3.219 -2.514 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.963 2.573 0.447 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.378 2.426 -0.576 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -25.197 0.770 -1.991 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -23.762 0.932 -0.998 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -24.955 -1.047 -0.279 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -25.079 0.155 0.990 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -27.339 0.788 0.193 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -27.216 -0.374 -1.113 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -28.474 -1.262 0.735 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -27.045 -2.155 0.524 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -27.164 -1.029 1.789 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.788 5.605 -0.302 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.266 6.951 -0.012 1.00 0.82 C ATOM 2134 C GLU A 137 -24.991 7.873 -1.193 1.00 0.87 C ATOM 2135 O GLU A 137 -25.634 8.911 -1.356 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.586 7.521 1.235 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.913 6.775 2.512 1.00 1.02 C ATOM 2138 CD GLU A 137 -24.164 7.324 3.709 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -24.614 8.332 4.296 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -23.117 6.755 4.076 1.00 2.28 O ATOM 0 H GLU A 137 -23.940 5.341 0.200 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.339 6.890 0.168 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.506 7.508 1.085 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.879 8.564 1.351 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.985 6.834 2.699 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.669 5.720 2.386 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.026 7.481 -2.017 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.576 8.308 -3.125 1.00 0.89 C ATOM 2149 C GLN A 138 -24.428 8.091 -4.373 1.00 1.04 C ATOM 2150 O GLN A 138 -24.752 9.044 -5.084 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.113 8.021 -3.428 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.218 8.304 -2.245 1.00 0.80 C ATOM 2153 CD GLN A 138 -19.775 7.953 -2.503 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -19.351 6.836 -2.257 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.013 8.911 -3.002 1.00 1.60 N ATOM 0 H GLN A 138 -23.539 6.589 -1.935 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.685 9.352 -2.830 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.003 6.977 -3.723 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -21.794 8.627 -4.276 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.289 9.361 -1.987 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -21.575 7.741 -1.383 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.410 9.831 -3.192 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -18.028 8.730 -3.197 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.775 6.841 -4.648 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.608 6.520 -5.799 1.00 1.35 C ATOM 2166 C GLU A 139 -27.059 6.288 -5.380 1.00 1.86 C ATOM 2167 O GLU A 139 -27.424 5.140 -5.059 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.054 5.309 -6.565 1.00 1.47 C ATOM 2169 CG GLU A 139 -24.614 4.148 -5.683 1.00 1.46 C ATOM 2170 CD GLU A 139 -24.220 2.929 -6.490 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -23.160 2.967 -7.152 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -24.957 1.920 -6.460 1.00 1.94 O ATOM 2173 OXT GLU A 139 -27.831 7.269 -5.375 1.00 2.51 O ATOM 0 H GLU A 139 -24.493 6.034 -4.091 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.588 7.377 -6.473 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -25.817 4.953 -7.257 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.205 5.634 -7.166 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -23.771 4.462 -5.068 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -25.424 3.884 -5.003 1.00 1.46 H new TER 2180 GLU A 139