USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00136) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 146:sc= -2.04 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.25 F(o=-0.93,f=-0.25) USER MOD Single : A 80 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.39) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.52) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.404 K(o=-0.4,f=-2.1) USER MOD Single : A 103 LYS NZ :NH3+ -150:sc= 0.491 (180deg=-0.333) USER MOD Single : A 107 SER OG : rot 63:sc= -3.34! USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 82:sc= 1.31 USER MOD Single : A 119 CYS SG : rot 130:sc= -0.605 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 166:sc= -0.0732 (180deg=-0.354) USER MOD Single : A 129 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 -0.050 -4.360 2.529 1.00 0.00 N ATOM 2 CA LYS A 60 0.092 -4.183 1.089 1.00 0.00 C ATOM 3 C LYS A 60 -0.018 -2.710 0.708 1.00 0.00 C ATOM 4 O LYS A 60 -1.071 -2.094 0.875 1.00 0.00 O ATOM 5 CB LYS A 60 -0.974 -4.993 0.347 1.00 0.00 C ATOM 6 CG LYS A 60 -0.984 -6.466 0.718 1.00 0.00 C ATOM 7 CD LYS A 60 0.234 -7.189 0.168 1.00 0.00 C ATOM 8 CE LYS A 60 0.047 -8.698 0.196 1.00 0.00 C ATOM 9 NZ LYS A 60 -0.067 -9.217 1.587 1.00 0.00 N ATOM 0 HA LYS A 60 1.080 -4.542 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.955 -4.567 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.809 -4.898 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.010 -6.568 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.890 -6.933 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.420 -6.863 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.113 -6.919 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.849 -8.963 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.889 -9.178 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.176 -10.251 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.791 -8.971 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.896 -8.792 2.049 1.00 0.00 H new ATOM 23 N GLU A 61 1.074 -2.152 0.196 1.00 0.00 N ATOM 24 CA GLU A 61 1.098 -0.752 -0.209 1.00 0.00 C ATOM 25 C GLU A 61 2.086 -0.532 -1.351 1.00 0.00 C ATOM 26 O GLU A 61 3.162 -1.130 -1.381 1.00 0.00 O ATOM 27 CB GLU A 61 1.469 0.139 0.979 1.00 0.00 C ATOM 28 CG GLU A 61 0.560 -0.042 2.183 1.00 0.00 C ATOM 29 CD GLU A 61 0.827 0.976 3.274 1.00 0.00 C ATOM 30 OE1 GLU A 61 1.964 1.005 3.791 1.00 0.00 O ATOM 31 OE2 GLU A 61 -0.099 1.742 3.612 1.00 0.00 O ATOM 0 H GLU A 61 1.954 -2.648 0.052 1.00 0.00 H new ATOM 0 HA GLU A 61 0.101 -0.485 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.496 -0.074 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.437 1.182 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.479 0.037 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.694 -1.045 2.587 1.00 0.00 H new ATOM 38 N THR A 62 1.712 0.330 -2.291 1.00 0.00 N ATOM 39 CA THR A 62 2.562 0.628 -3.437 1.00 0.00 C ATOM 40 C THR A 62 3.953 1.065 -2.991 1.00 0.00 C ATOM 41 O THR A 62 4.208 1.237 -1.799 1.00 0.00 O ATOM 42 CB THR A 62 1.949 1.732 -4.320 1.00 0.00 C ATOM 43 OG1 THR A 62 1.430 2.784 -3.499 1.00 0.00 O ATOM 44 CG2 THR A 62 0.838 1.170 -5.195 1.00 0.00 C ATOM 0 H THR A 62 0.825 0.834 -2.281 1.00 0.00 H new ATOM 0 HA THR A 62 2.641 -0.290 -4.019 1.00 0.00 H new ATOM 0 HB THR A 62 2.733 2.128 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.044 3.482 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.420 1.967 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.242 0.389 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.055 0.750 -4.564 1.00 0.00 H new ATOM 52 N VAL A 63 4.850 1.244 -3.955 1.00 0.00 N ATOM 53 CA VAL A 63 6.215 1.662 -3.661 1.00 0.00 C ATOM 54 C VAL A 63 6.511 3.033 -4.259 1.00 0.00 C ATOM 55 O VAL A 63 5.881 3.465 -5.225 1.00 0.00 O ATOM 56 CB VAL A 63 7.242 0.648 -4.199 1.00 0.00 C ATOM 57 CG1 VAL A 63 7.311 -0.573 -3.295 1.00 0.00 C ATOM 58 CG2 VAL A 63 6.895 0.246 -5.625 1.00 0.00 C ATOM 0 H VAL A 63 4.656 1.106 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 63 6.302 1.715 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 63 8.224 1.121 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.042 -1.278 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.609 -0.267 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.332 -1.050 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.630 -0.471 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.905 -0.209 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.901 1.129 -6.264 1.00 0.00 H new ATOM 68 N PRO A 64 7.492 3.735 -3.673 1.00 0.00 N ATOM 69 CA PRO A 64 7.894 5.068 -4.132 1.00 0.00 C ATOM 70 C PRO A 64 8.597 5.028 -5.485 1.00 0.00 C ATOM 71 O PRO A 64 8.618 3.994 -6.154 1.00 0.00 O ATOM 72 CB PRO A 64 8.858 5.543 -3.042 1.00 0.00 C ATOM 73 CG PRO A 64 9.397 4.290 -2.442 1.00 0.00 C ATOM 74 CD PRO A 64 8.284 3.282 -2.518 1.00 0.00 C ATOM 0 HA PRO A 64 7.036 5.725 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.656 6.157 -3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.345 6.150 -2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.275 3.943 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.706 4.453 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.666 2.272 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.690 3.269 -1.604 1.00 0.00 H new ATOM 82 N TYR A 65 9.172 6.157 -5.881 1.00 0.00 N ATOM 83 CA TYR A 65 9.875 6.251 -7.155 1.00 0.00 C ATOM 84 C TYR A 65 11.369 6.002 -6.973 1.00 0.00 C ATOM 85 O TYR A 65 12.083 5.719 -7.935 1.00 0.00 O ATOM 86 CB TYR A 65 9.649 7.626 -7.786 1.00 0.00 C ATOM 87 CG TYR A 65 8.274 7.796 -8.392 1.00 0.00 C ATOM 88 CD1 TYR A 65 8.022 7.423 -9.707 1.00 0.00 C ATOM 89 CD2 TYR A 65 7.228 8.331 -7.651 1.00 0.00 C ATOM 90 CE1 TYR A 65 6.768 7.577 -10.265 1.00 0.00 C ATOM 91 CE2 TYR A 65 5.970 8.487 -8.200 1.00 0.00 C ATOM 92 CZ TYR A 65 5.745 8.109 -9.507 1.00 0.00 C ATOM 93 OH TYR A 65 4.494 8.264 -10.059 1.00 0.00 O ATOM 0 H TYR A 65 9.165 7.021 -5.338 1.00 0.00 H new ATOM 0 HA TYR A 65 9.476 5.484 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.800 8.394 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.400 7.790 -8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.820 7.006 -10.303 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.401 8.630 -6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.589 7.283 -11.289 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.167 8.903 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 65 3.888 8.651 -9.393 1.00 0.00 H new ATOM 103 N GLN A 66 11.833 6.109 -5.732 1.00 0.00 N ATOM 104 CA GLN A 66 13.242 5.896 -5.423 1.00 0.00 C ATOM 105 C GLN A 66 13.489 4.461 -4.970 1.00 0.00 C ATOM 106 O GLN A 66 14.328 4.208 -4.105 1.00 0.00 O ATOM 107 CB GLN A 66 13.702 6.872 -4.338 1.00 0.00 C ATOM 108 CG GLN A 66 13.023 6.653 -2.996 1.00 0.00 C ATOM 109 CD GLN A 66 12.900 7.930 -2.189 1.00 0.00 C ATOM 110 OE1 GLN A 66 11.893 8.634 -2.268 1.00 0.00 O ATOM 111 NE2 GLN A 66 13.928 8.236 -1.405 1.00 0.00 N ATOM 0 H GLN A 66 11.254 6.342 -4.925 1.00 0.00 H new ATOM 0 HA GLN A 66 13.818 6.076 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.780 6.778 -4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.508 7.891 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.030 6.234 -3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.588 5.918 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.743 7.624 -1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.902 9.083 -0.838 1.00 0.00 H new ATOM 120 N ILE A 67 12.752 3.525 -5.559 1.00 0.00 N ATOM 121 CA ILE A 67 12.892 2.115 -5.216 1.00 0.00 C ATOM 122 C ILE A 67 13.129 1.267 -6.461 1.00 0.00 C ATOM 123 O ILE A 67 12.472 1.432 -7.489 1.00 0.00 O ATOM 124 CB ILE A 67 11.645 1.589 -4.480 1.00 0.00 C ATOM 125 CG1 ILE A 67 11.766 1.848 -2.977 1.00 0.00 C ATOM 126 CG2 ILE A 67 11.456 0.104 -4.754 1.00 0.00 C ATOM 127 CD1 ILE A 67 12.898 1.088 -2.322 1.00 0.00 C ATOM 0 H ILE A 67 12.052 3.718 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 67 13.755 2.035 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 67 10.770 2.122 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.912 2.915 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.828 1.575 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.571 -0.253 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.330 -0.055 -5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.331 -0.444 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.924 1.320 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.743 0.017 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.844 1.378 -2.780 1.00 0.00 H new ATOM 139 N PRO A 68 14.090 0.335 -6.368 1.00 0.00 N ATOM 140 CA PRO A 68 14.878 0.131 -5.149 1.00 0.00 C ATOM 141 C PRO A 68 15.836 1.286 -4.878 1.00 0.00 C ATOM 142 O PRO A 68 15.892 1.810 -3.765 1.00 0.00 O ATOM 143 CB PRO A 68 15.658 -1.153 -5.444 1.00 0.00 C ATOM 144 CG PRO A 68 15.749 -1.209 -6.929 1.00 0.00 C ATOM 145 CD PRO A 68 14.480 -0.589 -7.445 1.00 0.00 C ATOM 0 HA PRO A 68 14.249 0.070 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.648 -1.129 -4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.145 -2.028 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 68 16.623 -0.665 -7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.850 -2.238 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 68 14.643 -0.064 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.711 -1.340 -7.628 1.00 0.00 H new ATOM 153 N TYR A 69 16.587 1.678 -5.901 1.00 0.00 N ATOM 154 CA TYR A 69 17.545 2.770 -5.771 1.00 0.00 C ATOM 155 C TYR A 69 17.514 3.670 -7.003 1.00 0.00 C ATOM 156 O TYR A 69 17.551 3.192 -8.137 1.00 0.00 O ATOM 157 CB TYR A 69 18.956 2.217 -5.564 1.00 0.00 C ATOM 158 CG TYR A 69 19.015 1.053 -4.602 1.00 0.00 C ATOM 159 CD1 TYR A 69 18.981 1.259 -3.228 1.00 0.00 C ATOM 160 CD2 TYR A 69 19.106 -0.254 -5.066 1.00 0.00 C ATOM 161 CE1 TYR A 69 19.035 0.198 -2.345 1.00 0.00 C ATOM 162 CE2 TYR A 69 19.159 -1.321 -4.190 1.00 0.00 C ATOM 163 CZ TYR A 69 19.124 -1.090 -2.830 1.00 0.00 C ATOM 164 OH TYR A 69 19.178 -2.150 -1.955 1.00 0.00 O ATOM 0 H TYR A 69 16.551 1.256 -6.829 1.00 0.00 H new ATOM 0 HA TYR A 69 17.265 3.365 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.359 1.902 -6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.600 3.016 -5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 69 18.911 2.266 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 69 19.136 -0.439 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 69 19.008 0.376 -1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 69 19.227 -2.331 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 69 19.238 -2.988 -2.460 1.00 0.00 H new ATOM 174 N THR A 70 17.448 4.977 -6.771 1.00 0.00 N ATOM 175 CA THR A 70 17.412 5.946 -7.860 1.00 0.00 C ATOM 176 C THR A 70 18.753 6.655 -8.009 1.00 0.00 C ATOM 177 O THR A 70 19.545 6.740 -7.070 1.00 0.00 O ATOM 178 CB THR A 70 16.309 6.998 -7.639 1.00 0.00 C ATOM 179 OG1 THR A 70 15.909 7.008 -6.265 1.00 0.00 O ATOM 180 CG2 THR A 70 15.104 6.712 -8.522 1.00 0.00 C ATOM 0 H THR A 70 17.418 5.389 -5.839 1.00 0.00 H new ATOM 0 HA THR A 70 17.195 5.390 -8.772 1.00 0.00 H new ATOM 0 HB THR A 70 16.711 7.975 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.674 7.921 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.338 7.468 -8.348 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.406 6.735 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.703 5.727 -8.282 1.00 0.00 H new ATOM 188 N PRO A 71 19.016 7.177 -9.216 1.00 0.00 N ATOM 189 CA PRO A 71 20.262 7.890 -9.516 1.00 0.00 C ATOM 190 C PRO A 71 20.344 9.237 -8.806 1.00 0.00 C ATOM 191 O PRO A 71 21.433 9.760 -8.572 1.00 0.00 O ATOM 192 CB PRO A 71 20.201 8.087 -11.033 1.00 0.00 C ATOM 193 CG PRO A 71 18.748 8.065 -11.360 1.00 0.00 C ATOM 194 CD PRO A 71 18.118 7.113 -10.381 1.00 0.00 C ATOM 0 HA PRO A 71 21.139 7.338 -9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.659 9.031 -11.328 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.737 7.295 -11.557 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.313 9.060 -11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.584 7.735 -12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.103 7.415 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.056 6.103 -10.786 1.00 0.00 H new ATOM 202 N SER A 72 19.186 9.793 -8.466 1.00 0.00 N ATOM 203 CA SER A 72 19.127 11.082 -7.786 1.00 0.00 C ATOM 204 C SER A 72 19.614 10.958 -6.345 1.00 0.00 C ATOM 205 O SER A 72 20.185 11.896 -5.790 1.00 0.00 O ATOM 206 CB SER A 72 17.699 11.629 -7.808 1.00 0.00 C ATOM 207 OG SER A 72 17.290 11.934 -9.130 1.00 0.00 O ATOM 0 H SER A 72 18.276 9.371 -8.650 1.00 0.00 H new ATOM 0 HA SER A 72 19.782 11.775 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.019 10.896 -7.373 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.640 12.525 -7.190 1.00 0.00 H new ATOM 0 HG SER A 72 16.373 12.280 -9.117 1.00 0.00 H new ATOM 213 N GLU A 73 19.384 9.793 -5.747 1.00 0.00 N ATOM 214 CA GLU A 73 19.799 9.547 -4.371 1.00 0.00 C ATOM 215 C GLU A 73 21.314 9.662 -4.230 1.00 0.00 C ATOM 216 O GLU A 73 21.816 10.325 -3.321 1.00 0.00 O ATOM 217 CB GLU A 73 19.337 8.161 -3.916 1.00 0.00 C ATOM 218 CG GLU A 73 17.856 7.908 -4.143 1.00 0.00 C ATOM 219 CD GLU A 73 16.975 8.774 -3.264 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.433 9.168 -2.171 1.00 0.00 O ATOM 221 OE2 GLU A 73 15.828 9.057 -3.668 1.00 0.00 O ATOM 0 H GLU A 73 18.913 9.006 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 73 19.335 10.303 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.912 7.403 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.559 8.044 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.615 8.096 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.637 6.858 -3.949 1.00 0.00 H new ATOM 228 N LEU A 74 22.037 9.013 -5.135 1.00 0.00 N ATOM 229 CA LEU A 74 23.495 9.041 -5.113 1.00 0.00 C ATOM 230 C LEU A 74 24.017 10.452 -5.364 1.00 0.00 C ATOM 231 O LEU A 74 24.833 10.967 -4.601 1.00 0.00 O ATOM 232 CB LEU A 74 24.060 8.082 -6.163 1.00 0.00 C ATOM 233 CG LEU A 74 23.646 6.617 -6.025 1.00 0.00 C ATOM 234 CD1 LEU A 74 23.449 6.253 -4.561 1.00 0.00 C ATOM 235 CD2 LEU A 74 22.377 6.344 -6.819 1.00 0.00 C ATOM 0 H LEU A 74 21.637 8.461 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 74 23.824 8.722 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.755 8.434 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.148 8.136 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 74 24.445 5.995 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.155 5.206 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 74 24.381 6.409 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.670 6.882 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 74 22.097 5.296 -6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 74 21.571 6.976 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 74 22.552 6.564 -7.872 1.00 0.00 H new ATOM 247 N GLU A 75 23.537 11.072 -6.438 1.00 0.00 N ATOM 248 CA GLU A 75 23.954 12.425 -6.788 1.00 0.00 C ATOM 249 C GLU A 75 23.644 13.400 -5.656 1.00 0.00 C ATOM 250 O GLU A 75 24.445 14.281 -5.346 1.00 0.00 O ATOM 251 CB GLU A 75 23.259 12.881 -8.073 1.00 0.00 C ATOM 252 CG GLU A 75 23.489 11.951 -9.252 1.00 0.00 C ATOM 253 CD GLU A 75 24.833 12.175 -9.918 1.00 0.00 C ATOM 254 OE1 GLU A 75 25.105 13.321 -10.335 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.612 11.205 -10.022 1.00 0.00 O ATOM 0 H GLU A 75 22.860 10.659 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 75 25.032 12.414 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.188 12.961 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.613 13.878 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.424 10.917 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.696 12.097 -9.985 1.00 0.00 H new ATOM 262 N GLU A 76 22.476 13.235 -5.043 1.00 0.00 N ATOM 263 CA GLU A 76 22.060 14.101 -3.947 1.00 0.00 C ATOM 264 C GLU A 76 22.933 13.879 -2.716 1.00 0.00 C ATOM 265 O GLU A 76 23.250 14.820 -1.987 1.00 0.00 O ATOM 266 CB GLU A 76 20.592 13.849 -3.597 1.00 0.00 C ATOM 267 CG GLU A 76 19.998 14.897 -2.670 1.00 0.00 C ATOM 268 CD GLU A 76 19.955 16.275 -3.300 1.00 0.00 C ATOM 269 OE1 GLU A 76 19.401 16.404 -4.411 1.00 0.00 O ATOM 270 OE2 GLU A 76 20.477 17.226 -2.680 1.00 0.00 O ATOM 0 H GLU A 76 21.802 12.510 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 76 22.176 15.135 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.008 13.817 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.502 12.869 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.988 14.598 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.584 14.939 -1.752 1.00 0.00 H new ATOM 277 N LEU A 77 23.319 12.628 -2.490 1.00 0.00 N ATOM 278 CA LEU A 77 24.155 12.279 -1.347 1.00 0.00 C ATOM 279 C LEU A 77 25.534 12.920 -1.466 1.00 0.00 C ATOM 280 O LEU A 77 25.993 13.602 -0.550 1.00 0.00 O ATOM 281 CB LEU A 77 24.294 10.760 -1.235 1.00 0.00 C ATOM 282 CG LEU A 77 24.411 10.199 0.182 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.633 10.772 0.884 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.149 10.495 0.979 1.00 0.00 C ATOM 0 H LEU A 77 23.066 11.838 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 77 23.673 12.660 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.431 10.300 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.175 10.453 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 77 24.529 9.118 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.700 10.361 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.531 10.509 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.545 11.857 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.250 10.088 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 77 23.000 11.573 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.292 10.036 0.487 1.00 0.00 H new ATOM 296 N GLN A 78 26.188 12.698 -2.601 1.00 0.00 N ATOM 297 CA GLN A 78 27.514 13.255 -2.840 1.00 0.00 C ATOM 298 C GLN A 78 27.487 14.778 -2.762 1.00 0.00 C ATOM 299 O GLN A 78 28.312 15.388 -2.083 1.00 0.00 O ATOM 300 CB GLN A 78 28.038 12.812 -4.207 1.00 0.00 C ATOM 301 CG GLN A 78 27.088 13.122 -5.353 1.00 0.00 C ATOM 302 CD GLN A 78 27.523 12.490 -6.660 1.00 0.00 C ATOM 303 OE1 GLN A 78 27.068 11.404 -7.019 1.00 0.00 O ATOM 304 NE2 GLN A 78 28.409 13.168 -7.380 1.00 0.00 N ATOM 0 H GLN A 78 25.821 12.136 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 78 28.182 12.881 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.994 13.301 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.228 11.739 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.089 12.768 -5.098 1.00 0.00 H new ATOM 0 HG3 GLN A 78 27.020 14.202 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 78 28.760 14.065 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.739 12.792 -8.269 1.00 0.00 H new ATOM 313 N GLN A 79 26.533 15.384 -3.462 1.00 0.00 N ATOM 314 CA GLN A 79 26.400 16.836 -3.472 1.00 0.00 C ATOM 315 C GLN A 79 26.268 17.381 -2.053 1.00 0.00 C ATOM 316 O GLN A 79 26.918 18.360 -1.691 1.00 0.00 O ATOM 317 CB GLN A 79 25.187 17.252 -4.306 1.00 0.00 C ATOM 318 CG GLN A 79 25.517 17.531 -5.763 1.00 0.00 C ATOM 319 CD GLN A 79 26.309 18.811 -5.947 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.598 18.674 -6.233 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.768 19.911 -5.834 1.00 0.00 N flip ATOM 0 H GLN A 79 25.842 14.893 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 79 27.301 17.255 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.435 16.464 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.743 18.144 -3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 79 26.086 16.695 -6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.592 17.595 -6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.774 19.970 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.314 20.763 -5.961 1.00 0.00 H new ATOM 330 N ASN A 80 25.421 16.739 -1.255 1.00 0.00 N ATOM 331 CA ASN A 80 25.202 17.160 0.124 1.00 0.00 C ATOM 332 C ASN A 80 26.483 17.026 0.943 1.00 0.00 C ATOM 333 O ASN A 80 26.730 17.810 1.860 1.00 0.00 O ATOM 334 CB ASN A 80 24.087 16.330 0.762 1.00 0.00 C ATOM 335 CG ASN A 80 22.715 16.935 0.536 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.508 18.129 0.749 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.768 16.110 0.103 1.00 0.00 N ATOM 0 H ASN A 80 24.875 15.926 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 80 24.905 18.209 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.108 15.321 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.270 16.242 1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.825 16.460 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.984 15.127 -0.061 1.00 0.00 H new ATOM 344 N ILE A 81 27.293 16.029 0.605 1.00 0.00 N ATOM 345 CA ILE A 81 28.548 15.793 1.308 1.00 0.00 C ATOM 346 C ILE A 81 29.518 16.953 1.104 1.00 0.00 C ATOM 347 O ILE A 81 29.976 17.570 2.065 1.00 0.00 O ATOM 348 CB ILE A 81 29.220 14.489 0.839 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.388 13.279 1.270 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.633 14.392 1.394 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.525 12.091 0.343 1.00 0.00 C ATOM 0 H ILE A 81 27.103 15.372 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 81 28.305 15.706 2.367 1.00 0.00 H new ATOM 0 HB ILE A 81 29.278 14.498 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.687 12.982 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.339 13.570 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.095 13.465 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.221 15.240 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.597 14.401 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.908 11.270 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.198 12.371 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.567 11.774 0.309 1.00 0.00 H new ATOM 363 N LYS A 82 29.826 17.244 -0.155 1.00 0.00 N ATOM 364 CA LYS A 82 30.739 18.332 -0.488 1.00 0.00 C ATOM 365 C LYS A 82 30.121 19.684 -0.147 1.00 0.00 C ATOM 366 O LYS A 82 30.830 20.677 0.021 1.00 0.00 O ATOM 367 CB LYS A 82 31.102 18.284 -1.974 1.00 0.00 C ATOM 368 CG LYS A 82 29.958 17.831 -2.865 1.00 0.00 C ATOM 369 CD LYS A 82 30.212 18.184 -4.321 1.00 0.00 C ATOM 370 CE LYS A 82 31.582 17.710 -4.779 1.00 0.00 C ATOM 371 NZ LYS A 82 31.536 17.118 -6.145 1.00 0.00 N ATOM 0 H LYS A 82 29.457 16.742 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 82 31.645 18.207 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.429 19.274 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.947 17.610 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 82 29.825 16.753 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.030 18.297 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 82 29.442 17.732 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 82 30.136 19.263 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 32.278 18.549 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.964 16.971 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 32.489 16.807 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 30.891 16.302 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 31.195 17.831 -6.821 1.00 0.00 H new ATOM 385 N LEU A 83 28.797 19.716 -0.046 1.00 0.00 N ATOM 386 CA LEU A 83 28.084 20.947 0.276 1.00 0.00 C ATOM 387 C LEU A 83 28.036 21.169 1.785 1.00 0.00 C ATOM 388 O LEU A 83 27.956 22.305 2.251 1.00 0.00 O ATOM 389 CB LEU A 83 26.663 20.899 -0.289 1.00 0.00 C ATOM 390 CG LEU A 83 26.521 21.224 -1.777 1.00 0.00 C ATOM 391 CD1 LEU A 83 25.111 20.919 -2.257 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.874 22.680 -2.041 1.00 0.00 C ATOM 0 H LEU A 83 28.195 18.904 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 83 28.621 21.779 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.258 19.902 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.045 21.597 0.276 1.00 0.00 H new ATOM 0 HG LEU A 83 27.216 20.596 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 83 25.028 21.156 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.895 19.862 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.397 21.520 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.767 22.893 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.204 23.326 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.904 22.866 -1.735 1.00 0.00 H new ATOM 404 N GLU A 84 28.087 20.077 2.541 1.00 0.00 N ATOM 405 CA GLU A 84 28.051 20.154 3.996 1.00 0.00 C ATOM 406 C GLU A 84 29.426 19.865 4.591 1.00 0.00 C ATOM 407 O GLU A 84 30.114 20.771 5.063 1.00 0.00 O ATOM 408 CB GLU A 84 27.023 19.169 4.556 1.00 0.00 C ATOM 409 CG GLU A 84 25.583 19.584 4.308 1.00 0.00 C ATOM 410 CD GLU A 84 24.588 18.705 5.040 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.330 17.578 4.569 1.00 0.00 O ATOM 412 OE2 GLU A 84 24.066 19.145 6.087 1.00 0.00 O ATOM 0 H GLU A 84 28.153 19.129 2.170 1.00 0.00 H new ATOM 0 HA GLU A 84 27.761 21.167 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.191 18.189 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.182 19.063 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.448 20.619 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.377 19.546 3.238 1.00 0.00 H new ATOM 419 N LEU A 85 29.820 18.597 4.565 1.00 0.00 N ATOM 420 CA LEU A 85 31.113 18.186 5.102 1.00 0.00 C ATOM 421 C LEU A 85 32.236 19.049 4.536 1.00 0.00 C ATOM 422 O LEU A 85 32.030 19.813 3.594 1.00 0.00 O ATOM 423 CB LEU A 85 31.375 16.713 4.782 1.00 0.00 C ATOM 424 CG LEU A 85 30.661 15.695 5.672 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.955 15.969 7.138 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.162 15.721 5.413 1.00 0.00 C ATOM 0 H LEU A 85 29.263 17.835 4.178 1.00 0.00 H new ATOM 0 HA LEU A 85 31.089 18.318 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.083 16.529 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.448 16.533 4.847 1.00 0.00 H new ATOM 0 HG LEU A 85 31.035 14.701 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.438 15.235 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.029 15.900 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.609 16.969 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.669 14.991 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.773 16.716 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.969 15.475 4.369 1.00 0.00 H new ATOM 438 N GLU A 86 33.425 18.920 5.117 1.00 0.00 N ATOM 439 CA GLU A 86 34.581 19.688 4.669 1.00 0.00 C ATOM 440 C GLU A 86 35.872 19.112 5.244 1.00 0.00 C ATOM 441 O GLU A 86 35.845 18.289 6.158 1.00 0.00 O ATOM 442 CB GLU A 86 34.437 21.154 5.080 1.00 0.00 C ATOM 443 CG GLU A 86 34.253 21.353 6.575 1.00 0.00 C ATOM 444 CD GLU A 86 35.564 21.302 7.336 1.00 0.00 C ATOM 445 OE1 GLU A 86 36.501 22.033 6.952 1.00 0.00 O ATOM 446 OE2 GLU A 86 35.654 20.530 8.313 1.00 0.00 O ATOM 0 H GLU A 86 33.613 18.292 5.898 1.00 0.00 H new ATOM 0 HA GLU A 86 34.628 19.626 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.322 21.702 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.584 21.587 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 86 33.771 22.314 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 86 33.583 20.584 6.960 1.00 0.00 H new ATOM 453 N GLY A 87 37.003 19.550 4.698 1.00 0.00 N ATOM 454 CA GLY A 87 38.288 19.068 5.168 1.00 0.00 C ATOM 455 C GLY A 87 38.471 17.582 4.932 1.00 0.00 C ATOM 456 O GLY A 87 38.339 17.103 3.805 1.00 0.00 O ATOM 0 H GLY A 87 37.052 20.230 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.084 19.614 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.384 19.278 6.233 1.00 0.00 H new ATOM 460 N LYS A 88 38.779 16.849 5.996 1.00 0.00 N ATOM 461 CA LYS A 88 38.981 15.408 5.901 1.00 0.00 C ATOM 462 C LYS A 88 37.704 14.654 6.260 1.00 0.00 C ATOM 463 O LYS A 88 37.739 13.679 7.010 1.00 0.00 O ATOM 464 CB LYS A 88 40.121 14.970 6.824 1.00 0.00 C ATOM 465 CG LYS A 88 41.019 13.905 6.219 1.00 0.00 C ATOM 466 CD LYS A 88 41.488 12.910 7.267 1.00 0.00 C ATOM 467 CE LYS A 88 41.427 11.482 6.746 1.00 0.00 C ATOM 468 NZ LYS A 88 42.634 10.699 7.132 1.00 0.00 N ATOM 0 H LYS A 88 38.894 17.229 6.935 1.00 0.00 H new ATOM 0 HA LYS A 88 39.244 15.171 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.725 15.841 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.699 14.591 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 88 40.480 13.378 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.883 14.378 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 88 42.510 13.147 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 88 40.868 13.000 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 88 40.535 10.991 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 88 41.335 11.495 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 42.554 9.732 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.483 11.153 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 42.709 10.665 8.169 1.00 0.00 H new ATOM 482 N GLU A 89 36.580 15.112 5.718 1.00 0.00 N ATOM 483 CA GLU A 89 35.293 14.479 5.982 1.00 0.00 C ATOM 484 C GLU A 89 34.510 14.278 4.688 1.00 0.00 C ATOM 485 O GLU A 89 33.977 13.198 4.435 1.00 0.00 O ATOM 486 CB GLU A 89 34.474 15.325 6.960 1.00 0.00 C ATOM 487 CG GLU A 89 35.269 15.804 8.163 1.00 0.00 C ATOM 488 CD GLU A 89 34.564 15.525 9.476 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.921 14.461 9.589 1.00 0.00 O ATOM 490 OE2 GLU A 89 34.655 16.370 10.391 1.00 0.00 O ATOM 0 H GLU A 89 36.534 15.918 5.094 1.00 0.00 H new ATOM 0 HA GLU A 89 35.482 13.502 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.073 16.190 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.622 14.741 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 89 36.244 15.316 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 89 35.449 16.875 8.072 1.00 0.00 H new ATOM 497 N GLN A 90 34.447 15.326 3.873 1.00 0.00 N ATOM 498 CA GLN A 90 33.728 15.265 2.605 1.00 0.00 C ATOM 499 C GLN A 90 34.489 14.421 1.588 1.00 0.00 C ATOM 500 O GLN A 90 33.887 13.743 0.757 1.00 0.00 O ATOM 501 CB GLN A 90 33.506 16.674 2.052 1.00 0.00 C ATOM 502 CG GLN A 90 34.781 17.496 1.951 1.00 0.00 C ATOM 503 CD GLN A 90 34.608 18.737 1.098 1.00 0.00 C ATOM 504 OE1 GLN A 90 35.451 19.047 0.255 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.513 19.456 1.313 1.00 0.00 N ATOM 0 H GLN A 90 34.884 16.227 4.067 1.00 0.00 H new ATOM 0 HA GLN A 90 32.760 14.797 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 90 33.052 16.600 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.795 17.198 2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.100 17.789 2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.575 16.878 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 90 32.841 19.162 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.344 20.302 0.769 1.00 0.00 H new ATOM 514 N GLU A 91 35.816 14.469 1.661 1.00 0.00 N ATOM 515 CA GLU A 91 36.658 13.709 0.745 1.00 0.00 C ATOM 516 C GLU A 91 36.408 12.211 0.892 1.00 0.00 C ATOM 517 O GLU A 91 36.295 11.489 -0.100 1.00 0.00 O ATOM 518 CB GLU A 91 38.135 14.017 1.001 1.00 0.00 C ATOM 519 CG GLU A 91 38.567 13.781 2.438 1.00 0.00 C ATOM 520 CD GLU A 91 39.990 14.234 2.702 1.00 0.00 C ATOM 521 OE1 GLU A 91 40.275 15.435 2.513 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.817 13.387 3.099 1.00 0.00 O ATOM 0 H GLU A 91 36.330 15.025 2.344 1.00 0.00 H new ATOM 0 HA GLU A 91 36.403 14.005 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.745 13.400 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.331 15.056 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.891 14.311 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 91 38.479 12.720 2.670 1.00 0.00 H new ATOM 529 N LEU A 92 36.323 11.750 2.135 1.00 0.00 N ATOM 530 CA LEU A 92 36.086 10.337 2.412 1.00 0.00 C ATOM 531 C LEU A 92 34.715 9.904 1.902 1.00 0.00 C ATOM 532 O LEU A 92 34.599 8.936 1.151 1.00 0.00 O ATOM 533 CB LEU A 92 36.192 10.068 3.915 1.00 0.00 C ATOM 534 CG LEU A 92 37.467 10.564 4.597 1.00 0.00 C ATOM 535 CD1 LEU A 92 37.299 10.562 6.109 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.657 9.708 4.190 1.00 0.00 C ATOM 0 H LEU A 92 36.415 12.333 2.967 1.00 0.00 H new ATOM 0 HA LEU A 92 36.847 9.757 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.337 10.530 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 92 36.111 8.993 4.078 1.00 0.00 H new ATOM 0 HG LEU A 92 37.654 11.588 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 92 38.217 10.918 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 92 36.473 11.218 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 92 37.087 9.549 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.556 10.076 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.478 8.674 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 92 38.790 9.761 3.109 1.00 0.00 H new ATOM 548 N ALA A 93 33.680 10.629 2.313 1.00 0.00 N ATOM 549 CA ALA A 93 32.318 10.323 1.894 1.00 0.00 C ATOM 550 C ALA A 93 32.206 10.290 0.373 1.00 0.00 C ATOM 551 O ALA A 93 31.770 9.294 -0.206 1.00 0.00 O ATOM 552 CB ALA A 93 31.346 11.338 2.475 1.00 0.00 C ATOM 0 H ALA A 93 33.759 11.433 2.936 1.00 0.00 H new ATOM 0 HA ALA A 93 32.061 9.334 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.333 11.097 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.398 11.310 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.610 12.336 2.125 1.00 0.00 H new ATOM 558 N LEU A 94 32.601 11.384 -0.268 1.00 0.00 N ATOM 559 CA LEU A 94 32.544 11.481 -1.723 1.00 0.00 C ATOM 560 C LEU A 94 33.418 10.414 -2.374 1.00 0.00 C ATOM 561 O LEU A 94 33.097 9.907 -3.448 1.00 0.00 O ATOM 562 CB LEU A 94 32.991 12.871 -2.179 1.00 0.00 C ATOM 563 CG LEU A 94 32.046 14.025 -1.841 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.836 15.281 -1.505 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.090 14.287 -2.995 1.00 0.00 C ATOM 0 H LEU A 94 32.964 12.216 0.196 1.00 0.00 H new ATOM 0 HA LEU A 94 31.512 11.318 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.963 13.082 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.133 12.849 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 94 31.459 13.745 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 94 32.147 16.091 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 33.479 15.088 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.449 15.565 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.425 15.111 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 94 31.659 14.546 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.499 13.392 -3.189 1.00 0.00 H new ATOM 577 N GLU A 95 34.522 10.078 -1.715 1.00 0.00 N ATOM 578 CA GLU A 95 35.441 9.069 -2.230 1.00 0.00 C ATOM 579 C GLU A 95 34.728 7.735 -2.432 1.00 0.00 C ATOM 580 O GLU A 95 34.715 7.186 -3.534 1.00 0.00 O ATOM 581 CB GLU A 95 36.623 8.889 -1.276 1.00 0.00 C ATOM 582 CG GLU A 95 37.866 9.657 -1.693 1.00 0.00 C ATOM 583 CD GLU A 95 38.709 8.900 -2.700 1.00 0.00 C ATOM 584 OE1 GLU A 95 38.180 8.551 -3.776 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.900 8.656 -2.412 1.00 0.00 O ATOM 0 H GLU A 95 34.802 10.489 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 95 35.812 9.412 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 95 36.325 9.211 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.867 7.829 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 95 37.570 10.615 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 95 38.468 9.873 -0.810 1.00 0.00 H new ATOM 592 N LEU A 96 34.137 7.220 -1.360 1.00 0.00 N ATOM 593 CA LEU A 96 33.421 5.950 -1.418 1.00 0.00 C ATOM 594 C LEU A 96 32.245 6.031 -2.385 1.00 0.00 C ATOM 595 O LEU A 96 31.995 5.103 -3.156 1.00 0.00 O ATOM 596 CB LEU A 96 32.924 5.558 -0.025 1.00 0.00 C ATOM 597 CG LEU A 96 31.963 4.371 0.035 1.00 0.00 C ATOM 598 CD1 LEU A 96 32.609 3.196 0.754 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.665 4.770 0.723 1.00 0.00 C ATOM 0 H LEU A 96 34.139 7.662 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 96 34.112 5.188 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.790 5.331 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.430 6.422 0.419 1.00 0.00 H new ATOM 0 HG LEU A 96 31.732 4.064 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.910 2.361 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.510 2.894 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.870 3.491 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 96 29.993 3.913 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.879 5.104 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.193 5.580 0.167 1.00 0.00 H new ATOM 611 N LEU A 97 31.526 7.147 -2.342 1.00 0.00 N ATOM 612 CA LEU A 97 30.376 7.351 -3.216 1.00 0.00 C ATOM 613 C LEU A 97 30.789 7.281 -4.683 1.00 0.00 C ATOM 614 O LEU A 97 30.193 6.548 -5.471 1.00 0.00 O ATOM 615 CB LEU A 97 29.721 8.702 -2.923 1.00 0.00 C ATOM 616 CG LEU A 97 28.220 8.794 -3.201 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.603 9.945 -2.422 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.963 8.959 -4.692 1.00 0.00 C ATOM 0 H LEU A 97 31.719 7.925 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 97 29.657 6.556 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.892 8.946 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.227 9.465 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 97 27.751 7.867 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.535 9.995 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.756 9.785 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.076 10.881 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.890 9.023 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.445 9.871 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.370 8.102 -5.228 1.00 0.00 H new ATOM 630 N ASN A 98 31.813 8.048 -5.042 1.00 0.00 N ATOM 631 CA ASN A 98 32.307 8.071 -6.414 1.00 0.00 C ATOM 632 C ASN A 98 32.919 6.726 -6.795 1.00 0.00 C ATOM 633 O ASN A 98 32.874 6.319 -7.956 1.00 0.00 O ATOM 634 CB ASN A 98 33.345 9.183 -6.586 1.00 0.00 C ATOM 635 CG ASN A 98 33.159 9.951 -7.880 1.00 0.00 C ATOM 636 OD1 ASN A 98 33.342 9.408 -8.969 1.00 0.00 O ATOM 637 ND2 ASN A 98 32.795 11.223 -7.765 1.00 0.00 N ATOM 0 H ASN A 98 32.317 8.662 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 98 31.462 8.266 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.278 9.872 -5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.345 8.750 -6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 98 32.656 11.791 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 98 32.654 11.632 -6.841 1.00 0.00 H new ATOM 644 N TYR A 99 33.488 6.041 -5.809 1.00 0.00 N ATOM 645 CA TYR A 99 34.110 4.743 -6.041 1.00 0.00 C ATOM 646 C TYR A 99 33.065 3.698 -6.420 1.00 0.00 C ATOM 647 O TYR A 99 33.297 2.858 -7.290 1.00 0.00 O ATOM 648 CB TYR A 99 34.872 4.289 -4.795 1.00 0.00 C ATOM 649 CG TYR A 99 36.375 4.321 -4.959 1.00 0.00 C ATOM 650 CD1 TYR A 99 37.022 3.418 -5.793 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.148 5.256 -4.280 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.395 3.443 -5.945 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.521 5.289 -4.427 1.00 0.00 C ATOM 654 CZ TYR A 99 39.140 4.380 -5.260 1.00 0.00 C ATOM 655 OH TYR A 99 40.507 4.409 -5.410 1.00 0.00 O ATOM 0 H TYR A 99 33.531 6.363 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 99 34.811 4.847 -6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.593 4.927 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.564 3.275 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.442 2.684 -6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.667 5.969 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.882 2.733 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.107 6.022 -3.893 1.00 0.00 H new ATOM 0 HH TYR A 99 40.881 5.129 -4.860 1.00 0.00 H new ATOM 665 N LEU A 100 31.913 3.758 -5.762 1.00 0.00 N ATOM 666 CA LEU A 100 30.830 2.818 -6.029 1.00 0.00 C ATOM 667 C LEU A 100 29.478 3.428 -5.672 1.00 0.00 C ATOM 668 O LEU A 100 29.073 3.427 -4.511 1.00 0.00 O ATOM 669 CB LEU A 100 31.043 1.526 -5.238 1.00 0.00 C ATOM 670 CG LEU A 100 29.979 0.443 -5.422 1.00 0.00 C ATOM 671 CD1 LEU A 100 29.751 0.164 -6.900 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.382 -0.831 -4.694 1.00 0.00 C ATOM 0 H LEU A 100 31.705 4.447 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 100 30.835 2.590 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.010 1.108 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.098 1.777 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 100 29.044 0.803 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 100 28.991 -0.609 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 100 29.417 1.076 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 100 30.682 -0.175 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.613 -1.590 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.329 -1.194 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.493 -0.622 -3.630 1.00 0.00 H new ATOM 684 N ASN A 101 28.785 3.948 -6.681 1.00 0.00 N ATOM 685 CA ASN A 101 27.478 4.561 -6.474 1.00 0.00 C ATOM 686 C ASN A 101 26.541 3.608 -5.738 1.00 0.00 C ATOM 687 O ASN A 101 25.738 4.031 -4.906 1.00 0.00 O ATOM 688 CB ASN A 101 26.863 4.964 -7.815 1.00 0.00 C ATOM 689 CG ASN A 101 26.334 3.773 -8.590 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.053 2.800 -8.821 1.00 0.00 O ATOM 691 ND2 ASN A 101 25.072 3.845 -8.997 1.00 0.00 N ATOM 0 H ASN A 101 29.107 3.957 -7.649 1.00 0.00 H new ATOM 0 HA ASN A 101 27.615 5.453 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 101 26.051 5.671 -7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 101 27.613 5.480 -8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 101 24.661 3.074 -9.524 1.00 0.00 H new ATOM 0 HD22 ASN A 101 24.513 4.671 -8.783 1.00 0.00 H new ATOM 698 N GLU A 102 26.651 2.321 -6.049 1.00 0.00 N ATOM 699 CA GLU A 102 25.812 1.308 -5.418 1.00 0.00 C ATOM 700 C GLU A 102 25.968 1.343 -3.900 1.00 0.00 C ATOM 701 O GLU A 102 25.075 0.925 -3.163 1.00 0.00 O ATOM 702 CB GLU A 102 26.168 -0.083 -5.947 1.00 0.00 C ATOM 703 CG GLU A 102 24.994 -1.048 -5.956 1.00 0.00 C ATOM 704 CD GLU A 102 25.250 -2.268 -6.820 1.00 0.00 C ATOM 705 OE1 GLU A 102 26.322 -2.331 -7.457 1.00 0.00 O ATOM 706 OE2 GLU A 102 24.376 -3.160 -6.859 1.00 0.00 O ATOM 0 H GLU A 102 27.312 1.954 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 102 24.773 1.527 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 102 26.558 0.011 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.967 -0.502 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.783 -1.368 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 102 24.106 -0.531 -6.318 1.00 0.00 H new ATOM 713 N LYS A 103 27.110 1.843 -3.440 1.00 0.00 N ATOM 714 CA LYS A 103 27.386 1.933 -2.011 1.00 0.00 C ATOM 715 C LYS A 103 27.396 3.387 -1.550 1.00 0.00 C ATOM 716 O LYS A 103 28.388 4.095 -1.720 1.00 0.00 O ATOM 717 CB LYS A 103 28.729 1.274 -1.687 1.00 0.00 C ATOM 718 CG LYS A 103 28.599 -0.145 -1.161 1.00 0.00 C ATOM 719 CD LYS A 103 28.309 -1.130 -2.281 1.00 0.00 C ATOM 720 CE LYS A 103 27.236 -2.131 -1.879 1.00 0.00 C ATOM 721 NZ LYS A 103 25.890 -1.729 -2.372 1.00 0.00 N ATOM 0 H LYS A 103 27.860 2.192 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 103 26.593 1.407 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.346 1.264 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.253 1.880 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 103 29.520 -0.431 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 103 27.800 -0.188 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 103 27.987 -0.587 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 103 29.223 -1.661 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 103 27.489 -3.114 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 103 27.213 -2.222 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 25.162 -2.080 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 25.836 -0.692 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 25.731 -2.134 -3.316 1.00 0.00 H new ATOM 735 N GLY A 104 26.287 3.825 -0.963 1.00 0.00 N ATOM 736 CA GLY A 104 26.191 5.192 -0.485 1.00 0.00 C ATOM 737 C GLY A 104 24.847 5.491 0.150 1.00 0.00 C ATOM 738 O GLY A 104 24.695 5.409 1.369 1.00 0.00 O ATOM 0 H GLY A 104 25.453 3.258 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 104 26.982 5.376 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.357 5.877 -1.316 1.00 0.00 H new ATOM 742 N PHE A 105 23.868 5.841 -0.679 1.00 0.00 N ATOM 743 CA PHE A 105 22.531 6.157 -0.191 1.00 0.00 C ATOM 744 C PHE A 105 22.035 5.082 0.772 1.00 0.00 C ATOM 745 O PHE A 105 21.487 5.387 1.832 1.00 0.00 O ATOM 746 CB PHE A 105 21.557 6.295 -1.364 1.00 0.00 C ATOM 747 CG PHE A 105 20.122 6.425 -0.939 1.00 0.00 C ATOM 748 CD1 PHE A 105 19.761 7.305 0.068 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.135 5.668 -1.548 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.441 7.425 0.461 1.00 0.00 C ATOM 751 CE2 PHE A 105 17.813 5.784 -1.160 1.00 0.00 C ATOM 752 CZ PHE A 105 17.466 6.665 -0.154 1.00 0.00 C ATOM 0 H PHE A 105 23.976 5.913 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 105 22.581 7.105 0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 105 21.833 7.168 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 105 21.658 5.426 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.519 7.904 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 105 19.401 4.979 -2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.172 8.113 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.053 5.187 -1.642 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.434 6.759 0.151 1.00 0.00 H new ATOM 762 N LEU A 106 22.230 3.823 0.395 1.00 0.00 N ATOM 763 CA LEU A 106 21.803 2.702 1.225 1.00 0.00 C ATOM 764 C LEU A 106 22.926 1.681 1.380 1.00 0.00 C ATOM 765 O LEU A 106 22.675 0.487 1.542 1.00 0.00 O ATOM 766 CB LEU A 106 20.570 2.032 0.615 1.00 0.00 C ATOM 767 CG LEU A 106 19.375 1.847 1.551 1.00 0.00 C ATOM 768 CD1 LEU A 106 18.391 2.996 1.394 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.690 0.515 1.285 1.00 0.00 C ATOM 0 H LEU A 106 22.681 3.553 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 106 21.549 3.088 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.247 2.623 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 106 20.863 1.053 0.235 1.00 0.00 H new ATOM 0 HG LEU A 106 19.739 1.846 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 106 17.547 2.847 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 106 18.887 3.936 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 106 18.032 3.030 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 106 17.842 0.401 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 106 18.339 0.486 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.398 -0.297 1.450 1.00 0.00 H new ATOM 781 N SER A 107 24.165 2.159 1.331 1.00 0.00 N ATOM 782 CA SER A 107 25.327 1.288 1.465 1.00 0.00 C ATOM 783 C SER A 107 25.215 0.422 2.716 1.00 0.00 C ATOM 784 O SER A 107 24.318 0.610 3.538 1.00 0.00 O ATOM 785 CB SER A 107 26.610 2.119 1.520 1.00 0.00 C ATOM 786 OG SER A 107 26.330 3.469 1.847 1.00 0.00 O ATOM 0 H SER A 107 24.390 3.145 1.199 1.00 0.00 H new ATOM 0 HA SER A 107 25.363 0.634 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 107 27.290 1.696 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 107 27.118 2.073 0.557 1.00 0.00 H new ATOM 0 HG SER A 107 25.936 3.514 2.743 1.00 0.00 H new ATOM 792 N LYS A 108 26.132 -0.530 2.853 1.00 0.00 N ATOM 793 CA LYS A 108 26.140 -1.426 4.002 1.00 0.00 C ATOM 794 C LYS A 108 26.303 -0.644 5.302 1.00 0.00 C ATOM 795 O LYS A 108 26.218 0.584 5.312 1.00 0.00 O ATOM 796 CB LYS A 108 27.267 -2.452 3.868 1.00 0.00 C ATOM 797 CG LYS A 108 27.041 -3.463 2.757 1.00 0.00 C ATOM 798 CD LYS A 108 27.874 -3.137 1.529 1.00 0.00 C ATOM 799 CE LYS A 108 29.354 -3.382 1.778 1.00 0.00 C ATOM 800 NZ LYS A 108 30.134 -3.404 0.510 1.00 0.00 N ATOM 0 H LYS A 108 26.880 -0.700 2.181 1.00 0.00 H new ATOM 0 HA LYS A 108 25.183 -1.948 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 108 28.205 -1.927 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 108 27.378 -2.983 4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.294 -4.461 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 108 25.985 -3.479 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 108 27.540 -3.746 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 108 27.719 -2.095 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 108 29.746 -2.603 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 108 29.482 -4.330 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 31.138 -3.574 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 29.777 -4.164 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 30.033 -2.490 0.024 1.00 0.00 H new ATOM 814 N SER A 109 26.538 -1.362 6.395 1.00 0.00 N ATOM 815 CA SER A 109 26.710 -0.735 7.700 1.00 0.00 C ATOM 816 C SER A 109 27.932 0.179 7.706 1.00 0.00 C ATOM 817 O SER A 109 28.831 0.038 6.877 1.00 0.00 O ATOM 818 CB SER A 109 26.852 -1.801 8.787 1.00 0.00 C ATOM 819 OG SER A 109 25.582 -2.236 9.243 1.00 0.00 O ATOM 0 H SER A 109 26.614 -2.379 6.403 1.00 0.00 H new ATOM 0 HA SER A 109 25.825 -0.132 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.412 -2.651 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.424 -1.399 9.623 1.00 0.00 H new ATOM 0 HG SER A 109 25.700 -2.919 9.936 1.00 0.00 H new ATOM 825 N VAL A 110 27.957 1.117 8.648 1.00 0.00 N ATOM 826 CA VAL A 110 29.068 2.054 8.764 1.00 0.00 C ATOM 827 C VAL A 110 30.405 1.323 8.773 1.00 0.00 C ATOM 828 O VAL A 110 31.392 1.807 8.221 1.00 0.00 O ATOM 829 CB VAL A 110 28.952 2.906 10.041 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.803 3.896 9.921 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.773 2.015 11.261 1.00 0.00 C ATOM 0 H VAL A 110 27.221 1.248 9.342 1.00 0.00 H new ATOM 0 HA VAL A 110 29.022 2.709 7.894 1.00 0.00 H new ATOM 0 HB VAL A 110 29.876 3.472 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.737 4.489 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 110 27.978 4.556 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 110 26.869 3.354 9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.693 2.634 12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.866 1.421 11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.632 1.351 11.356 1.00 0.00 H new ATOM 841 N GLU A 111 30.430 0.153 9.405 1.00 0.00 N ATOM 842 CA GLU A 111 31.647 -0.645 9.487 1.00 0.00 C ATOM 843 C GLU A 111 32.156 -1.005 8.094 1.00 0.00 C ATOM 844 O GLU A 111 33.357 -0.960 7.831 1.00 0.00 O ATOM 845 CB GLU A 111 31.395 -1.920 10.295 1.00 0.00 C ATOM 846 CG GLU A 111 31.124 -1.663 11.768 1.00 0.00 C ATOM 847 CD GLU A 111 31.072 -2.941 12.582 1.00 0.00 C ATOM 848 OE1 GLU A 111 32.125 -3.599 12.723 1.00 0.00 O ATOM 849 OE2 GLU A 111 29.979 -3.283 13.080 1.00 0.00 O ATOM 0 H GLU A 111 29.621 -0.262 9.867 1.00 0.00 H new ATOM 0 HA GLU A 111 32.408 -0.049 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.546 -2.451 9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.261 -2.576 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.901 -1.013 12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 111 30.178 -1.131 11.872 1.00 0.00 H new ATOM 856 N GLU A 112 31.233 -1.363 7.207 1.00 0.00 N ATOM 857 CA GLU A 112 31.588 -1.732 5.842 1.00 0.00 C ATOM 858 C GLU A 112 32.259 -0.566 5.120 1.00 0.00 C ATOM 859 O GLU A 112 33.405 -0.670 4.683 1.00 0.00 O ATOM 860 CB GLU A 112 30.344 -2.176 5.070 1.00 0.00 C ATOM 861 CG GLU A 112 30.238 -3.683 4.902 1.00 0.00 C ATOM 862 CD GLU A 112 31.445 -4.278 4.202 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.942 -3.652 3.243 1.00 0.00 O ATOM 864 OE2 GLU A 112 31.891 -5.369 4.613 1.00 0.00 O ATOM 0 H GLU A 112 30.234 -1.405 7.409 1.00 0.00 H new ATOM 0 HA GLU A 112 32.293 -2.562 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.456 -1.813 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.352 -1.709 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 112 30.125 -4.147 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 112 29.339 -3.919 4.332 1.00 0.00 H new ATOM 871 N ILE A 113 31.536 0.542 5.000 1.00 0.00 N ATOM 872 CA ILE A 113 32.060 1.727 4.332 1.00 0.00 C ATOM 873 C ILE A 113 33.397 2.150 4.932 1.00 0.00 C ATOM 874 O ILE A 113 34.344 2.456 4.208 1.00 0.00 O ATOM 875 CB ILE A 113 31.074 2.907 4.422 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.877 2.671 3.499 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.774 4.210 4.068 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.788 3.711 3.643 1.00 0.00 C ATOM 0 H ILE A 113 30.586 0.644 5.357 1.00 0.00 H new ATOM 0 HA ILE A 113 32.202 1.462 3.284 1.00 0.00 H new ATOM 0 HB ILE A 113 30.710 2.980 5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 113 30.222 2.659 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.458 1.686 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.064 5.034 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.597 4.381 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.163 4.149 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.972 3.480 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.415 3.708 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 113 29.192 4.696 3.407 1.00 0.00 H new ATOM 890 N SER A 114 33.467 2.161 6.259 1.00 0.00 N ATOM 891 CA SER A 114 34.687 2.548 6.957 1.00 0.00 C ATOM 892 C SER A 114 35.858 1.666 6.533 1.00 0.00 C ATOM 893 O SER A 114 36.950 2.159 6.252 1.00 0.00 O ATOM 894 CB SER A 114 34.486 2.454 8.471 1.00 0.00 C ATOM 895 OG SER A 114 35.629 1.906 9.104 1.00 0.00 O ATOM 0 H SER A 114 32.693 1.906 6.872 1.00 0.00 H new ATOM 0 HA SER A 114 34.916 3.580 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.282 3.445 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.615 1.836 8.688 1.00 0.00 H new ATOM 0 HG SER A 114 36.301 2.608 9.230 1.00 0.00 H new ATOM 901 N ASP A 115 35.621 0.360 6.490 1.00 0.00 N ATOM 902 CA ASP A 115 36.655 -0.592 6.099 1.00 0.00 C ATOM 903 C ASP A 115 37.107 -0.344 4.663 1.00 0.00 C ATOM 904 O ASP A 115 38.292 -0.452 4.347 1.00 0.00 O ATOM 905 CB ASP A 115 36.140 -2.025 6.245 1.00 0.00 C ATOM 906 CG ASP A 115 37.046 -2.881 7.107 1.00 0.00 C ATOM 907 OD1 ASP A 115 37.539 -2.373 8.136 1.00 0.00 O ATOM 908 OD2 ASP A 115 37.264 -4.059 6.753 1.00 0.00 O ATOM 0 H ASP A 115 34.723 -0.064 6.721 1.00 0.00 H new ATOM 0 HA ASP A 115 37.511 -0.453 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 115 35.141 -2.006 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 115 36.049 -2.478 5.258 1.00 0.00 H new ATOM 913 N VAL A 116 36.154 -0.013 3.797 1.00 0.00 N ATOM 914 CA VAL A 116 36.454 0.250 2.395 1.00 0.00 C ATOM 915 C VAL A 116 37.212 1.562 2.231 1.00 0.00 C ATOM 916 O VAL A 116 38.053 1.700 1.341 1.00 0.00 O ATOM 917 CB VAL A 116 35.170 0.302 1.546 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.500 0.624 0.097 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.410 -1.012 1.649 1.00 0.00 C ATOM 0 H VAL A 116 35.168 0.079 4.042 1.00 0.00 H new ATOM 0 HA VAL A 116 37.078 -0.573 2.046 1.00 0.00 H new ATOM 0 HB VAL A 116 34.532 1.096 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.580 0.656 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 116 35.998 1.592 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 116 36.159 -0.145 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.506 -0.958 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 116 35.040 -1.826 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 116 34.140 -1.195 2.689 1.00 0.00 H new ATOM 929 N LEU A 117 36.910 2.525 3.096 1.00 0.00 N ATOM 930 CA LEU A 117 37.564 3.828 3.048 1.00 0.00 C ATOM 931 C LEU A 117 38.838 3.829 3.886 1.00 0.00 C ATOM 932 O LEU A 117 39.602 4.795 3.872 1.00 0.00 O ATOM 933 CB LEU A 117 36.611 4.917 3.547 1.00 0.00 C ATOM 934 CG LEU A 117 36.565 6.200 2.717 1.00 0.00 C ATOM 935 CD1 LEU A 117 37.899 6.927 2.783 1.00 0.00 C ATOM 936 CD2 LEU A 117 36.196 5.888 1.274 1.00 0.00 C ATOM 0 H LEU A 117 36.217 2.428 3.838 1.00 0.00 H new ATOM 0 HA LEU A 117 37.833 4.035 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.605 4.500 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 117 36.892 5.178 4.567 1.00 0.00 H new ATOM 0 HG LEU A 117 35.798 6.853 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 117 37.847 7.838 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 117 38.122 7.184 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 117 38.685 6.281 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 117 36.168 6.813 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 117 36.939 5.216 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 117 35.216 5.412 1.244 1.00 0.00 H new ATOM 948 N ARG A 118 39.063 2.740 4.613 1.00 0.00 N ATOM 949 CA ARG A 118 40.246 2.615 5.456 1.00 0.00 C ATOM 950 C ARG A 118 40.260 3.693 6.536 1.00 0.00 C ATOM 951 O ARG A 118 41.298 3.966 7.141 1.00 0.00 O ATOM 952 CB ARG A 118 41.515 2.710 4.608 1.00 0.00 C ATOM 953 CG ARG A 118 41.565 1.704 3.470 1.00 0.00 C ATOM 954 CD ARG A 118 42.215 2.297 2.230 1.00 0.00 C ATOM 955 NE ARG A 118 42.835 1.272 1.394 1.00 0.00 N ATOM 956 CZ ARG A 118 43.424 1.529 0.232 1.00 0.00 C ATOM 957 NH1 ARG A 118 43.475 2.771 -0.229 1.00 0.00 N ATOM 958 NH2 ARG A 118 43.965 0.542 -0.472 1.00 0.00 N ATOM 0 H ARG A 118 38.442 1.931 4.635 1.00 0.00 H new ATOM 0 HA ARG A 118 40.214 1.640 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.592 3.716 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.383 2.562 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.121 0.822 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 118 40.554 1.374 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 118 41.465 2.834 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 118 42.968 3.026 2.529 1.00 0.00 H new ATOM 0 HE ARG A 118 42.814 0.306 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 118 43.061 3.532 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 118 43.928 2.965 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 118 43.928 -0.415 -0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 118 44.417 0.740 -1.364 1.00 0.00 H new ATOM 972 N CYS A 119 39.104 4.301 6.773 1.00 0.00 N ATOM 973 CA CYS A 119 38.983 5.351 7.778 1.00 0.00 C ATOM 974 C CYS A 119 38.157 4.872 8.968 1.00 0.00 C ATOM 975 O CYS A 119 37.471 3.853 8.890 1.00 0.00 O ATOM 976 CB CYS A 119 38.346 6.600 7.168 1.00 0.00 C ATOM 977 SG CYS A 119 39.016 8.155 7.802 1.00 0.00 S ATOM 0 H CYS A 119 38.236 4.085 6.283 1.00 0.00 H new ATOM 0 HA CYS A 119 39.984 5.599 8.130 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.481 6.573 6.087 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.273 6.576 7.356 1.00 0.00 H new ATOM 0 HG CYS A 119 39.336 8.927 6.807 1.00 0.00 H new ATOM 983 N SER A 120 38.229 5.614 10.068 1.00 0.00 N ATOM 984 CA SER A 120 37.491 5.262 11.276 1.00 0.00 C ATOM 985 C SER A 120 35.987 5.357 11.042 1.00 0.00 C ATOM 986 O SER A 120 35.513 6.236 10.321 1.00 0.00 O ATOM 987 CB SER A 120 37.898 6.179 12.432 1.00 0.00 C ATOM 988 OG SER A 120 39.270 6.022 12.749 1.00 0.00 O ATOM 0 H SER A 120 38.790 6.462 10.148 1.00 0.00 H new ATOM 0 HA SER A 120 37.736 4.232 11.534 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.700 7.217 12.164 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.291 5.955 13.309 1.00 0.00 H new ATOM 0 HG SER A 120 39.505 6.620 13.489 1.00 0.00 H new ATOM 994 N VAL A 121 35.240 4.445 11.656 1.00 0.00 N ATOM 995 CA VAL A 121 33.789 4.424 11.515 1.00 0.00 C ATOM 996 C VAL A 121 33.172 5.734 11.995 1.00 0.00 C ATOM 997 O VAL A 121 32.253 6.263 11.371 1.00 0.00 O ATOM 998 CB VAL A 121 33.165 3.257 12.303 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.647 3.307 12.220 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.692 1.926 11.788 1.00 0.00 C ATOM 0 H VAL A 121 35.616 3.711 12.256 1.00 0.00 H new ATOM 0 HA VAL A 121 33.576 4.291 10.454 1.00 0.00 H new ATOM 0 HB VAL A 121 33.450 3.355 13.350 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.224 2.475 12.783 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.290 4.247 12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.337 3.235 11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.241 1.112 12.356 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.438 1.817 10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.775 1.894 11.905 1.00 0.00 H new ATOM 1010 N GLU A 122 33.685 6.251 13.107 1.00 0.00 N ATOM 1011 CA GLU A 122 33.184 7.499 13.671 1.00 0.00 C ATOM 1012 C GLU A 122 33.046 8.567 12.590 1.00 0.00 C ATOM 1013 O GLU A 122 32.022 9.242 12.498 1.00 0.00 O ATOM 1014 CB GLU A 122 34.116 7.995 14.778 1.00 0.00 C ATOM 1015 CG GLU A 122 35.574 8.069 14.358 1.00 0.00 C ATOM 1016 CD GLU A 122 36.509 8.283 15.532 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.042 8.196 16.687 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.709 8.538 15.296 1.00 0.00 O ATOM 0 H GLU A 122 34.447 5.825 13.635 1.00 0.00 H new ATOM 0 HA GLU A 122 32.199 7.307 14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 122 33.789 8.983 15.101 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.028 7.333 15.639 1.00 0.00 H new ATOM 0 HG2 GLU A 122 35.847 7.148 13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.702 8.882 13.644 1.00 0.00 H new ATOM 1025 N GLU A 123 34.086 8.713 11.774 1.00 0.00 N ATOM 1026 CA GLU A 123 34.081 9.700 10.701 1.00 0.00 C ATOM 1027 C GLU A 123 32.969 9.407 9.698 1.00 0.00 C ATOM 1028 O GLU A 123 32.252 10.312 9.267 1.00 0.00 O ATOM 1029 CB GLU A 123 35.435 9.717 9.988 1.00 0.00 C ATOM 1030 CG GLU A 123 36.166 11.044 10.101 1.00 0.00 C ATOM 1031 CD GLU A 123 35.565 12.119 9.218 1.00 0.00 C ATOM 1032 OE1 GLU A 123 34.502 11.866 8.614 1.00 0.00 O ATOM 1033 OE2 GLU A 123 36.158 13.215 9.131 1.00 0.00 O ATOM 0 H GLU A 123 34.941 8.161 11.836 1.00 0.00 H new ATOM 0 HA GLU A 123 33.899 10.680 11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.064 8.929 10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.284 9.484 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.146 11.378 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 123 37.213 10.902 9.832 1.00 0.00 H new ATOM 1040 N LEU A 124 32.831 8.138 9.330 1.00 0.00 N ATOM 1041 CA LEU A 124 31.807 7.725 8.377 1.00 0.00 C ATOM 1042 C LEU A 124 30.411 8.000 8.925 1.00 0.00 C ATOM 1043 O LEU A 124 29.526 8.449 8.197 1.00 0.00 O ATOM 1044 CB LEU A 124 31.956 6.238 8.051 1.00 0.00 C ATOM 1045 CG LEU A 124 30.982 5.677 7.015 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.648 5.340 7.663 1.00 0.00 C ATOM 1047 CD2 LEU A 124 30.789 6.666 5.874 1.00 0.00 C ATOM 0 H LEU A 124 33.415 7.377 9.677 1.00 0.00 H new ATOM 0 HA LEU A 124 31.940 8.306 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 124 32.972 6.064 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 124 31.839 5.671 8.974 1.00 0.00 H new ATOM 0 HG LEU A 124 31.405 4.759 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 124 28.968 4.942 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 124 29.801 4.595 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.218 6.241 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.093 6.250 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.388 7.601 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.748 6.856 5.391 1.00 0.00 H new ATOM 1059 N GLU A 125 30.222 7.729 10.213 1.00 0.00 N ATOM 1060 CA GLU A 125 28.933 7.949 10.858 1.00 0.00 C ATOM 1061 C GLU A 125 28.600 9.437 10.917 1.00 0.00 C ATOM 1062 O GLU A 125 27.449 9.836 10.737 1.00 0.00 O ATOM 1063 CB GLU A 125 28.937 7.360 12.270 1.00 0.00 C ATOM 1064 CG GLU A 125 29.570 5.981 12.352 1.00 0.00 C ATOM 1065 CD GLU A 125 28.703 4.984 13.097 1.00 0.00 C ATOM 1066 OE1 GLU A 125 27.513 4.854 12.743 1.00 0.00 O ATOM 1067 OE2 GLU A 125 29.215 4.335 14.033 1.00 0.00 O ATOM 0 H GLU A 125 30.945 7.357 10.829 1.00 0.00 H new ATOM 0 HA GLU A 125 28.169 7.447 10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 125 29.473 8.037 12.935 1.00 0.00 H new ATOM 0 HB3 GLU A 125 27.911 7.302 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.758 5.611 11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 125 30.537 6.058 12.849 1.00 0.00 H new ATOM 1074 N LYS A 126 29.617 10.254 11.170 1.00 0.00 N ATOM 1075 CA LYS A 126 29.435 11.699 11.252 1.00 0.00 C ATOM 1076 C LYS A 126 29.003 12.270 9.906 1.00 0.00 C ATOM 1077 O LYS A 126 27.990 12.963 9.811 1.00 0.00 O ATOM 1078 CB LYS A 126 30.731 12.371 11.711 1.00 0.00 C ATOM 1079 CG LYS A 126 30.717 12.787 13.172 1.00 0.00 C ATOM 1080 CD LYS A 126 31.542 11.842 14.029 1.00 0.00 C ATOM 1081 CE LYS A 126 31.558 12.280 15.485 1.00 0.00 C ATOM 1082 NZ LYS A 126 30.184 12.510 16.011 1.00 0.00 N ATOM 0 H LYS A 126 30.576 9.940 11.322 1.00 0.00 H new ATOM 0 HA LYS A 126 28.650 11.901 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.563 11.687 11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.913 13.251 11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 126 31.108 13.800 13.266 1.00 0.00 H new ATOM 0 HG3 LYS A 126 29.690 12.806 13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 126 31.135 10.834 13.956 1.00 0.00 H new ATOM 0 HD3 LYS A 126 32.563 11.802 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 126 32.055 11.519 16.087 1.00 0.00 H new ATOM 0 HE3 LYS A 126 32.142 13.195 15.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 30.216 12.573 17.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 29.807 13.398 15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 29.568 11.720 15.731 1.00 0.00 H new ATOM 1096 N VAL A 127 29.777 11.975 8.866 1.00 0.00 N ATOM 1097 CA VAL A 127 29.472 12.457 7.525 1.00 0.00 C ATOM 1098 C VAL A 127 28.125 11.929 7.043 1.00 0.00 C ATOM 1099 O VAL A 127 27.355 12.649 6.409 1.00 0.00 O ATOM 1100 CB VAL A 127 30.563 12.044 6.519 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.884 12.716 6.857 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.716 10.531 6.491 1.00 0.00 C ATOM 0 H VAL A 127 30.620 11.404 8.927 1.00 0.00 H new ATOM 0 HA VAL A 127 29.433 13.545 7.581 1.00 0.00 H new ATOM 0 HB VAL A 127 30.260 12.374 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.642 12.412 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.761 13.798 6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.197 12.420 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.491 10.257 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 127 30.996 10.175 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.771 10.075 6.195 1.00 0.00 H new ATOM 1112 N ARG A 128 27.848 10.665 7.350 1.00 0.00 N ATOM 1113 CA ARG A 128 26.594 10.039 6.947 1.00 0.00 C ATOM 1114 C ARG A 128 25.405 10.737 7.601 1.00 0.00 C ATOM 1115 O ARG A 128 24.409 11.033 6.941 1.00 0.00 O ATOM 1116 CB ARG A 128 26.598 8.556 7.321 1.00 0.00 C ATOM 1117 CG ARG A 128 27.090 7.648 6.205 1.00 0.00 C ATOM 1118 CD ARG A 128 26.225 6.404 6.077 1.00 0.00 C ATOM 1119 NE ARG A 128 25.957 5.787 7.373 1.00 0.00 N ATOM 1120 CZ ARG A 128 25.024 4.862 7.568 1.00 0.00 C ATOM 1121 NH1 ARG A 128 24.275 4.449 6.555 1.00 0.00 N ATOM 1122 NH2 ARG A 128 24.840 4.348 8.777 1.00 0.00 N ATOM 0 H ARG A 128 28.474 10.055 7.876 1.00 0.00 H new ATOM 0 HA ARG A 128 26.499 10.134 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.228 8.413 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.588 8.258 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.086 8.194 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 128 28.122 7.356 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 128 25.281 6.666 5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.722 5.683 5.428 1.00 0.00 H new ATOM 0 HE ARG A 128 26.517 6.083 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 128 24.415 4.842 5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 128 23.559 3.739 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 128 25.415 4.663 9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 128 24.123 3.638 8.926 1.00 0.00 H new ATOM 1136 N GLN A 129 25.517 10.994 8.900 1.00 0.00 N ATOM 1137 CA GLN A 129 24.449 11.656 9.642 1.00 0.00 C ATOM 1138 C GLN A 129 24.294 13.106 9.196 1.00 0.00 C ATOM 1139 O GLN A 129 23.192 13.654 9.203 1.00 0.00 O ATOM 1140 CB GLN A 129 24.733 11.598 11.144 1.00 0.00 C ATOM 1141 CG GLN A 129 24.706 10.190 11.715 1.00 0.00 C ATOM 1142 CD GLN A 129 23.323 9.773 12.175 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.699 8.891 11.583 1.00 0.00 O ATOM 1144 NE2 GLN A 129 22.836 10.406 13.235 1.00 0.00 N ATOM 0 H GLN A 129 26.335 10.755 9.460 1.00 0.00 H new ATOM 0 HA GLN A 129 23.516 11.131 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.710 12.041 11.338 1.00 0.00 H new ATOM 0 HB3 GLN A 129 23.997 12.208 11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.060 9.489 10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.398 10.129 12.555 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.388 11.130 13.695 1.00 0.00 H new ATOM 0 HE22 GLN A 129 21.910 10.168 13.590 1.00 0.00 H new ATOM 1153 N LYS A 130 25.406 13.723 8.810 1.00 0.00 N ATOM 1154 CA LYS A 130 25.395 15.110 8.360 1.00 0.00 C ATOM 1155 C LYS A 130 24.696 15.238 7.010 1.00 0.00 C ATOM 1156 O LYS A 130 23.984 16.210 6.758 1.00 0.00 O ATOM 1157 CB LYS A 130 26.824 15.646 8.260 1.00 0.00 C ATOM 1158 CG LYS A 130 27.198 16.595 9.386 1.00 0.00 C ATOM 1159 CD LYS A 130 27.859 17.857 8.856 1.00 0.00 C ATOM 1160 CE LYS A 130 29.017 18.293 9.740 1.00 0.00 C ATOM 1161 NZ LYS A 130 28.581 19.256 10.789 1.00 0.00 N ATOM 0 H LYS A 130 26.327 13.284 8.800 1.00 0.00 H new ATOM 0 HA LYS A 130 24.843 15.700 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.519 14.806 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.944 16.161 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.304 16.861 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.874 16.092 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.220 17.682 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.122 18.658 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 130 29.463 17.418 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.791 18.752 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.399 19.529 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 28.179 20.102 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 27.861 18.810 11.392 1.00 0.00 H new ATOM 1175 N VAL A 131 24.904 14.251 6.145 1.00 0.00 N ATOM 1176 CA VAL A 131 24.293 14.253 4.821 1.00 0.00 C ATOM 1177 C VAL A 131 22.910 13.612 4.854 1.00 0.00 C ATOM 1178 O VAL A 131 22.098 13.814 3.950 1.00 0.00 O ATOM 1179 CB VAL A 131 25.168 13.506 3.797 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.553 14.131 3.721 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.260 12.029 4.152 1.00 0.00 C ATOM 0 H VAL A 131 25.491 13.439 6.337 1.00 0.00 H new ATOM 0 HA VAL A 131 24.201 15.296 4.517 1.00 0.00 H new ATOM 0 HB VAL A 131 24.702 13.592 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.157 13.590 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.465 15.174 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 131 27.031 14.078 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 131 25.882 11.516 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.702 11.920 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.262 11.592 4.150 1.00 0.00 H new ATOM 1191 N LEU A 132 22.647 12.839 5.902 1.00 0.00 N ATOM 1192 CA LEU A 132 21.360 12.168 6.054 1.00 0.00 C ATOM 1193 C LEU A 132 20.354 13.073 6.759 1.00 0.00 C ATOM 1194 O LEU A 132 19.150 12.979 6.524 1.00 0.00 O ATOM 1195 CB LEU A 132 21.532 10.867 6.840 1.00 0.00 C ATOM 1196 CG LEU A 132 20.289 9.983 6.953 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.685 8.519 7.069 1.00 0.00 C ATOM 1198 CD2 LEU A 132 19.441 10.404 8.144 1.00 0.00 C ATOM 0 H LEU A 132 23.307 12.661 6.659 1.00 0.00 H new ATOM 0 HA LEU A 132 20.978 11.937 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.326 10.285 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 132 21.870 11.115 7.846 1.00 0.00 H new ATOM 0 HG LEU A 132 19.695 10.107 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 132 19.788 7.905 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.250 8.224 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.301 8.378 7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 132 18.561 9.764 8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.026 10.310 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.127 11.440 8.019 1.00 0.00 H new ATOM 1210 N ARG A 133 20.858 13.949 7.623 1.00 0.00 N ATOM 1211 CA ARG A 133 20.003 14.871 8.361 1.00 0.00 C ATOM 1212 C ARG A 133 19.071 15.623 7.415 1.00 0.00 C ATOM 1213 O ARG A 133 17.954 15.987 7.787 1.00 0.00 O ATOM 1214 CB ARG A 133 20.854 15.865 9.153 1.00 0.00 C ATOM 1215 CG ARG A 133 21.414 16.997 8.307 1.00 0.00 C ATOM 1216 CD ARG A 133 22.518 17.745 9.038 1.00 0.00 C ATOM 1217 NE ARG A 133 22.264 19.182 9.089 1.00 0.00 N ATOM 1218 CZ ARG A 133 23.210 20.089 9.308 1.00 0.00 C ATOM 1219 NH1 ARG A 133 24.467 19.708 9.494 1.00 0.00 N ATOM 1220 NH2 ARG A 133 22.900 21.378 9.340 1.00 0.00 N ATOM 0 H ARG A 133 21.853 14.039 7.829 1.00 0.00 H new ATOM 0 HA ARG A 133 19.396 14.289 9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.251 16.287 9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.680 15.330 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 133 21.803 16.595 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.613 17.690 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 133 22.609 17.357 10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 133 23.470 17.563 8.540 1.00 0.00 H new ATOM 0 HE ARG A 133 21.308 19.508 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 133 24.709 18.717 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 133 25.192 20.406 9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 133 21.935 21.674 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 133 23.627 22.073 9.508 1.00 0.00 H new ATOM 1234 N LEU A 134 19.537 15.854 6.193 1.00 0.00 N ATOM 1235 CA LEU A 134 18.745 16.563 5.194 1.00 0.00 C ATOM 1236 C LEU A 134 17.361 15.939 5.052 1.00 0.00 C ATOM 1237 O LEU A 134 16.353 16.643 5.021 1.00 0.00 O ATOM 1238 CB LEU A 134 19.463 16.551 3.843 1.00 0.00 C ATOM 1239 CG LEU A 134 19.330 17.820 3.000 1.00 0.00 C ATOM 1240 CD1 LEU A 134 17.876 18.058 2.622 1.00 0.00 C ATOM 1241 CD2 LEU A 134 19.892 19.019 3.749 1.00 0.00 C ATOM 0 H LEU A 134 20.459 15.561 5.870 1.00 0.00 H new ATOM 0 HA LEU A 134 18.626 17.594 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.523 16.365 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 134 19.085 15.711 3.261 1.00 0.00 H new ATOM 0 HG LEU A 134 19.906 17.688 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 134 17.800 18.965 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 134 17.506 17.210 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.278 18.170 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 134 19.789 19.913 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 134 19.344 19.155 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 134 20.946 18.849 3.969 1.00 0.00 H new ATOM 1253 N GLU A 135 17.321 14.612 4.970 1.00 0.00 N ATOM 1254 CA GLU A 135 16.059 13.894 4.833 1.00 0.00 C ATOM 1255 C GLU A 135 15.792 13.026 6.060 1.00 0.00 C ATOM 1256 O GLU A 135 14.641 12.755 6.401 1.00 0.00 O ATOM 1257 CB GLU A 135 16.075 13.025 3.574 1.00 0.00 C ATOM 1258 CG GLU A 135 17.118 11.920 3.610 1.00 0.00 C ATOM 1259 CD GLU A 135 16.590 10.640 4.226 1.00 0.00 C ATOM 1260 OE1 GLU A 135 15.588 10.102 3.709 1.00 0.00 O ATOM 1261 OE2 GLU A 135 17.177 10.175 5.226 1.00 0.00 O ATOM 0 H GLU A 135 18.147 14.014 4.996 1.00 0.00 H new ATOM 0 HA GLU A 135 15.259 14.629 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.090 12.579 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.260 13.659 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 135 17.461 11.716 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.984 12.261 4.177 1.00 0.00 H new TER 1268 GLU A 135