USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 782 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 97 THR OG1 : rot 64:sc= 1.65 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -167:sc= 0.447 (180deg=0) USER MOD Set 2.1: A 71 SER OG : rot 74:sc= 2.21 USER MOD Set 2.2: A 86 THR OG1 : rot 28:sc= 0.34 USER MOD Set 3.1: A 74 ASN : amide:sc= 0.615 X(o=1.2,f=0.79) USER MOD Set 3.2: A 89 SER OG : rot 180:sc= 0.568 USER MOD Set 4.1: A 73 TYR OH : rot 10:sc= 1.25 USER MOD Set 4.2: A 83 THR OG1 : rot 140:sc= 1.06 USER MOD Set 5.1: A 62 GLN : amide:sc= 0.656 K(o=1.2,f=0.55) USER MOD Set 5.2: A 64 TYR OH : rot 180:sc= 0.59 USER MOD Set 6.1: A 57 ASN : amide:sc= 0.951 K(o=3.6,f=1.4) USER MOD Set 6.2: A 72 GLN : amide:sc= 1.67 K(o=3.6,f=0.59) USER MOD Set 6.3: A 87 SER OG : rot 78:sc= 0.966 USER MOD Set 7.1: A 41 SER OG : rot 76:sc= 2.34 USER MOD Set 7.2: A 43 TYR OH : rot 33:sc= 0.498 USER MOD Set 7.3: A 53 THR OG1 : rot 92:sc= 1.02 USER MOD Set 8.1: A 24 ASN : amide:sc= 0.701 X(o=0.7,f=0.34) USER MOD Set 8.2: A 26 TYR OH : rot 30:sc= 0 USER MOD Set 9.1: A 14 ASN : amide:sc= 1.05 K(o=2.9,f=0.75) USER MOD Set 9.2: A 29 ASN : amide:sc= 1.9 K(o=2.9,f=-0.22) USER MOD Set10.1: A 12 THR OG1 : rot -73:sc= 1.51 USER MOD Set10.2: A 15 SER OG : rot 87:sc= 1.85 USER MOD Set11.1: A 7 THR OG1 : rot 145:sc= 1.1 USER MOD Set11.2: A 23 THR OG1 : rot 180:sc= 0.938 USER MOD Single : A 6 ASN : amide:sc= 0.8 K(o=0.8,f=-9.4!) USER MOD Single : A 8 ASN : amide:sc=-0.000925 X(o=-0.00092,f=-0.00092) USER MOD Single : A 9 SER OG : rot 80:sc= 0.297 USER MOD Single : A 10 GLN : amide:sc=-0.00224 K(o=-0.0022,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.703 USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.938) USER MOD Single : A 20 SER OG : rot 75:sc= 1.4 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 82:sc= 1.89 USER MOD Single : A 31 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.67) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 98:sc= 1.31 USER MOD Single : A 39 THR OG1 : rot 86:sc= 0.981 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.564 K(o=0.56,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.21) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 69:sc= 1.76 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 0.891 (180deg=0.651) USER MOD Single : A 61 SER OG : rot 64:sc= 1.71 USER MOD Single : A 66 THR OG1 : rot 56:sc= 1.45 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -108:sc= 0.954 USER MOD Single : A 81 SER OG : rot 57:sc= 1.66 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00476 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 11.255 -2.291 -1.401 1.00 0.00 N ATOM 47 CA VAL A 5 11.844 -1.247 -2.218 1.00 0.00 C ATOM 48 C VAL A 5 13.340 -1.593 -2.233 1.00 0.00 C ATOM 49 O VAL A 5 14.133 -1.079 -1.441 1.00 0.00 O ATOM 50 CB VAL A 5 11.515 0.150 -1.635 1.00 0.00 C ATOM 51 CG1 VAL A 5 12.066 1.273 -2.527 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.997 0.352 -1.486 1.00 0.00 C ATOM 0 HA VAL A 5 11.455 -1.200 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 5 11.989 0.195 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.818 2.240 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.149 1.177 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.623 1.200 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.800 1.342 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.521 0.264 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.593 -0.406 -0.815 1.00 0.00 H new ATOM 62 N ASN A 6 13.699 -2.580 -3.056 1.00 0.00 N ATOM 63 CA ASN A 6 15.080 -2.987 -3.278 1.00 0.00 C ATOM 64 C ASN A 6 15.729 -1.908 -4.143 1.00 0.00 C ATOM 65 O ASN A 6 15.519 -1.878 -5.359 1.00 0.00 O ATOM 66 CB ASN A 6 15.121 -4.379 -3.939 1.00 0.00 C ATOM 67 CG ASN A 6 16.545 -4.882 -4.175 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.485 -4.116 -4.337 1.00 0.00 O ATOM 69 ND2 ASN A 6 16.754 -6.187 -4.181 1.00 0.00 N ATOM 0 H ASN A 6 13.025 -3.125 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 6 15.631 -3.079 -2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.589 -5.091 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.592 -4.339 -4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.696 -6.552 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.973 -6.829 -4.046 1.00 0.00 H new ATOM 76 N THR A 7 16.462 -0.989 -3.518 1.00 0.00 N ATOM 77 CA THR A 7 17.198 0.057 -4.211 1.00 0.00 C ATOM 78 C THR A 7 18.323 -0.593 -5.031 1.00 0.00 C ATOM 79 O THR A 7 18.388 -0.406 -6.248 1.00 0.00 O ATOM 80 CB THR A 7 17.744 1.059 -3.174 1.00 0.00 C ATOM 81 OG1 THR A 7 16.766 1.402 -2.214 1.00 0.00 O ATOM 82 CG2 THR A 7 18.256 2.342 -3.834 1.00 0.00 C ATOM 0 H THR A 7 16.560 -0.953 -2.503 1.00 0.00 H new ATOM 0 HA THR A 7 16.552 0.605 -4.896 1.00 0.00 H new ATOM 0 HB THR A 7 18.575 0.556 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.195 1.537 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.632 3.020 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.060 2.098 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.441 2.822 -4.376 1.00 0.00 H new ATOM 90 N ASN A 8 19.183 -1.379 -4.368 1.00 0.00 N ATOM 91 CA ASN A 8 20.264 -2.164 -4.962 1.00 0.00 C ATOM 92 C ASN A 8 20.826 -3.089 -3.878 1.00 0.00 C ATOM 93 O ASN A 8 21.796 -2.737 -3.211 1.00 0.00 O ATOM 94 CB ASN A 8 21.379 -1.265 -5.543 1.00 0.00 C ATOM 95 CG ASN A 8 22.546 -2.094 -6.081 1.00 0.00 C ATOM 96 OD1 ASN A 8 23.677 -1.987 -5.615 1.00 0.00 O ATOM 97 ND2 ASN A 8 22.309 -2.929 -7.082 1.00 0.00 N ATOM 0 H ASN A 8 19.138 -1.487 -3.355 1.00 0.00 H new ATOM 0 HA ASN A 8 19.870 -2.745 -5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 8 20.970 -0.648 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.740 -0.586 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 8 23.069 -3.488 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 8 21.367 -3.013 -7.464 1.00 0.00 H new ATOM 104 N SER A 9 20.173 -4.221 -3.639 1.00 0.00 N ATOM 105 CA SER A 9 20.488 -5.170 -2.575 1.00 0.00 C ATOM 106 C SER A 9 20.214 -6.599 -3.043 1.00 0.00 C ATOM 107 O SER A 9 19.561 -6.812 -4.071 1.00 0.00 O ATOM 108 CB SER A 9 19.621 -4.859 -1.351 1.00 0.00 C ATOM 109 OG SER A 9 19.884 -3.547 -0.896 1.00 0.00 O ATOM 0 H SER A 9 19.377 -4.515 -4.204 1.00 0.00 H new ATOM 0 HA SER A 9 21.543 -5.080 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.566 -4.960 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.827 -5.577 -0.557 1.00 0.00 H new ATOM 0 HG SER A 9 19.399 -2.904 -1.454 1.00 0.00 H new ATOM 115 N GLN A 10 20.675 -7.578 -2.265 1.00 0.00 N ATOM 116 CA GLN A 10 20.562 -8.994 -2.554 1.00 0.00 C ATOM 117 C GLN A 10 19.803 -9.655 -1.408 1.00 0.00 C ATOM 118 O GLN A 10 20.098 -9.429 -0.234 1.00 0.00 O ATOM 119 CB GLN A 10 21.983 -9.549 -2.769 1.00 0.00 C ATOM 120 CG GLN A 10 22.220 -11.010 -2.367 1.00 0.00 C ATOM 121 CD GLN A 10 21.446 -12.045 -3.195 1.00 0.00 C ATOM 122 OE1 GLN A 10 20.586 -11.720 -4.009 1.00 0.00 O ATOM 123 NE2 GLN A 10 21.734 -13.322 -3.003 1.00 0.00 N ATOM 0 H GLN A 10 21.155 -7.392 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 10 19.998 -9.199 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.234 -9.441 -3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.680 -8.925 -2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.285 -11.225 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.950 -11.131 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.449 -13.587 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.241 -14.041 -3.532 1.00 0.00 H new ATOM 132 N ILE A 11 18.848 -10.503 -1.775 1.00 0.00 N ATOM 133 CA ILE A 11 17.964 -11.242 -0.882 1.00 0.00 C ATOM 134 C ILE A 11 18.032 -12.689 -1.373 1.00 0.00 C ATOM 135 O ILE A 11 17.744 -12.963 -2.542 1.00 0.00 O ATOM 136 CB ILE A 11 16.532 -10.653 -0.942 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.467 -9.154 -0.554 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.554 -11.430 -0.039 1.00 0.00 C ATOM 139 CD1 ILE A 11 15.422 -8.412 -1.387 1.00 0.00 C ATOM 0 H ILE A 11 18.660 -10.704 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 11 18.258 -11.178 0.166 1.00 0.00 H new ATOM 0 HB ILE A 11 16.236 -10.752 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 11 16.226 -9.060 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.445 -8.695 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.562 -10.985 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.509 -12.470 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.899 -11.385 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.400 -7.363 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.679 -8.486 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.441 -8.857 -1.220 1.00 0.00 H new ATOM 151 N THR A 12 18.481 -13.595 -0.505 1.00 0.00 N ATOM 152 CA THR A 12 18.687 -14.998 -0.866 1.00 0.00 C ATOM 153 C THR A 12 17.349 -15.719 -1.098 1.00 0.00 C ATOM 154 O THR A 12 16.285 -15.242 -0.693 1.00 0.00 O ATOM 155 CB THR A 12 19.559 -15.701 0.191 1.00 0.00 C ATOM 156 OG1 THR A 12 19.142 -15.357 1.494 1.00 0.00 O ATOM 157 CG2 THR A 12 21.034 -15.319 0.059 1.00 0.00 C ATOM 0 H THR A 12 18.712 -13.379 0.465 1.00 0.00 H new ATOM 0 HA THR A 12 19.225 -15.038 -1.813 1.00 0.00 H new ATOM 0 HB THR A 12 19.443 -16.771 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.408 -14.434 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.614 -15.837 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.397 -15.605 -0.928 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.144 -14.242 0.188 1.00 0.00 H new ATOM 165 N ALA A 13 17.408 -16.898 -1.728 1.00 0.00 N ATOM 166 CA ALA A 13 16.248 -17.668 -2.176 1.00 0.00 C ATOM 167 C ALA A 13 15.249 -18.010 -1.063 1.00 0.00 C ATOM 168 O ALA A 13 14.066 -18.196 -1.355 1.00 0.00 O ATOM 169 CB ALA A 13 16.746 -18.967 -2.813 1.00 0.00 C ATOM 0 H ALA A 13 18.294 -17.355 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 13 15.709 -17.039 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.894 -19.555 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.388 -18.733 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.311 -19.539 -2.078 1.00 0.00 H new ATOM 175 N ASN A 14 15.706 -18.105 0.193 1.00 0.00 N ATOM 176 CA ASN A 14 14.869 -18.497 1.335 1.00 0.00 C ATOM 177 C ASN A 14 14.686 -17.352 2.340 1.00 0.00 C ATOM 178 O ASN A 14 14.034 -17.522 3.371 1.00 0.00 O ATOM 179 CB ASN A 14 15.433 -19.758 2.005 1.00 0.00 C ATOM 180 CG ASN A 14 14.393 -20.420 2.911 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.315 -20.798 2.461 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.685 -20.599 4.187 1.00 0.00 N ATOM 0 H ASN A 14 16.675 -17.910 0.447 1.00 0.00 H new ATOM 0 HA ASN A 14 13.875 -18.730 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.755 -20.465 1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.315 -19.498 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.013 -21.054 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.582 -20.282 4.554 1.00 0.00 H new ATOM 189 N SER A 15 15.263 -16.183 2.055 1.00 0.00 N ATOM 190 CA SER A 15 14.991 -14.962 2.796 1.00 0.00 C ATOM 191 C SER A 15 13.609 -14.421 2.415 1.00 0.00 C ATOM 192 O SER A 15 12.962 -14.931 1.492 1.00 0.00 O ATOM 193 CB SER A 15 16.074 -13.945 2.460 1.00 0.00 C ATOM 194 OG SER A 15 17.271 -14.342 3.083 1.00 0.00 O ATOM 0 H SER A 15 15.936 -16.062 1.298 1.00 0.00 H new ATOM 0 HA SER A 15 14.995 -15.160 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.212 -13.882 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.780 -12.953 2.802 1.00 0.00 H new ATOM 0 HG SER A 15 17.755 -14.961 2.498 1.00 0.00 H new ATOM 200 N GLN A 16 13.166 -13.359 3.090 1.00 0.00 N ATOM 201 CA GLN A 16 11.955 -12.642 2.736 1.00 0.00 C ATOM 202 C GLN A 16 12.215 -11.159 2.977 1.00 0.00 C ATOM 203 O GLN A 16 12.912 -10.801 3.931 1.00 0.00 O ATOM 204 CB GLN A 16 10.777 -13.172 3.576 1.00 0.00 C ATOM 205 CG GLN A 16 9.442 -13.001 2.838 1.00 0.00 C ATOM 206 CD GLN A 16 8.220 -13.386 3.681 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.245 -13.396 4.910 1.00 0.00 O ATOM 208 NE2 GLN A 16 7.114 -13.720 3.038 1.00 0.00 N ATOM 0 H GLN A 16 13.647 -12.975 3.903 1.00 0.00 H new ATOM 0 HA GLN A 16 11.689 -12.791 1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.936 -14.226 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.739 -12.642 4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.342 -11.963 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.456 -13.610 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.095 -13.711 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.280 -13.986 3.562 1.00 0.00 H new ATOM 217 N CYS A 17 11.659 -10.298 2.127 1.00 0.00 N ATOM 218 CA CYS A 17 11.786 -8.855 2.259 1.00 0.00 C ATOM 219 C CYS A 17 10.419 -8.259 1.933 1.00 0.00 C ATOM 220 O CYS A 17 10.037 -8.235 0.765 1.00 0.00 O ATOM 221 CB CYS A 17 12.900 -8.365 1.323 1.00 0.00 C ATOM 222 SG CYS A 17 13.544 -6.720 1.706 1.00 0.00 S ATOM 0 H CYS A 17 11.104 -10.588 1.322 1.00 0.00 H new ATOM 0 HA CYS A 17 12.069 -8.544 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.723 -9.079 1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.521 -8.363 0.301 1.00 0.00 H new ATOM 0 HG CYS A 17 14.478 -6.411 0.856 1.00 0.00 H new ATOM 227 N VAL A 18 9.674 -7.773 2.927 1.00 0.00 N ATOM 228 CA VAL A 18 8.273 -7.390 2.750 1.00 0.00 C ATOM 229 C VAL A 18 8.078 -5.951 3.224 1.00 0.00 C ATOM 230 O VAL A 18 8.509 -5.597 4.325 1.00 0.00 O ATOM 231 CB VAL A 18 7.338 -8.379 3.489 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.896 -8.276 2.972 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.765 -9.849 3.334 1.00 0.00 C ATOM 0 H VAL A 18 10.024 -7.634 3.875 1.00 0.00 H new ATOM 0 HA VAL A 18 8.010 -7.438 1.693 1.00 0.00 H new ATOM 0 HB VAL A 18 7.404 -8.092 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.265 -8.983 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.524 -7.264 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.874 -8.508 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.068 -10.489 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.761 -10.120 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.769 -9.981 3.739 1.00 0.00 H new ATOM 243 N LYS A 19 7.413 -5.141 2.388 1.00 0.00 N ATOM 244 CA LYS A 19 7.057 -3.731 2.603 1.00 0.00 C ATOM 245 C LYS A 19 8.113 -2.924 3.369 1.00 0.00 C ATOM 246 O LYS A 19 7.772 -2.153 4.261 1.00 0.00 O ATOM 247 CB LYS A 19 5.629 -3.594 3.180 1.00 0.00 C ATOM 248 CG LYS A 19 5.380 -4.344 4.500 1.00 0.00 C ATOM 249 CD LYS A 19 4.165 -3.771 5.246 1.00 0.00 C ATOM 250 CE LYS A 19 3.683 -4.735 6.342 1.00 0.00 C ATOM 251 NZ LYS A 19 2.828 -4.057 7.349 1.00 0.00 N ATOM 0 H LYS A 19 7.087 -5.477 1.482 1.00 0.00 H new ATOM 0 HA LYS A 19 7.047 -3.264 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.418 -2.536 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.918 -3.954 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.218 -5.402 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.265 -4.274 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.427 -2.811 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.356 -3.584 4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.125 -5.552 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.546 -5.178 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.200 -4.754 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.429 -3.616 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.255 -3.325 6.882 1.00 0.00 H new ATOM 265 N SER A 20 9.387 -3.104 3.030 1.00 0.00 N ATOM 266 CA SER A 20 10.531 -2.470 3.676 1.00 0.00 C ATOM 267 C SER A 20 11.483 -1.969 2.586 1.00 0.00 C ATOM 268 O SER A 20 11.260 -2.240 1.404 1.00 0.00 O ATOM 269 CB SER A 20 11.191 -3.490 4.614 1.00 0.00 C ATOM 270 OG SER A 20 10.281 -3.898 5.618 1.00 0.00 O ATOM 0 H SER A 20 9.661 -3.722 2.266 1.00 0.00 H new ATOM 0 HA SER A 20 10.234 -1.612 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.524 -4.356 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.077 -3.051 5.074 1.00 0.00 H new ATOM 0 HG SER A 20 9.617 -4.506 5.230 1.00 0.00 H new ATOM 276 N THR A 21 12.537 -1.244 2.949 1.00 0.00 N ATOM 277 CA THR A 21 13.486 -0.667 1.997 1.00 0.00 C ATOM 278 C THR A 21 14.836 -1.366 2.184 1.00 0.00 C ATOM 279 O THR A 21 15.194 -1.706 3.312 1.00 0.00 O ATOM 280 CB THR A 21 13.539 0.854 2.232 1.00 0.00 C ATOM 281 OG1 THR A 21 12.239 1.406 2.107 1.00 0.00 O ATOM 282 CG2 THR A 21 14.447 1.583 1.234 1.00 0.00 C ATOM 0 H THR A 21 12.760 -1.037 3.923 1.00 0.00 H new ATOM 0 HA THR A 21 13.187 -0.820 0.960 1.00 0.00 H new ATOM 0 HB THR A 21 13.943 0.992 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.278 2.373 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.443 2.651 1.451 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.464 1.199 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.081 1.417 0.221 1.00 0.00 H new ATOM 290 N ALA A 22 15.596 -1.589 1.109 1.00 0.00 N ATOM 291 CA ALA A 22 16.899 -2.235 1.194 1.00 0.00 C ATOM 292 C ALA A 22 17.866 -1.579 0.219 1.00 0.00 C ATOM 293 O ALA A 22 17.673 -1.669 -0.997 1.00 0.00 O ATOM 294 CB ALA A 22 16.755 -3.739 0.922 1.00 0.00 C ATOM 0 H ALA A 22 15.323 -1.327 0.162 1.00 0.00 H new ATOM 0 HA ALA A 22 17.304 -2.114 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.733 -4.216 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.086 -4.180 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.343 -3.891 -0.076 1.00 0.00 H new ATOM 300 N THR A 23 18.936 -0.986 0.745 1.00 0.00 N ATOM 301 CA THR A 23 19.933 -0.275 -0.051 1.00 0.00 C ATOM 302 C THR A 23 21.340 -0.779 0.290 1.00 0.00 C ATOM 303 O THR A 23 21.777 -0.677 1.437 1.00 0.00 O ATOM 304 CB THR A 23 19.770 1.238 0.192 1.00 0.00 C ATOM 305 OG1 THR A 23 18.419 1.625 -0.005 1.00 0.00 O ATOM 306 CG2 THR A 23 20.642 2.079 -0.744 1.00 0.00 C ATOM 0 H THR A 23 19.137 -0.986 1.745 1.00 0.00 H new ATOM 0 HA THR A 23 19.784 -0.466 -1.114 1.00 0.00 H new ATOM 0 HB THR A 23 20.083 1.419 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.328 2.588 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.489 3.137 -0.531 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.691 1.826 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.368 1.874 -1.779 1.00 0.00 H new ATOM 314 N ASN A 24 22.065 -1.279 -0.721 1.00 0.00 N ATOM 315 CA ASN A 24 23.387 -1.897 -0.618 1.00 0.00 C ATOM 316 C ASN A 24 23.427 -2.930 0.509 1.00 0.00 C ATOM 317 O ASN A 24 24.244 -2.827 1.427 1.00 0.00 O ATOM 318 CB ASN A 24 24.506 -0.838 -0.562 1.00 0.00 C ATOM 319 CG ASN A 24 25.860 -1.433 -0.959 1.00 0.00 C ATOM 320 OD1 ASN A 24 26.392 -1.130 -2.023 1.00 0.00 O ATOM 321 ND2 ASN A 24 26.441 -2.296 -0.144 1.00 0.00 N ATOM 0 H ASN A 24 21.723 -1.260 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 24 23.584 -2.460 -1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 24 24.261 -0.012 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.569 -0.426 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 24 27.336 -2.714 -0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 24 25.994 -2.544 0.739 1.00 0.00 H new ATOM 328 N CYS A 25 22.515 -3.902 0.479 1.00 0.00 N ATOM 329 CA CYS A 25 22.339 -4.844 1.570 1.00 0.00 C ATOM 330 C CYS A 25 22.405 -6.281 1.088 1.00 0.00 C ATOM 331 O CYS A 25 22.245 -6.566 -0.100 1.00 0.00 O ATOM 332 CB CYS A 25 21.015 -4.573 2.281 1.00 0.00 C ATOM 333 SG CYS A 25 21.119 -3.237 3.481 1.00 0.00 S ATOM 0 H CYS A 25 21.880 -4.053 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 25 23.159 -4.703 2.274 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.255 -4.329 1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.688 -5.482 2.786 1.00 0.00 H new ATOM 338 N TYR A 26 22.607 -7.180 2.049 1.00 0.00 N ATOM 339 CA TYR A 26 22.812 -8.598 1.827 1.00 0.00 C ATOM 340 C TYR A 26 21.991 -9.311 2.897 1.00 0.00 C ATOM 341 O TYR A 26 22.215 -9.091 4.090 1.00 0.00 O ATOM 342 CB TYR A 26 24.313 -8.925 1.934 1.00 0.00 C ATOM 343 CG TYR A 26 25.221 -7.956 1.189 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.477 -8.131 -0.184 1.00 0.00 C ATOM 345 CD2 TYR A 26 25.757 -6.839 1.864 1.00 0.00 C ATOM 346 CE1 TYR A 26 26.263 -7.197 -0.884 1.00 0.00 C ATOM 347 CE2 TYR A 26 26.538 -5.898 1.169 1.00 0.00 C ATOM 348 CZ TYR A 26 26.795 -6.071 -0.210 1.00 0.00 C ATOM 349 OH TYR A 26 27.550 -5.150 -0.872 1.00 0.00 O ATOM 0 H TYR A 26 22.632 -6.926 3.036 1.00 0.00 H new ATOM 0 HA TYR A 26 22.495 -8.918 0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.597 -8.934 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.482 -9.931 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.068 -8.986 -0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 26 25.567 -6.706 2.919 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.461 -7.339 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.942 -5.042 1.690 1.00 0.00 H new ATOM 0 HH TYR A 26 27.266 -5.107 -1.809 1.00 0.00 H new ATOM 359 N ILE A 27 21.014 -10.108 2.477 1.00 0.00 N ATOM 360 CA ILE A 27 20.014 -10.711 3.343 1.00 0.00 C ATOM 361 C ILE A 27 20.129 -12.221 3.098 1.00 0.00 C ATOM 362 O ILE A 27 19.750 -12.720 2.034 1.00 0.00 O ATOM 363 CB ILE A 27 18.626 -10.076 3.046 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.559 -8.564 3.393 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.498 -10.768 3.822 1.00 0.00 C ATOM 366 CD1 ILE A 27 18.850 -7.620 2.222 1.00 0.00 C ATOM 0 H ILE A 27 20.895 -10.358 1.495 1.00 0.00 H new ATOM 0 HA ILE A 27 20.160 -10.530 4.408 1.00 0.00 H new ATOM 0 HB ILE A 27 18.493 -10.209 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 27 17.567 -8.339 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.271 -8.358 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.547 -10.292 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.457 -11.821 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.688 -10.684 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 27 18.780 -6.587 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 27 19.854 -7.810 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 27 18.124 -7.791 1.428 1.00 0.00 H new ATOM 378 N ASP A 28 20.714 -12.935 4.063 1.00 0.00 N ATOM 379 CA ASP A 28 21.041 -14.357 4.004 1.00 0.00 C ATOM 380 C ASP A 28 20.146 -15.100 4.991 1.00 0.00 C ATOM 381 O ASP A 28 20.216 -14.836 6.189 1.00 0.00 O ATOM 382 CB ASP A 28 22.518 -14.580 4.343 1.00 0.00 C ATOM 383 CG ASP A 28 22.817 -16.076 4.535 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.602 -16.863 3.587 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.299 -16.470 5.621 1.00 0.00 O ATOM 0 H ASP A 28 20.985 -12.513 4.951 1.00 0.00 H new ATOM 0 HA ASP A 28 20.871 -14.735 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.143 -14.180 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 28 22.773 -14.034 5.252 1.00 0.00 H new ATOM 390 N ASN A 29 19.291 -15.998 4.495 1.00 0.00 N ATOM 391 CA ASN A 29 18.234 -16.698 5.240 1.00 0.00 C ATOM 392 C ASN A 29 17.487 -15.816 6.262 1.00 0.00 C ATOM 393 O ASN A 29 17.114 -16.285 7.340 1.00 0.00 O ATOM 394 CB ASN A 29 18.798 -17.979 5.887 1.00 0.00 C ATOM 395 CG ASN A 29 17.678 -18.973 6.187 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.000 -19.426 5.270 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.450 -19.367 7.429 1.00 0.00 N ATOM 0 H ASN A 29 19.316 -16.273 3.513 1.00 0.00 H new ATOM 0 HA ASN A 29 17.472 -16.973 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.528 -18.437 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.322 -17.726 6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.713 -20.045 7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.011 -18.993 8.194 1.00 0.00 H new ATOM 404 N SER A 30 17.273 -14.536 5.951 1.00 0.00 N ATOM 405 CA SER A 30 16.786 -13.533 6.890 1.00 0.00 C ATOM 406 C SER A 30 15.458 -12.927 6.432 1.00 0.00 C ATOM 407 O SER A 30 15.073 -13.040 5.268 1.00 0.00 O ATOM 408 CB SER A 30 17.867 -12.462 7.070 1.00 0.00 C ATOM 409 OG SER A 30 19.005 -12.997 7.709 1.00 0.00 O ATOM 0 H SER A 30 17.439 -14.163 5.016 1.00 0.00 H new ATOM 0 HA SER A 30 16.586 -14.007 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.148 -12.056 6.098 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.470 -11.635 7.658 1.00 0.00 H new ATOM 0 HG SER A 30 19.561 -13.464 7.051 1.00 0.00 H new ATOM 415 N GLN A 31 14.733 -12.305 7.362 1.00 0.00 N ATOM 416 CA GLN A 31 13.370 -11.836 7.166 1.00 0.00 C ATOM 417 C GLN A 31 13.311 -10.357 7.543 1.00 0.00 C ATOM 418 O GLN A 31 13.270 -10.022 8.733 1.00 0.00 O ATOM 419 CB GLN A 31 12.385 -12.691 7.987 1.00 0.00 C ATOM 420 CG GLN A 31 12.371 -14.179 7.585 1.00 0.00 C ATOM 421 CD GLN A 31 13.548 -14.994 8.139 1.00 0.00 C ATOM 422 OE1 GLN A 31 13.866 -14.941 9.324 1.00 0.00 O ATOM 423 NE2 GLN A 31 14.229 -15.753 7.295 1.00 0.00 N ATOM 0 H GLN A 31 15.092 -12.110 8.297 1.00 0.00 H new ATOM 0 HA GLN A 31 13.074 -11.940 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.642 -12.612 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.381 -12.283 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.439 -14.628 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.375 -14.250 6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.959 -15.792 6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.024 -16.299 7.627 1.00 0.00 H new ATOM 432 N LEU A 32 13.340 -9.482 6.536 1.00 0.00 N ATOM 433 CA LEU A 32 13.183 -8.036 6.705 1.00 0.00 C ATOM 434 C LEU A 32 11.714 -7.702 6.459 1.00 0.00 C ATOM 435 O LEU A 32 11.201 -8.017 5.384 1.00 0.00 O ATOM 436 CB LEU A 32 14.086 -7.290 5.702 1.00 0.00 C ATOM 437 CG LEU A 32 14.051 -5.756 5.876 1.00 0.00 C ATOM 438 CD1 LEU A 32 14.582 -5.355 7.253 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.880 -5.056 4.792 1.00 0.00 C ATOM 0 H LEU A 32 13.475 -9.763 5.565 1.00 0.00 H new ATOM 0 HA LEU A 32 13.475 -7.727 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.112 -7.639 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.776 -7.541 4.688 1.00 0.00 H new ATOM 0 HG LEU A 32 13.011 -5.442 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.548 -4.270 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.965 -5.811 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.611 -5.698 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.836 -3.977 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.916 -5.389 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.478 -5.304 3.810 1.00 0.00 H new ATOM 451 N VAL A 33 11.020 -7.099 7.425 1.00 0.00 N ATOM 452 CA VAL A 33 9.569 -6.944 7.349 1.00 0.00 C ATOM 453 C VAL A 33 9.091 -5.616 7.950 1.00 0.00 C ATOM 454 O VAL A 33 9.769 -5.000 8.777 1.00 0.00 O ATOM 455 CB VAL A 33 8.873 -8.159 8.019 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.005 -9.450 7.195 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.390 -8.453 9.435 1.00 0.00 C ATOM 0 H VAL A 33 11.441 -6.710 8.269 1.00 0.00 H new ATOM 0 HA VAL A 33 9.289 -6.916 6.296 1.00 0.00 H new ATOM 0 HB VAL A 33 7.826 -7.860 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.499 -10.265 7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.550 -9.304 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.060 -9.697 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.861 -9.314 9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.458 -8.669 9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.219 -7.585 10.072 1.00 0.00 H new ATOM 467 N ASP A 34 7.869 -5.241 7.555 1.00 0.00 N ATOM 468 CA ASP A 34 7.050 -4.154 8.089 1.00 0.00 C ATOM 469 C ASP A 34 7.776 -2.816 8.217 1.00 0.00 C ATOM 470 O ASP A 34 8.145 -2.402 9.310 1.00 0.00 O ATOM 471 CB ASP A 34 6.357 -4.575 9.392 1.00 0.00 C ATOM 472 CG ASP A 34 5.413 -3.472 9.899 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.673 -2.893 9.069 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.350 -3.254 11.131 1.00 0.00 O ATOM 0 H ASP A 34 7.393 -5.729 6.796 1.00 0.00 H new ATOM 0 HA ASP A 34 6.280 -3.967 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.793 -5.493 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.107 -4.794 10.152 1.00 0.00 H new ATOM 479 N THR A 35 7.942 -2.112 7.100 1.00 0.00 N ATOM 480 CA THR A 35 8.506 -0.776 7.011 1.00 0.00 C ATOM 481 C THR A 35 9.863 -0.629 7.717 1.00 0.00 C ATOM 482 O THR A 35 10.161 0.399 8.335 1.00 0.00 O ATOM 483 CB THR A 35 7.439 0.268 7.384 1.00 0.00 C ATOM 484 OG1 THR A 35 6.122 -0.136 7.032 1.00 0.00 O ATOM 485 CG2 THR A 35 7.713 1.576 6.635 1.00 0.00 C ATOM 0 H THR A 35 7.672 -2.481 6.188 1.00 0.00 H new ATOM 0 HA THR A 35 8.776 -0.578 5.974 1.00 0.00 H new ATOM 0 HB THR A 35 7.499 0.388 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.485 0.562 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.956 2.313 6.901 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.698 1.953 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.680 1.394 5.561 1.00 0.00 H new ATOM 493 N SER A 36 10.695 -1.667 7.644 1.00 0.00 N ATOM 494 CA SER A 36 12.080 -1.568 8.056 1.00 0.00 C ATOM 495 C SER A 36 12.867 -0.883 6.934 1.00 0.00 C ATOM 496 O SER A 36 12.369 -0.704 5.815 1.00 0.00 O ATOM 497 CB SER A 36 12.644 -2.965 8.297 1.00 0.00 C ATOM 498 OG SER A 36 12.007 -3.602 9.379 1.00 0.00 O ATOM 0 H SER A 36 10.424 -2.588 7.300 1.00 0.00 H new ATOM 0 HA SER A 36 12.158 -0.992 8.978 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.522 -3.567 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.714 -2.897 8.493 1.00 0.00 H new ATOM 0 HG SER A 36 11.310 -4.202 9.041 1.00 0.00 H new ATOM 504 N ILE A 37 14.123 -0.546 7.206 1.00 0.00 N ATOM 505 CA ILE A 37 15.054 -0.097 6.185 1.00 0.00 C ATOM 506 C ILE A 37 16.431 -0.679 6.473 1.00 0.00 C ATOM 507 O ILE A 37 16.920 -0.587 7.600 1.00 0.00 O ATOM 508 CB ILE A 37 15.051 1.437 6.026 1.00 0.00 C ATOM 509 CG1 ILE A 37 16.025 1.862 4.903 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.330 2.206 7.319 1.00 0.00 C ATOM 511 CD1 ILE A 37 15.796 3.288 4.388 1.00 0.00 C ATOM 0 H ILE A 37 14.522 -0.578 8.144 1.00 0.00 H new ATOM 0 HA ILE A 37 14.732 -0.471 5.213 1.00 0.00 H new ATOM 0 HB ILE A 37 14.033 1.709 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 37 17.047 1.779 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.929 1.166 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.309 3.277 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.568 1.962 8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.312 1.928 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 37 16.518 3.511 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.786 3.372 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 37 15.921 3.995 5.208 1.00 0.00 H new ATOM 523 N CYS A 38 17.047 -1.249 5.438 1.00 0.00 N ATOM 524 CA CYS A 38 18.390 -1.766 5.481 1.00 0.00 C ATOM 525 C CYS A 38 19.239 -0.792 4.685 1.00 0.00 C ATOM 526 O CYS A 38 18.874 -0.470 3.548 1.00 0.00 O ATOM 527 CB CYS A 38 18.406 -3.170 4.862 1.00 0.00 C ATOM 528 SG CYS A 38 20.003 -4.001 4.987 1.00 0.00 S ATOM 0 H CYS A 38 16.602 -1.361 4.527 1.00 0.00 H new ATOM 0 HA CYS A 38 18.775 -1.857 6.497 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.649 -3.782 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 38 18.126 -3.097 3.811 1.00 0.00 H new ATOM 533 N THR A 39 20.368 -0.360 5.244 1.00 0.00 N ATOM 534 CA THR A 39 21.289 0.518 4.538 1.00 0.00 C ATOM 535 C THR A 39 22.704 0.022 4.812 1.00 0.00 C ATOM 536 O THR A 39 23.128 -0.036 5.967 1.00 0.00 O ATOM 537 CB THR A 39 21.103 1.989 4.969 1.00 0.00 C ATOM 538 OG1 THR A 39 19.777 2.284 5.363 1.00 0.00 O ATOM 539 CG2 THR A 39 21.500 2.956 3.850 1.00 0.00 C ATOM 0 H THR A 39 20.665 -0.607 6.188 1.00 0.00 H new ATOM 0 HA THR A 39 21.090 0.491 3.467 1.00 0.00 H new ATOM 0 HB THR A 39 21.759 2.121 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 39 19.660 2.062 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.356 3.982 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 39 22.548 2.802 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.879 2.773 2.973 1.00 0.00 H new ATOM 547 N ARG A 40 23.441 -0.348 3.763 1.00 0.00 N ATOM 548 CA ARG A 40 24.848 -0.770 3.833 1.00 0.00 C ATOM 549 C ARG A 40 25.078 -1.883 4.867 1.00 0.00 C ATOM 550 O ARG A 40 26.143 -1.937 5.481 1.00 0.00 O ATOM 551 CB ARG A 40 25.758 0.460 4.053 1.00 0.00 C ATOM 552 CG ARG A 40 25.668 1.490 2.916 1.00 0.00 C ATOM 553 CD ARG A 40 26.578 2.688 3.209 1.00 0.00 C ATOM 554 NE ARG A 40 26.506 3.700 2.138 1.00 0.00 N ATOM 555 CZ ARG A 40 27.133 4.884 2.143 1.00 0.00 C ATOM 556 NH1 ARG A 40 27.901 5.242 3.170 1.00 0.00 N ATOM 557 NH2 ARG A 40 26.986 5.711 1.113 1.00 0.00 N ATOM 0 H ARG A 40 23.069 -0.364 2.814 1.00 0.00 H new ATOM 0 HA ARG A 40 25.120 -1.216 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.487 0.941 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.791 0.127 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 40 25.958 1.027 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 40 24.638 1.827 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 40 26.290 3.141 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.607 2.346 3.318 1.00 0.00 H new ATOM 0 HE ARG A 40 25.930 3.480 1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.017 4.612 3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 28.373 6.146 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 40 26.398 5.443 0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 40 27.461 6.614 1.112 1.00 0.00 H new ATOM 571 N SER A 41 24.090 -2.752 5.094 1.00 0.00 N ATOM 572 CA SER A 41 24.093 -3.710 6.193 1.00 0.00 C ATOM 573 C SER A 41 24.002 -5.152 5.697 1.00 0.00 C ATOM 574 O SER A 41 23.664 -5.422 4.541 1.00 0.00 O ATOM 575 CB SER A 41 22.937 -3.387 7.146 1.00 0.00 C ATOM 576 OG SER A 41 23.049 -2.083 7.699 1.00 0.00 O ATOM 0 H SER A 41 23.256 -2.808 4.510 1.00 0.00 H new ATOM 0 HA SER A 41 25.041 -3.622 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.991 -3.473 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.916 -4.121 7.951 1.00 0.00 H new ATOM 0 HG SER A 41 22.786 -1.419 7.028 1.00 0.00 H new ATOM 582 N GLN A 42 24.285 -6.086 6.603 1.00 0.00 N ATOM 583 CA GLN A 42 24.258 -7.521 6.357 1.00 0.00 C ATOM 584 C GLN A 42 23.369 -8.172 7.409 1.00 0.00 C ATOM 585 O GLN A 42 23.555 -7.911 8.600 1.00 0.00 O ATOM 586 CB GLN A 42 25.683 -8.076 6.435 1.00 0.00 C ATOM 587 CG GLN A 42 25.723 -9.561 6.040 1.00 0.00 C ATOM 588 CD GLN A 42 27.099 -9.949 5.507 1.00 0.00 C ATOM 589 OE1 GLN A 42 27.937 -10.501 6.216 1.00 0.00 O ATOM 590 NE2 GLN A 42 27.366 -9.646 4.246 1.00 0.00 N ATOM 0 H GLN A 42 24.548 -5.853 7.561 1.00 0.00 H new ATOM 0 HA GLN A 42 23.860 -7.734 5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.336 -7.504 5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.068 -7.956 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 42 25.477 -10.178 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 42 24.966 -9.760 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 42 26.659 -9.188 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 42 28.279 -9.871 3.850 1.00 0.00 H new ATOM 599 N TYR A 43 22.453 -9.041 6.987 1.00 0.00 N ATOM 600 CA TYR A 43 21.607 -9.834 7.869 1.00 0.00 C ATOM 601 C TYR A 43 21.851 -11.300 7.525 1.00 0.00 C ATOM 602 O TYR A 43 21.864 -11.650 6.341 1.00 0.00 O ATOM 603 CB TYR A 43 20.120 -9.489 7.676 1.00 0.00 C ATOM 604 CG TYR A 43 19.705 -8.023 7.729 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.405 -7.070 8.496 1.00 0.00 C ATOM 606 CD2 TYR A 43 18.576 -7.615 6.994 1.00 0.00 C ATOM 607 CE1 TYR A 43 20.002 -5.724 8.520 1.00 0.00 C ATOM 608 CE2 TYR A 43 18.158 -6.276 7.026 1.00 0.00 C ATOM 609 CZ TYR A 43 18.851 -5.326 7.807 1.00 0.00 C ATOM 610 OH TYR A 43 18.402 -4.044 7.854 1.00 0.00 O ATOM 0 H TYR A 43 22.276 -9.216 5.998 1.00 0.00 H new ATOM 0 HA TYR A 43 21.853 -9.624 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 43 19.809 -9.888 6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.553 -10.023 8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 43 21.264 -7.379 9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 43 18.030 -8.335 6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.571 -4.997 9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 43 17.299 -5.970 6.448 1.00 0.00 H new ATOM 0 HH TYR A 43 19.164 -3.434 7.943 1.00 0.00 H new ATOM 620 N SER A 44 22.021 -12.140 8.542 1.00 0.00 N ATOM 621 CA SER A 44 22.357 -13.544 8.407 1.00 0.00 C ATOM 622 C SER A 44 21.540 -14.331 9.432 1.00 0.00 C ATOM 623 O SER A 44 21.690 -14.134 10.639 1.00 0.00 O ATOM 624 CB SER A 44 23.864 -13.739 8.634 1.00 0.00 C ATOM 625 OG SER A 44 24.638 -12.956 7.734 1.00 0.00 O ATOM 0 H SER A 44 21.924 -11.846 9.514 1.00 0.00 H new ATOM 0 HA SER A 44 22.121 -13.903 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.115 -13.469 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.117 -14.792 8.510 1.00 0.00 H new ATOM 0 HG SER A 44 25.591 -13.104 7.908 1.00 0.00 H new ATOM 631 N ASP A 45 20.678 -15.225 8.945 1.00 0.00 N ATOM 632 CA ASP A 45 19.716 -16.020 9.709 1.00 0.00 C ATOM 633 C ASP A 45 18.980 -15.208 10.792 1.00 0.00 C ATOM 634 O ASP A 45 18.800 -15.671 11.921 1.00 0.00 O ATOM 635 CB ASP A 45 20.399 -17.291 10.241 1.00 0.00 C ATOM 636 CG ASP A 45 19.370 -18.323 10.728 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.440 -18.644 9.953 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.528 -18.879 11.839 1.00 0.00 O ATOM 0 H ASP A 45 20.630 -15.425 7.946 1.00 0.00 H new ATOM 0 HA ASP A 45 18.918 -16.332 9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.013 -17.731 9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.069 -17.029 11.060 1.00 0.00 H new ATOM 643 N ALA A 46 18.582 -13.973 10.466 1.00 0.00 N ATOM 644 CA ALA A 46 18.073 -12.980 11.408 1.00 0.00 C ATOM 645 C ALA A 46 16.718 -12.416 10.965 1.00 0.00 C ATOM 646 O ALA A 46 16.300 -12.589 9.819 1.00 0.00 O ATOM 647 CB ALA A 46 19.112 -11.856 11.520 1.00 0.00 C ATOM 0 H ALA A 46 18.608 -13.630 9.506 1.00 0.00 H new ATOM 0 HA ALA A 46 17.914 -13.453 12.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.756 -11.099 12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.055 -12.267 11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.264 -11.402 10.541 1.00 0.00 H new ATOM 653 N ASN A 47 16.044 -11.686 11.858 1.00 0.00 N ATOM 654 CA ASN A 47 14.774 -11.024 11.565 1.00 0.00 C ATOM 655 C ASN A 47 14.819 -9.586 12.052 1.00 0.00 C ATOM 656 O ASN A 47 15.333 -9.301 13.135 1.00 0.00 O ATOM 657 CB ASN A 47 13.597 -11.781 12.191 1.00 0.00 C ATOM 658 CG ASN A 47 12.313 -10.954 12.257 1.00 0.00 C ATOM 659 OD1 ASN A 47 11.800 -10.684 13.338 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.768 -10.524 11.131 1.00 0.00 N ATOM 0 H ASN A 47 16.369 -11.538 12.813 1.00 0.00 H new ATOM 0 HA ASN A 47 14.622 -11.024 10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.408 -12.687 11.614 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.871 -12.096 13.198 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.916 -9.964 11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.200 -10.752 10.236 1.00 0.00 H new ATOM 667 N VAL A 48 14.270 -8.691 11.240 1.00 0.00 N ATOM 668 CA VAL A 48 14.302 -7.252 11.442 1.00 0.00 C ATOM 669 C VAL A 48 12.892 -6.743 11.140 1.00 0.00 C ATOM 670 O VAL A 48 12.346 -7.052 10.077 1.00 0.00 O ATOM 671 CB VAL A 48 15.390 -6.647 10.527 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.479 -5.123 10.671 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.790 -7.230 10.793 1.00 0.00 C ATOM 0 H VAL A 48 13.772 -8.960 10.391 1.00 0.00 H new ATOM 0 HA VAL A 48 14.565 -6.961 12.459 1.00 0.00 H new ATOM 0 HB VAL A 48 15.080 -6.910 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.256 -4.740 10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.522 -4.676 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.722 -4.869 11.703 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.511 -6.766 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.077 -7.031 11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.774 -8.306 10.622 1.00 0.00 H new ATOM 683 N LYS A 49 12.293 -6.000 12.077 1.00 0.00 N ATOM 684 CA LYS A 49 10.880 -5.621 12.036 1.00 0.00 C ATOM 685 C LYS A 49 10.769 -4.147 12.402 1.00 0.00 C ATOM 686 O LYS A 49 11.233 -3.748 13.473 1.00 0.00 O ATOM 687 CB LYS A 49 10.119 -6.538 13.015 1.00 0.00 C ATOM 688 CG LYS A 49 8.587 -6.582 12.892 1.00 0.00 C ATOM 689 CD LYS A 49 7.832 -5.308 13.304 1.00 0.00 C ATOM 690 CE LYS A 49 6.339 -5.642 13.452 1.00 0.00 C ATOM 691 NZ LYS A 49 5.495 -4.435 13.619 1.00 0.00 N ATOM 0 H LYS A 49 12.784 -5.641 12.896 1.00 0.00 H new ATOM 0 HA LYS A 49 10.442 -5.746 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.497 -7.553 12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.367 -6.228 14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.334 -6.810 11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.219 -7.409 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.227 -4.923 14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.972 -4.528 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.006 -6.194 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.201 -6.298 14.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.503 -4.720 13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.813 -3.901 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.575 -3.835 12.773 1.00 0.00 H new ATOM 705 N LYS A 50 10.153 -3.352 11.525 1.00 0.00 N ATOM 706 CA LYS A 50 10.060 -1.891 11.582 1.00 0.00 C ATOM 707 C LYS A 50 11.313 -1.231 12.160 1.00 0.00 C ATOM 708 O LYS A 50 11.215 -0.401 13.063 1.00 0.00 O ATOM 709 CB LYS A 50 8.745 -1.493 12.284 1.00 0.00 C ATOM 710 CG LYS A 50 8.290 -0.063 11.948 1.00 0.00 C ATOM 711 CD LYS A 50 6.965 0.255 12.651 1.00 0.00 C ATOM 712 CE LYS A 50 6.543 1.700 12.347 1.00 0.00 C ATOM 713 NZ LYS A 50 5.246 2.053 12.977 1.00 0.00 N ATOM 0 H LYS A 50 9.677 -3.733 10.707 1.00 0.00 H new ATOM 0 HA LYS A 50 10.021 -1.497 10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.961 -2.194 11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.874 -1.583 13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.054 0.651 12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.172 0.044 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.191 -0.436 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.072 0.117 13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.314 2.384 12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.469 1.835 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.003 3.037 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.503 1.419 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.322 1.951 14.009 1.00 0.00 H new ATOM 727 N SER A 51 12.497 -1.609 11.680 1.00 0.00 N ATOM 728 CA SER A 51 13.762 -1.184 12.261 1.00 0.00 C ATOM 729 C SER A 51 14.619 -0.549 11.177 1.00 0.00 C ATOM 730 O SER A 51 14.403 -0.776 9.987 1.00 0.00 O ATOM 731 CB SER A 51 14.449 -2.383 12.913 1.00 0.00 C ATOM 732 OG SER A 51 13.719 -2.823 14.043 1.00 0.00 O ATOM 0 H SER A 51 12.602 -2.223 10.872 1.00 0.00 H new ATOM 0 HA SER A 51 13.599 -0.437 13.038 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.537 -3.195 12.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.462 -2.111 13.211 1.00 0.00 H new ATOM 0 HG SER A 51 12.868 -3.213 13.752 1.00 0.00 H new ATOM 738 N VAL A 52 15.583 0.261 11.586 1.00 0.00 N ATOM 739 CA VAL A 52 16.378 1.111 10.719 1.00 0.00 C ATOM 740 C VAL A 52 17.810 0.625 10.868 1.00 0.00 C ATOM 741 O VAL A 52 18.265 0.448 12.004 1.00 0.00 O ATOM 742 CB VAL A 52 16.205 2.579 11.181 1.00 0.00 C ATOM 743 CG1 VAL A 52 17.070 3.565 10.381 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.739 3.043 11.113 1.00 0.00 C ATOM 0 H VAL A 52 15.842 0.346 12.569 1.00 0.00 H new ATOM 0 HA VAL A 52 16.080 1.066 9.672 1.00 0.00 H new ATOM 0 HB VAL A 52 16.539 2.585 12.219 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.905 4.577 10.751 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.122 3.303 10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.798 3.515 9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.669 4.078 11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.381 2.968 10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.127 2.412 11.758 1.00 0.00 H new ATOM 754 N THR A 53 18.536 0.430 9.766 1.00 0.00 N ATOM 755 CA THR A 53 19.953 0.088 9.875 1.00 0.00 C ATOM 756 C THR A 53 20.781 0.988 8.974 1.00 0.00 C ATOM 757 O THR A 53 20.321 1.431 7.918 1.00 0.00 O ATOM 758 CB THR A 53 20.232 -1.419 9.688 1.00 0.00 C ATOM 759 OG1 THR A 53 20.314 -1.837 8.341 1.00 0.00 O ATOM 760 CG2 THR A 53 19.187 -2.312 10.349 1.00 0.00 C ATOM 0 H THR A 53 18.178 0.501 8.813 1.00 0.00 H new ATOM 0 HA THR A 53 20.269 0.282 10.900 1.00 0.00 H new ATOM 0 HB THR A 53 21.204 -1.533 10.168 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.246 -1.793 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.443 -3.358 10.180 1.00 0.00 H new ATOM 0 HG22 THR A 53 19.164 -2.113 11.420 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.207 -2.104 9.920 1.00 0.00 H new ATOM 768 N THR A 54 22.002 1.288 9.404 1.00 0.00 N ATOM 769 CA THR A 54 23.014 1.947 8.609 1.00 0.00 C ATOM 770 C THR A 54 24.350 1.351 9.057 1.00 0.00 C ATOM 771 O THR A 54 24.749 1.538 10.208 1.00 0.00 O ATOM 772 CB THR A 54 22.919 3.472 8.796 1.00 0.00 C ATOM 773 OG1 THR A 54 21.635 3.933 8.411 1.00 0.00 O ATOM 774 CG2 THR A 54 23.954 4.230 7.956 1.00 0.00 C ATOM 0 H THR A 54 22.318 1.069 10.349 1.00 0.00 H new ATOM 0 HA THR A 54 22.890 1.786 7.538 1.00 0.00 H new ATOM 0 HB THR A 54 23.109 3.664 9.852 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.585 4.904 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.845 5.301 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.957 3.918 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.797 4.010 6.900 1.00 0.00 H new ATOM 782 N ASP A 55 25.017 0.626 8.155 1.00 0.00 N ATOM 783 CA ASP A 55 26.250 -0.122 8.416 1.00 0.00 C ATOM 784 C ASP A 55 26.114 -1.032 9.641 1.00 0.00 C ATOM 785 O ASP A 55 26.656 -0.752 10.713 1.00 0.00 O ATOM 786 CB ASP A 55 27.472 0.805 8.472 1.00 0.00 C ATOM 787 CG ASP A 55 28.772 0.029 8.754 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.957 -1.090 8.222 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.655 0.567 9.462 1.00 0.00 O ATOM 0 H ASP A 55 24.702 0.541 7.189 1.00 0.00 H new ATOM 0 HA ASP A 55 26.422 -0.790 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.566 1.338 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.322 1.556 9.248 1.00 0.00 H new ATOM 794 N CYS A 56 25.341 -2.112 9.496 1.00 0.00 N ATOM 795 CA CYS A 56 25.004 -3.027 10.573 1.00 0.00 C ATOM 796 C CYS A 56 25.343 -4.453 10.140 1.00 0.00 C ATOM 797 O CYS A 56 25.337 -4.756 8.944 1.00 0.00 O ATOM 798 CB CYS A 56 23.516 -2.873 10.908 1.00 0.00 C ATOM 799 SG CYS A 56 22.993 -3.610 12.477 1.00 0.00 S ATOM 0 H CYS A 56 24.926 -2.374 8.602 1.00 0.00 H new ATOM 0 HA CYS A 56 25.580 -2.801 11.471 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.273 -1.811 10.926 1.00 0.00 H new ATOM 0 HB3 CYS A 56 22.932 -3.320 10.104 1.00 0.00 H new ATOM 804 N ASN A 57 25.598 -5.348 11.094 1.00 0.00 N ATOM 805 CA ASN A 57 25.888 -6.751 10.830 1.00 0.00 C ATOM 806 C ASN A 57 25.076 -7.528 11.847 1.00 0.00 C ATOM 807 O ASN A 57 25.331 -7.398 13.042 1.00 0.00 O ATOM 808 CB ASN A 57 27.388 -7.033 10.983 1.00 0.00 C ATOM 809 CG ASN A 57 27.701 -8.528 10.951 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.012 -9.316 10.310 1.00 0.00 O ATOM 811 ND2 ASN A 57 28.747 -8.950 11.642 1.00 0.00 N ATOM 0 H ASN A 57 25.608 -5.112 12.086 1.00 0.00 H new ATOM 0 HA ASN A 57 25.628 -7.036 9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 57 27.933 -6.532 10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.741 -6.610 11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.989 -9.941 11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 57 29.311 -8.285 12.170 1.00 0.00 H new ATOM 818 N ILE A 58 24.073 -8.267 11.391 1.00 0.00 N ATOM 819 CA ILE A 58 23.077 -8.888 12.251 1.00 0.00 C ATOM 820 C ILE A 58 23.156 -10.381 11.983 1.00 0.00 C ATOM 821 O ILE A 58 22.785 -10.827 10.899 1.00 0.00 O ATOM 822 CB ILE A 58 21.669 -8.296 11.985 1.00 0.00 C ATOM 823 CG1 ILE A 58 21.693 -6.751 12.054 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.644 -8.881 12.972 1.00 0.00 C ATOM 825 CD1 ILE A 58 20.321 -6.080 11.939 1.00 0.00 C ATOM 0 H ILE A 58 23.927 -8.454 10.399 1.00 0.00 H new ATOM 0 HA ILE A 58 23.270 -8.692 13.306 1.00 0.00 H new ATOM 0 HB ILE A 58 21.366 -8.575 10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.150 -6.451 12.997 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.333 -6.376 11.255 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.661 -8.455 12.771 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.601 -9.964 12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.943 -8.640 13.992 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.439 -4.998 11.998 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.866 -6.344 10.984 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.680 -6.420 12.753 1.00 0.00 H new ATOM 837 N ASP A 59 23.635 -11.153 12.955 1.00 0.00 N ATOM 838 CA ASP A 59 23.758 -12.600 12.841 1.00 0.00 C ATOM 839 C ASP A 59 22.877 -13.245 13.900 1.00 0.00 C ATOM 840 O ASP A 59 22.970 -12.889 15.076 1.00 0.00 O ATOM 841 CB ASP A 59 25.222 -13.021 13.005 1.00 0.00 C ATOM 842 CG ASP A 59 25.375 -14.542 12.886 1.00 0.00 C ATOM 843 OD1 ASP A 59 24.962 -15.119 11.854 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.942 -15.178 13.801 1.00 0.00 O ATOM 0 H ASP A 59 23.951 -10.786 13.852 1.00 0.00 H new ATOM 0 HA ASP A 59 23.431 -12.930 11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.832 -12.530 12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.593 -12.690 13.975 1.00 0.00 H new ATOM 849 N LYS A 60 22.014 -14.178 13.488 1.00 0.00 N ATOM 850 CA LYS A 60 21.187 -15.024 14.358 1.00 0.00 C ATOM 851 C LYS A 60 20.408 -14.229 15.419 1.00 0.00 C ATOM 852 O LYS A 60 20.241 -14.704 16.544 1.00 0.00 O ATOM 853 CB LYS A 60 22.054 -16.152 14.957 1.00 0.00 C ATOM 854 CG LYS A 60 22.677 -17.055 13.879 1.00 0.00 C ATOM 855 CD LYS A 60 23.722 -18.007 14.478 1.00 0.00 C ATOM 856 CE LYS A 60 24.571 -18.686 13.394 1.00 0.00 C ATOM 857 NZ LYS A 60 25.472 -17.732 12.701 1.00 0.00 N ATOM 0 H LYS A 60 21.865 -14.374 12.498 1.00 0.00 H new ATOM 0 HA LYS A 60 20.409 -15.480 13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.848 -15.713 15.561 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.443 -16.759 15.625 1.00 0.00 H new ATOM 0 HG2 LYS A 60 21.893 -17.634 13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.143 -16.438 13.111 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.373 -17.452 15.153 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.219 -18.768 15.074 1.00 0.00 H new ATOM 0 HE2 LYS A 60 25.165 -19.480 13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 60 23.913 -19.157 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 26.183 -18.260 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 24.916 -17.134 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 25.950 -17.133 13.404 1.00 0.00 H new ATOM 871 N SER A 61 19.939 -13.024 15.082 1.00 0.00 N ATOM 872 CA SER A 61 19.323 -12.101 16.032 1.00 0.00 C ATOM 873 C SER A 61 17.914 -11.706 15.583 1.00 0.00 C ATOM 874 O SER A 61 17.545 -11.897 14.421 1.00 0.00 O ATOM 875 CB SER A 61 20.220 -10.870 16.200 1.00 0.00 C ATOM 876 OG SER A 61 21.509 -11.228 16.662 1.00 0.00 O ATOM 0 H SER A 61 19.978 -12.660 14.130 1.00 0.00 H new ATOM 0 HA SER A 61 19.223 -12.598 16.997 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.306 -10.348 15.247 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.760 -10.176 16.903 1.00 0.00 H new ATOM 0 HG SER A 61 21.954 -11.787 15.991 1.00 0.00 H new ATOM 882 N GLN A 62 17.135 -11.126 16.498 1.00 0.00 N ATOM 883 CA GLN A 62 15.791 -10.617 16.234 1.00 0.00 C ATOM 884 C GLN A 62 15.757 -9.164 16.702 1.00 0.00 C ATOM 885 O GLN A 62 16.215 -8.854 17.805 1.00 0.00 O ATOM 886 CB GLN A 62 14.732 -11.471 16.946 1.00 0.00 C ATOM 887 CG GLN A 62 14.642 -12.904 16.394 1.00 0.00 C ATOM 888 CD GLN A 62 13.778 -13.819 17.267 1.00 0.00 C ATOM 889 OE1 GLN A 62 14.228 -14.867 17.723 1.00 0.00 O ATOM 890 NE2 GLN A 62 12.529 -13.466 17.530 1.00 0.00 N ATOM 0 H GLN A 62 17.430 -10.995 17.466 1.00 0.00 H new ATOM 0 HA GLN A 62 15.559 -10.670 15.170 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.962 -11.512 18.011 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.759 -10.989 16.849 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.230 -12.875 15.385 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.645 -13.323 16.317 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.155 -12.596 17.152 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.941 -14.064 18.111 1.00 0.00 H new ATOM 899 N VAL A 63 15.219 -8.283 15.863 1.00 0.00 N ATOM 900 CA VAL A 63 15.302 -6.839 16.027 1.00 0.00 C ATOM 901 C VAL A 63 13.920 -6.241 15.770 1.00 0.00 C ATOM 902 O VAL A 63 13.318 -6.529 14.731 1.00 0.00 O ATOM 903 CB VAL A 63 16.348 -6.314 15.017 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.560 -4.802 15.130 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.708 -7.015 15.153 1.00 0.00 C ATOM 0 H VAL A 63 14.701 -8.563 15.030 1.00 0.00 H new ATOM 0 HA VAL A 63 15.609 -6.558 17.034 1.00 0.00 H new ATOM 0 HB VAL A 63 15.931 -6.544 14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.304 -4.483 14.400 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.619 -4.287 14.938 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.909 -4.557 16.133 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.403 -6.606 14.419 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.102 -6.853 16.156 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.585 -8.084 14.980 1.00 0.00 H new ATOM 915 N TYR A 64 13.433 -5.396 16.685 1.00 0.00 N ATOM 916 CA TYR A 64 12.101 -4.799 16.598 1.00 0.00 C ATOM 917 C TYR A 64 12.183 -3.313 16.931 1.00 0.00 C ATOM 918 O TYR A 64 12.750 -2.957 17.962 1.00 0.00 O ATOM 919 CB TYR A 64 11.149 -5.500 17.582 1.00 0.00 C ATOM 920 CG TYR A 64 11.047 -7.005 17.411 1.00 0.00 C ATOM 921 CD1 TYR A 64 11.927 -7.855 18.110 1.00 0.00 C ATOM 922 CD2 TYR A 64 10.084 -7.555 16.544 1.00 0.00 C ATOM 923 CE1 TYR A 64 11.863 -9.246 17.925 1.00 0.00 C ATOM 924 CE2 TYR A 64 10.024 -8.944 16.339 1.00 0.00 C ATOM 925 CZ TYR A 64 10.922 -9.797 17.022 1.00 0.00 C ATOM 926 OH TYR A 64 10.887 -11.145 16.822 1.00 0.00 O ATOM 0 H TYR A 64 13.957 -5.107 17.511 1.00 0.00 H new ATOM 0 HA TYR A 64 11.719 -4.921 15.584 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.479 -5.286 18.599 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.154 -5.068 17.472 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.653 -7.436 18.790 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.388 -6.906 16.034 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.531 -9.895 18.471 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.293 -9.360 15.661 1.00 0.00 H new ATOM 0 HH TYR A 64 10.184 -11.361 16.174 1.00 0.00 H new ATOM 936 N LEU A 65 11.585 -2.441 16.112 1.00 0.00 N ATOM 937 CA LEU A 65 11.483 -0.992 16.339 1.00 0.00 C ATOM 938 C LEU A 65 12.817 -0.361 16.796 1.00 0.00 C ATOM 939 O LEU A 65 12.834 0.537 17.639 1.00 0.00 O ATOM 940 CB LEU A 65 10.289 -0.671 17.271 1.00 0.00 C ATOM 941 CG LEU A 65 8.896 -0.787 16.615 1.00 0.00 C ATOM 942 CD1 LEU A 65 8.465 -2.229 16.304 1.00 0.00 C ATOM 943 CD2 LEU A 65 7.845 -0.163 17.542 1.00 0.00 C ATOM 0 H LEU A 65 11.142 -2.734 15.241 1.00 0.00 H new ATOM 0 HA LEU A 65 11.275 -0.515 15.381 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.327 -1.343 18.128 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.410 0.342 17.654 1.00 0.00 H new ATOM 0 HG LEU A 65 8.969 -0.261 15.663 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.476 -2.222 15.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.180 -2.683 15.618 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.432 -2.806 17.228 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.860 -0.243 17.082 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.843 -0.689 18.497 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.084 0.888 17.707 1.00 0.00 H new ATOM 955 N THR A 66 13.944 -0.831 16.257 1.00 0.00 N ATOM 956 CA THR A 66 15.286 -0.503 16.731 1.00 0.00 C ATOM 957 C THR A 66 16.089 0.201 15.626 1.00 0.00 C ATOM 958 O THR A 66 15.753 0.102 14.443 1.00 0.00 O ATOM 959 CB THR A 66 15.904 -1.816 17.257 1.00 0.00 C ATOM 960 OG1 THR A 66 15.270 -2.156 18.477 1.00 0.00 O ATOM 961 CG2 THR A 66 17.412 -1.835 17.513 1.00 0.00 C ATOM 0 H THR A 66 13.946 -1.466 15.459 1.00 0.00 H new ATOM 0 HA THR A 66 15.281 0.216 17.550 1.00 0.00 H new ATOM 0 HB THR A 66 15.741 -2.523 16.444 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.302 -2.214 18.337 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.707 -2.819 17.879 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.941 -1.620 16.585 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.664 -1.080 18.258 1.00 0.00 H new ATOM 969 N THR A 67 17.147 0.922 16.004 1.00 0.00 N ATOM 970 CA THR A 67 17.976 1.714 15.104 1.00 0.00 C ATOM 971 C THR A 67 19.439 1.295 15.296 1.00 0.00 C ATOM 972 O THR A 67 20.052 1.613 16.318 1.00 0.00 O ATOM 973 CB THR A 67 17.730 3.212 15.368 1.00 0.00 C ATOM 974 OG1 THR A 67 16.350 3.516 15.237 1.00 0.00 O ATOM 975 CG2 THR A 67 18.499 4.109 14.392 1.00 0.00 C ATOM 0 H THR A 67 17.456 0.970 16.975 1.00 0.00 H new ATOM 0 HA THR A 67 17.719 1.536 14.060 1.00 0.00 H new ATOM 0 HB THR A 67 18.080 3.406 16.382 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.207 4.470 15.409 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.293 5.155 14.619 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.568 3.921 14.490 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.184 3.890 13.372 1.00 0.00 H new ATOM 983 N CYS A 68 19.987 0.562 14.322 1.00 0.00 N ATOM 984 CA CYS A 68 21.367 0.096 14.326 1.00 0.00 C ATOM 985 C CYS A 68 22.217 1.065 13.503 1.00 0.00 C ATOM 986 O CYS A 68 21.948 1.242 12.312 1.00 0.00 O ATOM 987 CB CYS A 68 21.440 -1.302 13.699 1.00 0.00 C ATOM 988 SG CYS A 68 23.079 -2.069 13.795 1.00 0.00 S ATOM 0 H CYS A 68 19.468 0.273 13.493 1.00 0.00 H new ATOM 0 HA CYS A 68 21.738 0.051 15.350 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.718 -1.950 14.196 1.00 0.00 H new ATOM 0 HB3 CYS A 68 21.142 -1.236 12.653 1.00 0.00 H new ATOM 993 N THR A 69 23.263 1.639 14.095 1.00 0.00 N ATOM 994 CA THR A 69 24.165 2.561 13.416 1.00 0.00 C ATOM 995 C THR A 69 25.596 2.128 13.734 1.00 0.00 C ATOM 996 O THR A 69 25.992 2.143 14.901 1.00 0.00 O ATOM 997 CB THR A 69 23.876 4.002 13.882 1.00 0.00 C ATOM 998 OG1 THR A 69 22.488 4.288 13.849 1.00 0.00 O ATOM 999 CG2 THR A 69 24.589 5.032 13.000 1.00 0.00 C ATOM 0 H THR A 69 23.509 1.473 15.071 1.00 0.00 H new ATOM 0 HA THR A 69 24.021 2.540 12.336 1.00 0.00 H new ATOM 0 HB THR A 69 24.246 4.071 14.905 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.336 5.208 14.151 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.363 6.036 13.358 1.00 0.00 H new ATOM 0 HG22 THR A 69 25.665 4.865 13.043 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.247 4.928 11.970 1.00 0.00 H new ATOM 1007 N GLY A 70 26.370 1.714 12.726 1.00 0.00 N ATOM 1008 CA GLY A 70 27.761 1.296 12.906 1.00 0.00 C ATOM 1009 C GLY A 70 27.904 0.277 14.039 1.00 0.00 C ATOM 1010 O GLY A 70 28.787 0.413 14.882 1.00 0.00 O ATOM 0 H GLY A 70 26.047 1.660 11.760 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.134 0.863 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.378 2.168 13.121 1.00 0.00 H new ATOM 1014 N SER A 71 26.991 -0.688 14.119 1.00 0.00 N ATOM 1015 CA SER A 71 26.849 -1.598 15.246 1.00 0.00 C ATOM 1016 C SER A 71 26.661 -3.022 14.724 1.00 0.00 C ATOM 1017 O SER A 71 26.455 -3.229 13.527 1.00 0.00 O ATOM 1018 CB SER A 71 25.674 -1.115 16.110 1.00 0.00 C ATOM 1019 OG SER A 71 26.018 0.092 16.767 1.00 0.00 O ATOM 0 H SER A 71 26.311 -0.861 13.378 1.00 0.00 H new ATOM 0 HA SER A 71 27.742 -1.607 15.871 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.793 -0.961 15.487 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.415 -1.877 16.845 1.00 0.00 H new ATOM 0 HG SER A 71 26.015 0.829 16.121 1.00 0.00 H new ATOM 1025 N GLN A 72 26.760 -4.021 15.598 1.00 0.00 N ATOM 1026 CA GLN A 72 26.650 -5.420 15.207 1.00 0.00 C ATOM 1027 C GLN A 72 25.815 -6.138 16.252 1.00 0.00 C ATOM 1028 O GLN A 72 25.935 -5.829 17.437 1.00 0.00 O ATOM 1029 CB GLN A 72 28.029 -6.095 15.083 1.00 0.00 C ATOM 1030 CG GLN A 72 29.058 -5.314 14.254 1.00 0.00 C ATOM 1031 CD GLN A 72 30.288 -6.175 13.974 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.303 -6.973 13.040 1.00 0.00 O ATOM 1033 NE2 GLN A 72 31.330 -6.058 14.781 1.00 0.00 N ATOM 0 H GLN A 72 26.919 -3.881 16.596 1.00 0.00 H new ATOM 0 HA GLN A 72 26.179 -5.475 14.226 1.00 0.00 H new ATOM 0 HB2 GLN A 72 28.433 -6.250 16.084 1.00 0.00 H new ATOM 0 HB3 GLN A 72 27.896 -7.080 14.636 1.00 0.00 H new ATOM 0 HG2 GLN A 72 28.609 -4.995 13.313 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.353 -4.411 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 72 31.305 -5.392 15.553 1.00 0.00 H new ATOM 0 HE22 GLN A 72 32.158 -6.634 14.631 1.00 0.00 H new ATOM 1042 N TYR A 73 25.021 -7.116 15.829 1.00 0.00 N ATOM 1043 CA TYR A 73 24.135 -7.883 16.686 1.00 0.00 C ATOM 1044 C TYR A 73 24.451 -9.341 16.397 1.00 0.00 C ATOM 1045 O TYR A 73 24.427 -9.744 15.236 1.00 0.00 O ATOM 1046 CB TYR A 73 22.675 -7.571 16.323 1.00 0.00 C ATOM 1047 CG TYR A 73 22.161 -6.147 16.490 1.00 0.00 C ATOM 1048 CD1 TYR A 73 22.742 -5.225 17.385 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.040 -5.756 15.734 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.240 -3.916 17.482 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.510 -4.461 15.848 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.117 -3.528 16.716 1.00 0.00 C ATOM 1053 OH TYR A 73 20.617 -2.268 16.795 1.00 0.00 O ATOM 0 H TYR A 73 24.978 -7.402 14.851 1.00 0.00 H new ATOM 0 HA TYR A 73 24.272 -7.646 17.741 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.527 -7.854 15.281 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.040 -8.223 16.923 1.00 0.00 H new ATOM 0 HD1 TYR A 73 23.577 -5.527 17.999 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.581 -6.462 15.057 1.00 0.00 H new ATOM 0 HE1 TYR A 73 22.713 -3.205 18.143 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.640 -4.179 15.273 1.00 0.00 H new ATOM 0 HH TYR A 73 21.233 -1.703 17.307 1.00 0.00 H new ATOM 1063 N ASN A 74 24.796 -10.126 17.413 1.00 0.00 N ATOM 1064 CA ASN A 74 25.262 -11.497 17.240 1.00 0.00 C ATOM 1065 C ASN A 74 24.594 -12.395 18.283 1.00 0.00 C ATOM 1066 O ASN A 74 25.019 -12.430 19.438 1.00 0.00 O ATOM 1067 CB ASN A 74 26.796 -11.510 17.366 1.00 0.00 C ATOM 1068 CG ASN A 74 27.357 -12.902 17.642 1.00 0.00 C ATOM 1069 OD1 ASN A 74 26.968 -13.887 17.024 1.00 0.00 O ATOM 1070 ND2 ASN A 74 28.287 -13.005 18.578 1.00 0.00 N ATOM 0 H ASN A 74 24.760 -9.826 18.387 1.00 0.00 H new ATOM 0 HA ASN A 74 24.994 -11.881 16.256 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.234 -11.123 16.446 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.095 -10.837 18.170 1.00 0.00 H new ATOM 0 HD21 ASN A 74 28.693 -13.915 18.796 1.00 0.00 H new ATOM 0 HD22 ASN A 74 28.598 -12.174 19.082 1.00 0.00 H new ATOM 1077 N GLY A 75 23.542 -13.113 17.892 1.00 0.00 N ATOM 1078 CA GLY A 75 22.800 -13.993 18.782 1.00 0.00 C ATOM 1079 C GLY A 75 22.046 -13.219 19.866 1.00 0.00 C ATOM 1080 O GLY A 75 22.160 -13.578 21.042 1.00 0.00 O ATOM 0 H GLY A 75 23.181 -13.097 16.938 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.092 -14.582 18.200 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.488 -14.695 19.252 1.00 0.00 H new ATOM 1084 N ILE A 76 21.320 -12.152 19.507 1.00 0.00 N ATOM 1085 CA ILE A 76 20.639 -11.285 20.475 1.00 0.00 C ATOM 1086 C ILE A 76 19.159 -11.096 20.127 1.00 0.00 C ATOM 1087 O ILE A 76 18.724 -11.336 18.998 1.00 0.00 O ATOM 1088 CB ILE A 76 21.375 -9.927 20.646 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.968 -8.859 19.607 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.910 -10.092 20.670 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.621 -7.490 19.840 1.00 0.00 C ATOM 0 H ILE A 76 21.189 -11.866 18.537 1.00 0.00 H new ATOM 0 HA ILE A 76 20.674 -11.790 21.440 1.00 0.00 H new ATOM 0 HB ILE A 76 21.049 -9.560 21.619 1.00 0.00 H new ATOM 0 HG12 ILE A 76 21.234 -9.214 18.611 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.884 -8.742 19.625 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.379 -9.116 20.791 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.194 -10.737 21.502 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.242 -10.540 19.734 1.00 0.00 H new ATOM 0 HD11 ILE A 76 21.288 -6.792 19.072 1.00 0.00 H new ATOM 0 HD12 ILE A 76 21.334 -7.113 20.822 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.705 -7.591 19.793 1.00 0.00 H new ATOM 1103 N TYR A 77 18.405 -10.566 21.085 1.00 0.00 N ATOM 1104 CA TYR A 77 17.039 -10.106 20.912 1.00 0.00 C ATOM 1105 C TYR A 77 17.047 -8.646 21.362 1.00 0.00 C ATOM 1106 O TYR A 77 17.533 -8.352 22.456 1.00 0.00 O ATOM 1107 CB TYR A 77 16.086 -10.968 21.758 1.00 0.00 C ATOM 1108 CG TYR A 77 16.357 -12.467 21.718 1.00 0.00 C ATOM 1109 CD1 TYR A 77 16.207 -13.188 20.518 1.00 0.00 C ATOM 1110 CD2 TYR A 77 16.799 -13.133 22.877 1.00 0.00 C ATOM 1111 CE1 TYR A 77 16.495 -14.563 20.472 1.00 0.00 C ATOM 1112 CE2 TYR A 77 17.088 -14.508 22.843 1.00 0.00 C ATOM 1113 CZ TYR A 77 16.937 -15.232 21.637 1.00 0.00 C ATOM 1114 OH TYR A 77 17.224 -16.565 21.613 1.00 0.00 O ATOM 0 H TYR A 77 18.746 -10.442 22.038 1.00 0.00 H new ATOM 0 HA TYR A 77 16.690 -10.190 19.883 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.142 -10.633 22.794 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.065 -10.791 21.420 1.00 0.00 H new ATOM 0 HD1 TYR A 77 15.868 -12.681 19.627 1.00 0.00 H new ATOM 0 HD2 TYR A 77 16.917 -12.583 23.799 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.379 -15.109 19.547 1.00 0.00 H new ATOM 0 HE2 TYR A 77 17.425 -15.012 23.737 1.00 0.00 H new ATOM 0 HH TYR A 77 17.514 -16.853 22.504 1.00 0.00 H new ATOM 1124 N ILE A 78 16.560 -7.721 20.536 1.00 0.00 N ATOM 1125 CA ILE A 78 16.605 -6.296 20.856 1.00 0.00 C ATOM 1126 C ILE A 78 15.313 -5.627 20.392 1.00 0.00 C ATOM 1127 O ILE A 78 14.859 -5.857 19.264 1.00 0.00 O ATOM 1128 CB ILE A 78 17.906 -5.657 20.306 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.959 -4.152 20.650 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.118 -5.899 18.800 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.352 -3.533 20.470 1.00 0.00 C ATOM 0 H ILE A 78 16.128 -7.935 19.637 1.00 0.00 H new ATOM 0 HA ILE A 78 16.651 -6.142 21.934 1.00 0.00 H new ATOM 0 HB ILE A 78 18.735 -6.160 20.804 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.248 -3.618 20.020 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.638 -4.011 21.682 1.00 0.00 H new ATOM 0 HG21 ILE A 78 19.047 -5.425 18.482 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.174 -6.971 18.608 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.284 -5.473 18.242 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.316 -2.475 20.729 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.063 -4.042 21.121 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.667 -3.642 19.432 1.00 0.00 H new ATOM 1143 N ARG A 79 14.716 -4.797 21.259 1.00 0.00 N ATOM 1144 CA ARG A 79 13.513 -4.046 20.906 1.00 0.00 C ATOM 1145 C ARG A 79 13.585 -2.584 21.326 1.00 0.00 C ATOM 1146 O ARG A 79 14.143 -2.253 22.378 1.00 0.00 O ATOM 1147 CB ARG A 79 12.237 -4.725 21.435 1.00 0.00 C ATOM 1148 CG ARG A 79 12.179 -4.868 22.967 1.00 0.00 C ATOM 1149 CD ARG A 79 10.746 -4.864 23.509 1.00 0.00 C ATOM 1150 NE ARG A 79 10.127 -3.532 23.365 1.00 0.00 N ATOM 1151 CZ ARG A 79 9.099 -3.046 24.069 1.00 0.00 C ATOM 1152 NH1 ARG A 79 8.494 -3.777 25.002 1.00 0.00 N ATOM 1153 NH2 ARG A 79 8.693 -1.808 23.816 1.00 0.00 N ATOM 0 H ARG A 79 15.050 -4.632 22.209 1.00 0.00 H new ATOM 0 HA ARG A 79 13.461 -4.052 19.817 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.371 -4.152 21.103 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.155 -5.715 20.987 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.671 -5.796 23.260 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.738 -4.052 23.425 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.150 -5.605 22.976 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.750 -5.155 24.560 1.00 0.00 H new ATOM 0 HE ARG A 79 10.525 -2.918 22.654 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.813 -4.727 25.192 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.712 -3.387 25.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.163 -1.254 23.100 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.911 -1.411 24.337 1.00 0.00 H new ATOM 1167 N SER A 80 12.938 -1.723 20.544 1.00 0.00 N ATOM 1168 CA SER A 80 12.696 -0.320 20.861 1.00 0.00 C ATOM 1169 C SER A 80 13.976 0.448 21.247 1.00 0.00 C ATOM 1170 O SER A 80 13.901 1.383 22.047 1.00 0.00 O ATOM 1171 CB SER A 80 11.615 -0.259 21.950 1.00 0.00 C ATOM 1172 OG SER A 80 10.530 -1.142 21.676 1.00 0.00 O ATOM 0 H SER A 80 12.554 -1.995 19.639 1.00 0.00 H new ATOM 0 HA SER A 80 12.343 0.192 19.965 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.056 -0.515 22.913 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.240 0.761 22.032 1.00 0.00 H new ATOM 0 HG SER A 80 9.743 -0.621 21.413 1.00 0.00 H new ATOM 1178 N SER A 81 15.144 0.066 20.717 1.00 0.00 N ATOM 1179 CA SER A 81 16.438 0.565 21.179 1.00 0.00 C ATOM 1180 C SER A 81 17.245 1.239 20.061 1.00 0.00 C ATOM 1181 O SER A 81 16.867 1.197 18.890 1.00 0.00 O ATOM 1182 CB SER A 81 17.203 -0.610 21.804 1.00 0.00 C ATOM 1183 OG SER A 81 16.523 -1.104 22.947 1.00 0.00 O ATOM 0 H SER A 81 15.215 -0.603 19.950 1.00 0.00 H new ATOM 0 HA SER A 81 16.276 1.345 21.923 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.316 -1.408 21.070 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.207 -0.289 22.083 1.00 0.00 H new ATOM 0 HG SER A 81 15.615 -1.373 22.696 1.00 0.00 H new ATOM 1189 N THR A 82 18.373 1.856 20.411 1.00 0.00 N ATOM 1190 CA THR A 82 19.288 2.493 19.471 1.00 0.00 C ATOM 1191 C THR A 82 20.715 2.125 19.880 1.00 0.00 C ATOM 1192 O THR A 82 21.039 2.133 21.070 1.00 0.00 O ATOM 1193 CB THR A 82 19.055 4.018 19.479 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.716 4.322 19.132 1.00 0.00 O ATOM 1195 CG2 THR A 82 19.967 4.764 18.498 1.00 0.00 C ATOM 0 H THR A 82 18.681 1.927 21.381 1.00 0.00 H new ATOM 0 HA THR A 82 19.116 2.147 18.452 1.00 0.00 H new ATOM 0 HB THR A 82 19.282 4.345 20.493 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.587 5.293 19.144 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.758 5.833 18.548 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.009 4.586 18.763 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.783 4.405 17.485 1.00 0.00 H new ATOM 1203 N THR A 83 21.572 1.810 18.912 1.00 0.00 N ATOM 1204 CA THR A 83 22.930 1.347 19.154 1.00 0.00 C ATOM 1205 C THR A 83 23.843 2.060 18.153 1.00 0.00 C ATOM 1206 O THR A 83 23.534 2.089 16.956 1.00 0.00 O ATOM 1207 CB THR A 83 22.965 -0.190 19.044 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.458 -0.611 17.797 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.125 -0.875 20.130 1.00 0.00 C ATOM 0 H THR A 83 21.335 1.871 17.922 1.00 0.00 H new ATOM 0 HA THR A 83 23.283 1.587 20.157 1.00 0.00 H new ATOM 0 HB THR A 83 24.011 -0.474 19.162 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.000 -1.353 17.457 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.184 -1.956 20.007 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.507 -0.600 21.113 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.087 -0.556 20.042 1.00 0.00 H new ATOM 1217 N THR A 84 24.933 2.657 18.638 1.00 0.00 N ATOM 1218 CA THR A 84 25.810 3.523 17.867 1.00 0.00 C ATOM 1219 C THR A 84 27.265 3.147 18.172 1.00 0.00 C ATOM 1220 O THR A 84 27.743 3.370 19.288 1.00 0.00 O ATOM 1221 CB THR A 84 25.503 4.997 18.196 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.109 5.259 18.189 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.160 5.940 17.180 1.00 0.00 C ATOM 0 H THR A 84 25.234 2.545 19.606 1.00 0.00 H new ATOM 0 HA THR A 84 25.644 3.392 16.798 1.00 0.00 H new ATOM 0 HB THR A 84 25.905 5.175 19.193 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.952 6.202 18.403 1.00 0.00 H new ATOM 0 HG21 THR A 84 25.926 6.973 17.438 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.241 5.798 17.197 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.781 5.720 16.182 1.00 0.00 H new ATOM 1231 N GLY A 85 27.996 2.598 17.195 1.00 0.00 N ATOM 1232 CA GLY A 85 29.384 2.189 17.405 1.00 0.00 C ATOM 1233 C GLY A 85 29.465 1.047 18.417 1.00 0.00 C ATOM 1234 O GLY A 85 30.298 1.100 19.324 1.00 0.00 O ATOM 0 H GLY A 85 27.647 2.428 16.252 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.822 1.874 16.458 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.968 3.038 17.760 1.00 0.00 H new ATOM 1238 N THR A 86 28.588 0.045 18.312 1.00 0.00 N ATOM 1239 CA THR A 86 28.418 -0.967 19.348 1.00 0.00 C ATOM 1240 C THR A 86 28.231 -2.373 18.777 1.00 0.00 C ATOM 1241 O THR A 86 27.176 -2.707 18.241 1.00 0.00 O ATOM 1242 CB THR A 86 27.237 -0.566 20.261 1.00 0.00 C ATOM 1243 OG1 THR A 86 26.243 0.193 19.602 1.00 0.00 O ATOM 1244 CG2 THR A 86 27.698 0.296 21.425 1.00 0.00 C ATOM 0 H THR A 86 27.978 -0.084 17.505 1.00 0.00 H new ATOM 0 HA THR A 86 29.335 -1.007 19.936 1.00 0.00 H new ATOM 0 HB THR A 86 26.825 -1.520 20.590 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.232 -0.039 18.650 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.841 0.559 22.045 1.00 0.00 H new ATOM 0 HG22 THR A 86 28.423 -0.257 22.023 1.00 0.00 H new ATOM 0 HG23 THR A 86 28.162 1.206 21.043 1.00 0.00 H new ATOM 1252 N SER A 87 29.258 -3.214 18.879 1.00 0.00 N ATOM 1253 CA SER A 87 29.133 -4.635 18.595 1.00 0.00 C ATOM 1254 C SER A 87 28.568 -5.291 19.862 1.00 0.00 C ATOM 1255 O SER A 87 29.051 -5.003 20.964 1.00 0.00 O ATOM 1256 CB SER A 87 30.505 -5.204 18.223 1.00 0.00 C ATOM 1257 OG SER A 87 31.087 -4.445 17.175 1.00 0.00 O ATOM 0 H SER A 87 30.196 -2.927 19.160 1.00 0.00 H new ATOM 0 HA SER A 87 28.468 -4.828 17.753 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.159 -5.193 19.095 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.403 -6.244 17.914 1.00 0.00 H new ATOM 0 HG SER A 87 31.453 -3.612 17.539 1.00 0.00 H new ATOM 1263 N ILE A 88 27.554 -6.146 19.720 1.00 0.00 N ATOM 1264 CA ILE A 88 26.777 -6.723 20.812 1.00 0.00 C ATOM 1265 C ILE A 88 26.590 -8.209 20.492 1.00 0.00 C ATOM 1266 O ILE A 88 26.228 -8.567 19.367 1.00 0.00 O ATOM 1267 CB ILE A 88 25.406 -6.008 20.952 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.540 -4.466 20.944 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.667 -6.502 22.212 1.00 0.00 C ATOM 1270 CD1 ILE A 88 24.252 -3.694 21.245 1.00 0.00 C ATOM 0 H ILE A 88 27.241 -6.467 18.804 1.00 0.00 H new ATOM 0 HA ILE A 88 27.295 -6.598 21.763 1.00 0.00 H new ATOM 0 HB ILE A 88 24.811 -6.269 20.077 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.295 -4.180 21.676 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.910 -4.155 19.967 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.708 -5.991 22.295 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.500 -7.577 22.138 1.00 0.00 H new ATOM 0 HG23 ILE A 88 25.270 -6.288 23.095 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.454 -2.623 21.215 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.497 -3.942 20.499 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.887 -3.967 22.235 1.00 0.00 H new ATOM 1282 N SER A 89 26.788 -9.058 21.496 1.00 0.00 N ATOM 1283 CA SER A 89 26.770 -10.505 21.390 1.00 0.00 C ATOM 1284 C SER A 89 25.932 -11.117 22.520 1.00 0.00 C ATOM 1285 O SER A 89 25.589 -10.433 23.491 1.00 0.00 O ATOM 1286 CB SER A 89 28.213 -11.026 21.430 1.00 0.00 C ATOM 1287 OG SER A 89 28.917 -10.637 20.260 1.00 0.00 O ATOM 0 H SER A 89 26.973 -8.737 22.446 1.00 0.00 H new ATOM 0 HA SER A 89 26.311 -10.797 20.446 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.721 -10.638 22.313 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.211 -12.113 21.515 1.00 0.00 H new ATOM 0 HG SER A 89 29.835 -10.976 20.303 1.00 0.00 H new ATOM 1321 N CYS A 93 21.463 -12.705 25.014 1.00 0.00 N ATOM 1322 CA CYS A 93 21.318 -11.266 25.086 1.00 0.00 C ATOM 1323 C CYS A 93 19.897 -10.838 24.763 1.00 0.00 C ATOM 1324 O CYS A 93 19.338 -11.224 23.734 1.00 0.00 O ATOM 1325 CB CYS A 93 22.309 -10.626 24.120 1.00 0.00 C ATOM 1326 SG CYS A 93 22.282 -8.819 24.029 1.00 0.00 S ATOM 0 HA CYS A 93 21.529 -10.934 26.103 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.314 -10.940 24.402 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.120 -11.022 23.122 1.00 0.00 H new ATOM 1331 N SER A 94 19.379 -9.961 25.611 1.00 0.00 N ATOM 1332 CA SER A 94 18.068 -9.365 25.547 1.00 0.00 C ATOM 1333 C SER A 94 18.263 -7.890 25.887 1.00 0.00 C ATOM 1334 O SER A 94 18.854 -7.575 26.923 1.00 0.00 O ATOM 1335 CB SER A 94 17.180 -10.063 26.580 1.00 0.00 C ATOM 1336 OG SER A 94 16.919 -11.405 26.201 1.00 0.00 O ATOM 0 H SER A 94 19.909 -9.629 26.417 1.00 0.00 H new ATOM 0 HA SER A 94 17.594 -9.466 24.571 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.667 -10.045 27.555 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.240 -9.521 26.683 1.00 0.00 H new ATOM 0 HG SER A 94 16.351 -11.831 26.877 1.00 0.00 H new ATOM 1342 N ILE A 95 17.796 -6.989 25.021 1.00 0.00 N ATOM 1343 CA ILE A 95 17.916 -5.545 25.198 1.00 0.00 C ATOM 1344 C ILE A 95 16.545 -4.943 24.902 1.00 0.00 C ATOM 1345 O ILE A 95 15.851 -5.369 23.971 1.00 0.00 O ATOM 1346 CB ILE A 95 19.039 -4.961 24.300 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.391 -5.627 24.643 1.00 0.00 C ATOM 1348 CG2 ILE A 95 19.122 -3.424 24.424 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.624 -5.048 23.940 1.00 0.00 C ATOM 0 H ILE A 95 17.315 -7.250 24.161 1.00 0.00 H new ATOM 0 HA ILE A 95 18.209 -5.296 26.218 1.00 0.00 H new ATOM 0 HB ILE A 95 18.797 -5.183 23.261 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.545 -5.557 25.720 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.323 -6.687 24.399 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.919 -3.050 23.782 1.00 0.00 H new ATOM 0 HG22 ILE A 95 18.173 -2.983 24.120 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.333 -3.153 25.459 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.513 -5.593 24.257 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.506 -5.143 22.861 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.731 -3.995 24.202 1.00 0.00 H new ATOM 1361 N SER A 96 16.128 -3.956 25.689 1.00 0.00 N ATOM 1362 CA SER A 96 14.867 -3.273 25.468 1.00 0.00 C ATOM 1363 C SER A 96 14.974 -1.808 25.868 1.00 0.00 C ATOM 1364 O SER A 96 15.609 -1.486 26.879 1.00 0.00 O ATOM 1365 CB SER A 96 13.743 -3.974 26.242 1.00 0.00 C ATOM 1366 OG SER A 96 13.666 -5.350 25.907 1.00 0.00 O ATOM 0 H SER A 96 16.654 -3.612 26.492 1.00 0.00 H new ATOM 0 HA SER A 96 14.628 -3.313 24.405 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.915 -3.868 27.313 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.791 -3.490 26.022 1.00 0.00 H new ATOM 0 HG SER A 96 12.942 -5.771 26.416 1.00 0.00 H new ATOM 1372 N THR A 97 14.306 -0.959 25.080 1.00 0.00 N ATOM 1373 CA THR A 97 14.071 0.459 25.353 1.00 0.00 C ATOM 1374 C THR A 97 15.337 1.217 25.805 1.00 0.00 C ATOM 1375 O THR A 97 15.274 2.091 26.673 1.00 0.00 O ATOM 1376 CB THR A 97 12.825 0.625 26.261 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.791 -0.296 27.335 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.530 0.382 25.483 1.00 0.00 C ATOM 0 H THR A 97 13.897 -1.257 24.195 1.00 0.00 H new ATOM 0 HA THR A 97 13.831 0.961 24.416 1.00 0.00 H new ATOM 0 HB THR A 97 12.899 1.646 26.634 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.548 -0.127 27.935 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.676 0.506 26.149 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.458 1.097 24.664 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.532 -0.631 25.081 1.00 0.00 H new ATOM 1386 N CYS A 98 16.496 0.894 25.218 1.00 0.00 N ATOM 1387 CA CYS A 98 17.797 1.401 25.641 1.00 0.00 C ATOM 1388 C CYS A 98 18.461 2.185 24.505 1.00 0.00 C ATOM 1389 O CYS A 98 18.166 1.965 23.330 1.00 0.00 O ATOM 1390 CB CYS A 98 18.678 0.213 26.060 1.00 0.00 C ATOM 1391 SG CYS A 98 20.180 0.702 26.947 1.00 0.00 S ATOM 0 H CYS A 98 16.551 0.260 24.421 1.00 0.00 H new ATOM 0 HA CYS A 98 17.669 2.078 26.486 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.094 -0.456 26.692 1.00 0.00 H new ATOM 0 HB3 CYS A 98 18.959 -0.352 25.171 1.00 0.00 H new ATOM 1396 N THR A 99 19.410 3.054 24.840 1.00 0.00 N ATOM 1397 CA THR A 99 20.280 3.711 23.879 1.00 0.00 C ATOM 1398 C THR A 99 21.705 3.378 24.323 1.00 0.00 C ATOM 1399 O THR A 99 22.003 3.407 25.518 1.00 0.00 O ATOM 1400 CB THR A 99 19.974 5.216 23.839 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.623 5.427 23.463 1.00 0.00 O ATOM 1402 CG2 THR A 99 20.863 5.970 22.844 1.00 0.00 C ATOM 0 H THR A 99 19.597 3.324 25.806 1.00 0.00 H new ATOM 0 HA THR A 99 20.132 3.368 22.855 1.00 0.00 H new ATOM 0 HB THR A 99 20.170 5.598 24.841 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.436 6.389 23.442 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.605 7.029 22.856 1.00 0.00 H new ATOM 0 HG22 THR A 99 21.909 5.848 23.126 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.708 5.570 21.842 1.00 0.00 H new ATOM 1410 N ILE A 100 22.579 3.018 23.384 1.00 0.00 N ATOM 1411 CA ILE A 100 23.937 2.583 23.683 1.00 0.00 C ATOM 1412 C ILE A 100 24.843 3.250 22.654 1.00 0.00 C ATOM 1413 O ILE A 100 24.543 3.229 21.459 1.00 0.00 O ATOM 1414 CB ILE A 100 24.063 1.034 23.661 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.851 0.303 24.293 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.355 0.613 24.390 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.953 -1.227 24.298 1.00 0.00 C ATOM 0 H ILE A 100 22.360 3.021 22.388 1.00 0.00 H new ATOM 0 HA ILE A 100 24.227 2.877 24.692 1.00 0.00 H new ATOM 0 HB ILE A 100 24.092 0.739 22.612 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.732 0.648 25.320 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.949 0.591 23.753 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.444 -0.473 24.375 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.216 1.055 23.888 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.320 0.960 25.423 1.00 0.00 H new ATOM 0 HD11 ILE A 100 22.060 -1.650 24.759 1.00 0.00 H new ATOM 0 HD12 ILE A 100 23.038 -1.589 23.274 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.833 -1.531 24.865 1.00 0.00 H new ATOM 1429 N THR A 101 25.949 3.832 23.114 1.00 0.00 N ATOM 1430 CA THR A 101 26.931 4.490 22.268 1.00 0.00 C ATOM 1431 C THR A 101 28.309 4.026 22.733 1.00 0.00 C ATOM 1432 O THR A 101 28.599 4.075 23.928 1.00 0.00 O ATOM 1433 CB THR A 101 26.766 6.019 22.362 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.430 6.402 22.079 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.678 6.764 21.380 1.00 0.00 C ATOM 0 H THR A 101 26.188 3.857 24.105 1.00 0.00 H new ATOM 0 HA THR A 101 26.798 4.229 21.218 1.00 0.00 H new ATOM 0 HB THR A 101 27.038 6.287 23.383 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.348 7.376 22.146 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.525 7.838 21.485 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.719 6.523 21.596 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.439 6.461 20.360 1.00 0.00 H new ATOM 1443 N ARG A 102 29.158 3.566 21.805 1.00 0.00 N ATOM 1444 CA ARG A 102 30.544 3.159 22.046 1.00 0.00 C ATOM 1445 C ARG A 102 30.730 2.274 23.294 1.00 0.00 C ATOM 1446 O ARG A 102 31.703 2.428 24.032 1.00 0.00 O ATOM 1447 CB ARG A 102 31.423 4.429 22.019 1.00 0.00 C ATOM 1448 CG ARG A 102 32.760 4.178 21.313 1.00 0.00 C ATOM 1449 CD ARG A 102 32.602 4.111 19.786 1.00 0.00 C ATOM 1450 NE ARG A 102 33.871 3.746 19.142 1.00 0.00 N ATOM 1451 CZ ARG A 102 34.777 4.552 18.584 1.00 0.00 C ATOM 1452 NH1 ARG A 102 34.605 5.870 18.526 1.00 0.00 N ATOM 1453 NH2 ARG A 102 35.868 3.984 18.089 1.00 0.00 N ATOM 0 H ARG A 102 28.885 3.464 20.828 1.00 0.00 H new ATOM 0 HA ARG A 102 30.870 2.491 21.249 1.00 0.00 H new ATOM 0 HB2 ARG A 102 30.888 5.231 21.511 1.00 0.00 H new ATOM 0 HB3 ARG A 102 31.608 4.766 23.039 1.00 0.00 H new ATOM 0 HG2 ARG A 102 33.460 4.973 21.570 1.00 0.00 H new ATOM 0 HG3 ARG A 102 33.191 3.244 21.674 1.00 0.00 H new ATOM 0 HD2 ARG A 102 31.835 3.380 19.528 1.00 0.00 H new ATOM 0 HD3 ARG A 102 32.263 5.076 19.409 1.00 0.00 H new ATOM 0 HE ARG A 102 34.087 2.749 19.118 1.00 0.00 H new ATOM 0 HH11 ARG A 102 33.762 6.292 18.915 1.00 0.00 H new ATOM 0 HH12 ARG A 102 35.317 6.459 18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 102 35.986 2.972 18.145 1.00 0.00 H new ATOM 0 HH22 ARG A 102 36.589 4.559 17.653 1.00 0.00 H new ATOM 1467 N GLY A 103 29.800 1.343 23.536 1.00 0.00 N ATOM 1468 CA GLY A 103 29.883 0.388 24.640 1.00 0.00 C ATOM 1469 C GLY A 103 29.330 0.918 25.968 1.00 0.00 C ATOM 1470 O GLY A 103 29.500 0.248 26.986 1.00 0.00 O ATOM 0 H GLY A 103 28.962 1.233 22.964 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.338 -0.516 24.367 1.00 0.00 H new ATOM 0 HA3 GLY A 103 30.925 0.101 24.781 1.00 0.00 H new ATOM 1474 N VAL A 104 28.669 2.080 25.983 1.00 0.00 N ATOM 1475 CA VAL A 104 28.125 2.704 27.187 1.00 0.00 C ATOM 1476 C VAL A 104 26.625 2.911 26.959 1.00 0.00 C ATOM 1477 O VAL A 104 26.222 3.592 26.012 1.00 0.00 O ATOM 1478 CB VAL A 104 28.881 4.021 27.487 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.411 4.643 28.811 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.403 3.811 27.572 1.00 0.00 C ATOM 0 H VAL A 104 28.495 2.623 25.137 1.00 0.00 H new ATOM 0 HA VAL A 104 28.259 2.073 28.066 1.00 0.00 H new ATOM 0 HB VAL A 104 28.657 4.690 26.656 1.00 0.00 H new ATOM 0 HG11 VAL A 104 28.960 5.567 28.994 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.345 4.860 28.752 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.594 3.944 29.627 1.00 0.00 H new ATOM 0 HG21 VAL A 104 30.890 4.763 27.784 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.629 3.102 28.369 1.00 0.00 H new ATOM 0 HG23 VAL A 104 30.770 3.419 26.623 1.00 0.00 H new ATOM 1490 N ALA A 105 25.794 2.281 27.795 1.00 0.00 N ATOM 1491 CA ALA A 105 24.347 2.461 27.782 1.00 0.00 C ATOM 1492 C ALA A 105 23.972 3.781 28.463 1.00 0.00 C ATOM 1493 O ALA A 105 24.679 4.238 29.367 1.00 0.00 O ATOM 1494 CB ALA A 105 23.682 1.286 28.507 1.00 0.00 C ATOM 0 H ALA A 105 26.115 1.625 28.507 1.00 0.00 H new ATOM 0 HA ALA A 105 23.998 2.493 26.750 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.600 1.419 28.499 1.00 0.00 H new ATOM 0 HB2 ALA A 105 23.938 0.355 28.001 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.035 1.248 29.538 1.00 0.00 H new ATOM 1548 N ALA A 110 14.569 3.254 31.618 1.00 0.00 N ATOM 1549 CA ALA A 110 13.953 2.576 30.484 1.00 0.00 C ATOM 1550 C ALA A 110 14.902 1.552 29.849 1.00 0.00 C ATOM 1551 O ALA A 110 14.425 0.582 29.261 1.00 0.00 O ATOM 1552 CB ALA A 110 13.523 3.611 29.439 1.00 0.00 C ATOM 0 HA ALA A 110 13.081 2.034 30.849 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.063 3.103 28.592 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.804 4.300 29.883 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.396 4.168 29.098 1.00 0.00 H new ATOM 1558 N CYS A 111 16.223 1.733 29.967 1.00 0.00 N ATOM 1559 CA CYS A 111 17.176 0.780 29.423 1.00 0.00 C ATOM 1560 C CYS A 111 17.089 -0.527 30.211 1.00 0.00 C ATOM 1561 O CYS A 111 17.152 -0.518 31.444 1.00 0.00 O ATOM 1562 CB CYS A 111 18.604 1.339 29.504 1.00 0.00 C ATOM 1563 SG CYS A 111 19.865 0.187 28.891 1.00 0.00 S ATOM 0 H CYS A 111 16.648 2.533 30.436 1.00 0.00 H new ATOM 0 HA CYS A 111 16.935 0.597 28.376 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.657 2.264 28.929 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.828 1.594 30.540 1.00 0.00 H new ATOM 1568 N LYS A 112 17.027 -1.653 29.499 1.00 0.00 N ATOM 1569 CA LYS A 112 17.153 -3.000 30.047 1.00 0.00 C ATOM 1570 C LYS A 112 18.153 -3.731 29.161 1.00 0.00 C ATOM 1571 O LYS A 112 18.047 -3.649 27.936 1.00 0.00 O ATOM 1572 CB LYS A 112 15.788 -3.710 30.030 1.00 0.00 C ATOM 1573 CG LYS A 112 14.840 -3.225 31.144 1.00 0.00 C ATOM 1574 CD LYS A 112 13.361 -3.291 30.736 1.00 0.00 C ATOM 1575 CE LYS A 112 13.067 -2.157 29.744 1.00 0.00 C ATOM 1576 NZ LYS A 112 11.664 -2.132 29.267 1.00 0.00 N ATOM 0 H LYS A 112 16.882 -1.650 28.489 1.00 0.00 H new ATOM 0 HA LYS A 112 17.492 -2.980 31.083 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.314 -3.549 29.062 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.942 -4.784 30.135 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.994 -3.832 32.036 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.094 -2.199 31.410 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.138 -4.256 30.282 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.723 -3.198 31.615 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.297 -1.203 30.218 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.732 -2.255 28.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.587 -1.495 28.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.375 -3.091 28.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.044 -1.792 30.030 1.00 0.00 H new ATOM 1590 N ILE A 113 19.103 -4.433 29.775 1.00 0.00 N ATOM 1591 CA ILE A 113 20.109 -5.273 29.135 1.00 0.00 C ATOM 1592 C ILE A 113 20.238 -6.479 30.066 1.00 0.00 C ATOM 1593 O ILE A 113 20.403 -6.298 31.278 1.00 0.00 O ATOM 1594 CB ILE A 113 21.460 -4.513 28.985 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.344 -3.352 27.972 1.00 0.00 C ATOM 1596 CG2 ILE A 113 22.596 -5.453 28.534 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.578 -2.444 27.886 1.00 0.00 C ATOM 0 H ILE A 113 19.195 -4.430 30.791 1.00 0.00 H new ATOM 0 HA ILE A 113 19.830 -5.566 28.123 1.00 0.00 H new ATOM 0 HB ILE A 113 21.698 -4.112 29.970 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.148 -3.769 26.984 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.480 -2.742 28.237 1.00 0.00 H new ATOM 0 HG21 ILE A 113 23.522 -4.886 28.441 1.00 0.00 H new ATOM 0 HG22 ILE A 113 22.728 -6.244 29.272 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.342 -5.894 27.570 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.402 -1.660 27.150 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.766 -1.992 28.860 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.444 -3.034 27.587 1.00 0.00 H new ATOM 1609 N SER A 114 20.190 -7.692 29.516 1.00 0.00 N ATOM 1610 CA SER A 114 20.357 -8.938 30.253 1.00 0.00 C ATOM 1611 C SER A 114 21.054 -9.946 29.341 1.00 0.00 C ATOM 1612 O SER A 114 20.733 -10.017 28.155 1.00 0.00 O ATOM 1613 CB SER A 114 18.981 -9.481 30.681 1.00 0.00 C ATOM 1614 OG SER A 114 18.209 -8.521 31.390 1.00 0.00 O ATOM 0 H SER A 114 20.030 -7.836 28.519 1.00 0.00 H new ATOM 0 HA SER A 114 20.956 -8.767 31.148 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.431 -9.802 29.797 1.00 0.00 H new ATOM 0 HB3 SER A 114 19.121 -10.362 31.307 1.00 0.00 H new ATOM 0 HG SER A 114 17.346 -8.914 31.637 1.00 0.00 H new ATOM 1620 N GLY A 115 21.995 -10.727 29.882 1.00 0.00 N ATOM 1621 CA GLY A 115 22.637 -11.842 29.187 1.00 0.00 C ATOM 1622 C GLY A 115 23.501 -11.441 27.986 1.00 0.00 C ATOM 1623 O GLY A 115 23.789 -12.299 27.147 1.00 0.00 O ATOM 0 H GLY A 115 22.337 -10.597 30.834 1.00 0.00 H new ATOM 0 HA2 GLY A 115 23.259 -12.385 29.899 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.865 -12.532 28.847 1.00 0.00 H new ATOM 1627 N CYS A 116 23.886 -10.164 27.872 1.00 0.00 N ATOM 1628 CA CYS A 116 24.655 -9.645 26.747 1.00 0.00 C ATOM 1629 C CYS A 116 26.135 -9.484 27.085 1.00 0.00 C ATOM 1630 O CYS A 116 26.519 -9.376 28.254 1.00 0.00 O ATOM 1631 CB CYS A 116 24.110 -8.262 26.365 1.00 0.00 C ATOM 1632 SG CYS A 116 22.352 -8.202 25.960 1.00 0.00 S ATOM 0 H CYS A 116 23.666 -9.456 28.572 1.00 0.00 H new ATOM 0 HA CYS A 116 24.559 -10.360 25.930 1.00 0.00 H new ATOM 0 HB2 CYS A 116 24.298 -7.576 27.191 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.675 -7.892 25.509 1.00 0.00 H new ATOM 1637 N SER A 117 26.935 -9.366 26.029 1.00 0.00 N ATOM 1638 CA SER A 117 28.338 -8.982 26.049 1.00 0.00 C ATOM 1639 C SER A 117 28.492 -7.930 24.946 1.00 0.00 C ATOM 1640 O SER A 117 27.817 -8.021 23.917 1.00 0.00 O ATOM 1641 CB SER A 117 29.229 -10.206 25.806 1.00 0.00 C ATOM 1642 OG SER A 117 29.087 -11.153 26.856 1.00 0.00 O ATOM 0 H SER A 117 26.599 -9.547 25.083 1.00 0.00 H new ATOM 0 HA SER A 117 28.644 -8.576 27.013 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.966 -10.669 24.855 1.00 0.00 H new ATOM 0 HB3 SER A 117 30.271 -9.894 25.731 1.00 0.00 H new ATOM 0 HG SER A 117 29.663 -11.926 26.679 1.00 0.00 H new ATOM 1648 N LEU A 118 29.325 -6.912 25.158 1.00 0.00 N ATOM 1649 CA LEU A 118 29.516 -5.816 24.208 1.00 0.00 C ATOM 1650 C LEU A 118 31.010 -5.605 23.984 1.00 0.00 C ATOM 1651 O LEU A 118 31.816 -5.857 24.886 1.00 0.00 O ATOM 1652 CB LEU A 118 28.862 -4.506 24.698 1.00 0.00 C ATOM 1653 CG LEU A 118 27.329 -4.451 24.534 1.00 0.00 C ATOM 1654 CD1 LEU A 118 26.563 -5.036 25.730 1.00 0.00 C ATOM 1655 CD2 LEU A 118 26.867 -3.001 24.339 1.00 0.00 C ATOM 0 H LEU A 118 29.892 -6.824 26.002 1.00 0.00 H new ATOM 0 HA LEU A 118 29.030 -6.088 23.271 1.00 0.00 H new ATOM 0 HB2 LEU A 118 29.107 -4.365 25.751 1.00 0.00 H new ATOM 0 HB3 LEU A 118 29.302 -3.670 24.154 1.00 0.00 H new ATOM 0 HG LEU A 118 27.105 -5.061 23.659 1.00 0.00 H new ATOM 0 HD11 LEU A 118 25.491 -4.964 25.546 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.839 -6.082 25.863 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.814 -4.477 26.632 1.00 0.00 H new ATOM 0 HD21 LEU A 118 25.783 -2.977 24.225 1.00 0.00 H new ATOM 0 HD22 LEU A 118 27.154 -2.408 25.207 1.00 0.00 H new ATOM 0 HD23 LEU A 118 27.336 -2.587 23.446 1.00 0.00 H new ATOM 1667 N SER A 119 31.356 -5.085 22.806 1.00 0.00 N ATOM 1668 CA SER A 119 32.741 -4.900 22.370 1.00 0.00 C ATOM 1669 C SER A 119 32.968 -3.519 21.729 1.00 0.00 C ATOM 1670 O SER A 119 34.026 -3.295 21.134 1.00 0.00 O ATOM 1671 CB SER A 119 33.136 -6.047 21.422 1.00 0.00 C ATOM 1672 OG SER A 119 32.798 -7.319 21.959 1.00 0.00 O ATOM 0 H SER A 119 30.671 -4.775 22.117 1.00 0.00 H new ATOM 0 HA SER A 119 33.388 -4.931 23.247 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.636 -5.914 20.463 1.00 0.00 H new ATOM 0 HB3 SER A 119 34.208 -6.007 21.231 1.00 0.00 H new ATOM 0 HG SER A 119 33.062 -8.021 21.328 1.00 0.00 H new ATOM 1678 N ALA A 120 32.009 -2.587 21.877 1.00 0.00 N ATOM 1679 CA ALA A 120 32.039 -1.246 21.287 1.00 0.00 C ATOM 1680 C ALA A 120 32.385 -1.309 19.787 1.00 0.00 C ATOM 1681 O ALA A 120 31.954 -2.236 19.092 1.00 0.00 O ATOM 1682 CB ALA A 120 32.962 -0.342 22.126 1.00 0.00 C ATOM 0 H ALA A 120 31.168 -2.757 22.428 1.00 0.00 H new ATOM 0 HA ALA A 120 31.049 -0.791 21.319 1.00 0.00 H new ATOM 0 HB1 ALA A 120 32.987 0.657 21.690 1.00 0.00 H new ATOM 0 HB2 ALA A 120 32.584 -0.283 23.147 1.00 0.00 H new ATOM 0 HB3 ALA A 120 33.969 -0.759 22.136 1.00 0.00 H new ATOM 1688 N MET A 121 33.126 -0.320 19.290 1.00 0.00 N ATOM 1689 CA MET A 121 33.697 -0.276 17.953 1.00 0.00 C ATOM 1690 C MET A 121 35.098 0.299 18.096 1.00 0.00 C ATOM 1691 O MET A 121 35.226 1.363 18.737 1.00 0.00 O ATOM 1692 CB MET A 121 32.804 0.564 17.026 1.00 0.00 C ATOM 1693 CG MET A 121 33.484 0.830 15.677 1.00 0.00 C ATOM 1694 SD MET A 121 32.388 1.477 14.387 1.00 0.00 S ATOM 1695 CE MET A 121 31.683 -0.085 13.790 1.00 0.00 C ATOM 1696 OXT MET A 121 36.060 -0.327 17.609 1.00 0.00 O ATOM 0 H MET A 121 33.353 0.510 19.838 1.00 0.00 H new ATOM 0 HA MET A 121 33.755 -1.265 17.499 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.859 0.046 16.862 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.568 1.512 17.508 1.00 0.00 H new ATOM 0 HG2 MET A 121 34.299 1.538 15.830 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.931 -0.099 15.322 1.00 0.00 H new ATOM 0 HE1 MET A 121 30.977 0.119 12.985 1.00 0.00 H new ATOM 0 HE2 MET A 121 32.482 -0.727 13.419 1.00 0.00 H new ATOM 0 HE3 MET A 121 31.165 -0.587 14.608 1.00 0.00 H new