USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=45 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 65:sc= 1.98 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -113:sc= 0.861 (180deg=0.747) USER MOD Set 2.1: A 73 TYR OH : rot 17:sc= 1.28 USER MOD Set 2.2: A 83 THR OG1 : rot 130:sc= 1.09 USER MOD Set 3.1: A 47 ASN : amide:sc= 0.892 K(o=1.7,f=-0.39) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.777 K(o=1.7,f=-0.39) USER MOD Set 4.1: A 57 ASN : amide:sc= 0.828 K(o=2.6,f=2.1) USER MOD Set 4.2: A 72 GLN : amide:sc= 1.29 K(o=2.6,f=2.1) USER MOD Set 4.3: A 87 SER OG : rot 170:sc= 0.508 USER MOD Set 5.1: A 42 GLN : amide:sc= 0.232 X(o=0.42,f=0.04) USER MOD Set 5.2: A 44 SER OG : rot 180:sc= 0.189 USER MOD Set 6.1: A 41 SER OG : rot 80:sc= 1.45 USER MOD Set 6.2: A 53 THR OG1 : rot -89:sc= 1.06 USER MOD Set 7.1: A 14 ASN : amide:sc= 1.12 K(o=3.1,f=0.88) USER MOD Set 7.2: A 29 ASN : amide:sc= 1.99 K(o=3.1,f=-0.19) USER MOD Set 8.1: A 12 THR OG1 : rot 130:sc= 1.11 USER MOD Set 8.2: A 15 SER OG : rot 104:sc= 1.72 USER MOD Set 9.1: A 8 ASN : amide:sc= 0.604 K(o=2.3,f=0.69) USER MOD Set 9.2: A 24 ASN : amide:sc= 1.57 K(o=2.3,f=0.16) USER MOD Set 9.3: A 26 TYR OH : rot 180:sc= 0.101 USER MOD Single : A 6 ASN : amide:sc= 0.279 K(o=0.28,f=-11!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 82:sc= 0.644 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 16 GLN : amide:sc= 0.643 K(o=0.64,f=-0.017) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 135:sc= 0.449 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 83:sc= 1.96 USER MOD Single : A 31 GLN : amide:sc= 0.0986 X(o=0.099,f=-0.35) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 86:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 70:sc= -0.111 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.931) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 62:sc= 1.61 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 61 SER OG : rot 66:sc= 1.78 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 59:sc= 1.37 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 71 SER OG : rot 66:sc= 1.34 USER MOD Single : A 74 ASN : amide:sc= 1.07 K(o=1.1,f=-0.087) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 63:sc= 1.73 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 86 THR OG1 : rot 34:sc= 1.31 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 100:sc= 1.01 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 5:sc= 0.683 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 10.849 -2.522 -1.413 1.00 0.00 N ATOM 47 CA VAL A 5 11.475 -1.414 -2.125 1.00 0.00 C ATOM 48 C VAL A 5 12.983 -1.702 -2.145 1.00 0.00 C ATOM 49 O VAL A 5 13.768 -1.101 -1.406 1.00 0.00 O ATOM 50 CB VAL A 5 11.063 -0.063 -1.490 1.00 0.00 C ATOM 51 CG1 VAL A 5 11.543 1.122 -2.342 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.536 0.056 -1.333 1.00 0.00 C ATOM 0 HA VAL A 5 11.140 -1.326 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 5 11.534 -0.036 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.239 2.056 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.630 1.094 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.102 1.057 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.290 1.018 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.063 -0.019 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.172 -0.747 -0.692 1.00 0.00 H new ATOM 62 N ASN A 6 13.381 -2.709 -2.929 1.00 0.00 N ATOM 63 CA ASN A 6 14.785 -3.073 -3.085 1.00 0.00 C ATOM 64 C ASN A 6 15.472 -2.084 -4.033 1.00 0.00 C ATOM 65 O ASN A 6 14.944 -1.783 -5.107 1.00 0.00 O ATOM 66 CB ASN A 6 14.924 -4.511 -3.621 1.00 0.00 C ATOM 67 CG ASN A 6 16.386 -4.960 -3.672 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.257 -4.327 -3.092 1.00 0.00 O ATOM 69 ND2 ASN A 6 16.704 -6.051 -4.346 1.00 0.00 N ATOM 0 H ASN A 6 12.739 -3.290 -3.469 1.00 0.00 H new ATOM 0 HA ASN A 6 15.267 -3.029 -2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.357 -5.192 -2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.491 -4.570 -4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.674 -6.364 -4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.979 -6.581 -4.830 1.00 0.00 H new ATOM 76 N THR A 7 16.668 -1.641 -3.662 1.00 0.00 N ATOM 77 CA THR A 7 17.595 -0.855 -4.453 1.00 0.00 C ATOM 78 C THR A 7 18.957 -1.554 -4.342 1.00 0.00 C ATOM 79 O THR A 7 19.718 -1.324 -3.401 1.00 0.00 O ATOM 80 CB THR A 7 17.609 0.603 -3.954 1.00 0.00 C ATOM 81 OG1 THR A 7 16.294 1.127 -3.869 1.00 0.00 O ATOM 82 CG2 THR A 7 18.419 1.498 -4.900 1.00 0.00 C ATOM 0 H THR A 7 17.038 -1.839 -2.732 1.00 0.00 H new ATOM 0 HA THR A 7 17.308 -0.798 -5.503 1.00 0.00 H new ATOM 0 HB THR A 7 18.067 0.595 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.331 2.052 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.414 2.522 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.446 1.136 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.974 1.473 -5.895 1.00 0.00 H new ATOM 90 N ASN A 8 19.246 -2.437 -5.302 1.00 0.00 N ATOM 91 CA ASN A 8 20.486 -3.212 -5.460 1.00 0.00 C ATOM 92 C ASN A 8 20.933 -4.032 -4.234 1.00 0.00 C ATOM 93 O ASN A 8 22.099 -4.419 -4.148 1.00 0.00 O ATOM 94 CB ASN A 8 21.615 -2.307 -5.994 1.00 0.00 C ATOM 95 CG ASN A 8 22.711 -3.115 -6.691 1.00 0.00 C ATOM 96 OD1 ASN A 8 22.455 -3.785 -7.688 1.00 0.00 O ATOM 97 ND2 ASN A 8 23.949 -3.064 -6.226 1.00 0.00 N ATOM 0 H ASN A 8 18.575 -2.646 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 8 20.250 -3.981 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.199 -1.581 -6.693 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.049 -1.743 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 8 24.692 -3.581 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.160 -2.507 -5.398 1.00 0.00 H new ATOM 104 N SER A 9 20.055 -4.307 -3.268 1.00 0.00 N ATOM 105 CA SER A 9 20.357 -5.238 -2.185 1.00 0.00 C ATOM 106 C SER A 9 20.318 -6.673 -2.692 1.00 0.00 C ATOM 107 O SER A 9 19.660 -6.983 -3.693 1.00 0.00 O ATOM 108 CB SER A 9 19.375 -5.084 -1.025 1.00 0.00 C ATOM 109 OG SER A 9 19.303 -3.723 -0.662 1.00 0.00 O ATOM 0 H SER A 9 19.124 -3.894 -3.216 1.00 0.00 H new ATOM 0 HA SER A 9 21.359 -5.005 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.390 -5.449 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.700 -5.684 -0.175 1.00 0.00 H new ATOM 0 HG SER A 9 18.684 -3.257 -1.262 1.00 0.00 H new ATOM 115 N GLN A 10 20.978 -7.548 -1.938 1.00 0.00 N ATOM 116 CA GLN A 10 20.941 -8.985 -2.115 1.00 0.00 C ATOM 117 C GLN A 10 20.034 -9.541 -1.024 1.00 0.00 C ATOM 118 O GLN A 10 20.170 -9.186 0.148 1.00 0.00 O ATOM 119 CB GLN A 10 22.380 -9.530 -2.066 1.00 0.00 C ATOM 120 CG GLN A 10 22.507 -10.949 -1.494 1.00 0.00 C ATOM 121 CD GLN A 10 23.933 -11.506 -1.564 1.00 0.00 C ATOM 122 OE1 GLN A 10 24.657 -11.324 -2.540 1.00 0.00 O ATOM 123 NE2 GLN A 10 24.377 -12.196 -0.524 1.00 0.00 N ATOM 0 H GLN A 10 21.572 -7.259 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 10 20.536 -9.288 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.792 -9.521 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.990 -8.855 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 10 22.176 -10.945 -0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.837 -11.614 -2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.773 -12.345 0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.323 -12.578 -0.532 1.00 0.00 H new ATOM 132 N ILE A 11 19.147 -10.444 -1.429 1.00 0.00 N ATOM 133 CA ILE A 11 18.208 -11.171 -0.586 1.00 0.00 C ATOM 134 C ILE A 11 18.286 -12.611 -1.091 1.00 0.00 C ATOM 135 O ILE A 11 18.070 -12.836 -2.287 1.00 0.00 O ATOM 136 CB ILE A 11 16.778 -10.564 -0.687 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.732 -9.042 -0.396 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.817 -11.268 0.289 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.758 -8.175 -1.659 1.00 0.00 C ATOM 0 H ILE A 11 19.060 -10.702 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 11 18.451 -11.113 0.475 1.00 0.00 H new ATOM 0 HB ILE A 11 16.469 -10.721 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.829 -8.816 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.580 -8.775 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.823 -10.828 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.766 -12.330 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.180 -11.145 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.723 -7.122 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.674 -8.372 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.896 -8.413 -2.282 1.00 0.00 H new ATOM 151 N THR A 12 18.668 -13.565 -0.237 1.00 0.00 N ATOM 152 CA THR A 12 18.800 -14.954 -0.693 1.00 0.00 C ATOM 153 C THR A 12 17.428 -15.555 -1.037 1.00 0.00 C ATOM 154 O THR A 12 16.383 -15.006 -0.676 1.00 0.00 O ATOM 155 CB THR A 12 19.583 -15.826 0.304 1.00 0.00 C ATOM 156 OG1 THR A 12 18.973 -15.848 1.581 1.00 0.00 O ATOM 157 CG2 THR A 12 21.036 -15.370 0.441 1.00 0.00 C ATOM 0 H THR A 12 18.886 -13.410 0.747 1.00 0.00 H new ATOM 0 HA THR A 12 19.391 -14.940 -1.609 1.00 0.00 H new ATOM 0 HB THR A 12 19.571 -16.836 -0.105 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.877 -16.776 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.553 -16.012 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.530 -15.433 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.062 -14.340 0.795 1.00 0.00 H new ATOM 165 N ALA A 13 17.427 -16.721 -1.695 1.00 0.00 N ATOM 166 CA ALA A 13 16.220 -17.417 -2.136 1.00 0.00 C ATOM 167 C ALA A 13 15.239 -17.726 -0.995 1.00 0.00 C ATOM 168 O ALA A 13 14.038 -17.822 -1.249 1.00 0.00 O ATOM 169 CB ALA A 13 16.628 -18.724 -2.821 1.00 0.00 C ATOM 0 H ALA A 13 18.286 -17.214 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 13 15.698 -16.751 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.736 -19.254 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.261 -18.502 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.178 -19.348 -2.116 1.00 0.00 H new ATOM 175 N ASN A 14 15.734 -17.889 0.241 1.00 0.00 N ATOM 176 CA ASN A 14 14.891 -18.210 1.402 1.00 0.00 C ATOM 177 C ASN A 14 14.721 -17.016 2.345 1.00 0.00 C ATOM 178 O ASN A 14 13.836 -17.032 3.204 1.00 0.00 O ATOM 179 CB ASN A 14 15.441 -19.426 2.162 1.00 0.00 C ATOM 180 CG ASN A 14 14.400 -19.967 3.144 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.287 -20.313 2.756 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.724 -20.075 4.421 1.00 0.00 N ATOM 0 H ASN A 14 16.726 -17.802 0.463 1.00 0.00 H new ATOM 0 HA ASN A 14 13.903 -18.459 1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.721 -20.207 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.346 -19.145 2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.049 -20.447 5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.649 -19.786 4.739 1.00 0.00 H new ATOM 189 N SER A 15 15.538 -15.972 2.186 1.00 0.00 N ATOM 190 CA SER A 15 15.332 -14.705 2.868 1.00 0.00 C ATOM 191 C SER A 15 14.017 -14.068 2.406 1.00 0.00 C ATOM 192 O SER A 15 13.469 -14.423 1.358 1.00 0.00 O ATOM 193 CB SER A 15 16.495 -13.770 2.556 1.00 0.00 C ATOM 194 OG SER A 15 17.670 -14.201 3.196 1.00 0.00 O ATOM 0 H SER A 15 16.358 -15.987 1.580 1.00 0.00 H new ATOM 0 HA SER A 15 15.281 -14.878 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.656 -13.730 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.250 -12.758 2.879 1.00 0.00 H new ATOM 0 HG SER A 15 18.263 -14.624 2.541 1.00 0.00 H new ATOM 200 N GLN A 16 13.524 -13.094 3.171 1.00 0.00 N ATOM 201 CA GLN A 16 12.258 -12.424 2.928 1.00 0.00 C ATOM 202 C GLN A 16 12.497 -10.920 3.041 1.00 0.00 C ATOM 203 O GLN A 16 13.233 -10.469 3.922 1.00 0.00 O ATOM 204 CB GLN A 16 11.198 -12.881 3.951 1.00 0.00 C ATOM 205 CG GLN A 16 11.034 -14.404 4.112 1.00 0.00 C ATOM 206 CD GLN A 16 10.536 -15.114 2.848 1.00 0.00 C ATOM 207 OE1 GLN A 16 9.582 -14.683 2.205 1.00 0.00 O ATOM 208 NE2 GLN A 16 11.147 -16.226 2.471 1.00 0.00 N ATOM 0 H GLN A 16 14.011 -12.744 3.996 1.00 0.00 H new ATOM 0 HA GLN A 16 11.884 -12.674 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.452 -12.457 4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.235 -12.460 3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.992 -14.834 4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.336 -14.600 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.939 -16.580 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.826 -16.729 1.644 1.00 0.00 H new ATOM 217 N CYS A 17 11.844 -10.151 2.175 1.00 0.00 N ATOM 218 CA CYS A 17 11.824 -8.698 2.198 1.00 0.00 C ATOM 219 C CYS A 17 10.366 -8.330 1.918 1.00 0.00 C ATOM 220 O CYS A 17 9.855 -8.685 0.853 1.00 0.00 O ATOM 221 CB CYS A 17 12.799 -8.191 1.122 1.00 0.00 C ATOM 222 SG CYS A 17 13.259 -6.437 1.148 1.00 0.00 S ATOM 0 H CYS A 17 11.294 -10.541 1.410 1.00 0.00 H new ATOM 0 HA CYS A 17 12.144 -8.249 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.715 -8.777 1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.362 -8.407 0.147 1.00 0.00 H new ATOM 0 HG CYS A 17 14.085 -6.191 0.175 1.00 0.00 H new ATOM 227 N VAL A 18 9.676 -7.693 2.872 1.00 0.00 N ATOM 228 CA VAL A 18 8.226 -7.484 2.797 1.00 0.00 C ATOM 229 C VAL A 18 7.904 -6.096 3.358 1.00 0.00 C ATOM 230 O VAL A 18 8.181 -5.835 4.527 1.00 0.00 O ATOM 231 CB VAL A 18 7.468 -8.608 3.553 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.953 -8.499 3.325 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.894 -10.028 3.135 1.00 0.00 C ATOM 0 H VAL A 18 10.105 -7.310 3.714 1.00 0.00 H new ATOM 0 HA VAL A 18 7.894 -7.530 1.760 1.00 0.00 H new ATOM 0 HB VAL A 18 7.724 -8.461 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.445 -9.298 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.599 -7.534 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.738 -8.588 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.323 -10.762 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.704 -10.166 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.957 -10.162 3.334 1.00 0.00 H new ATOM 243 N LYS A 19 7.344 -5.203 2.528 1.00 0.00 N ATOM 244 CA LYS A 19 7.055 -3.777 2.783 1.00 0.00 C ATOM 245 C LYS A 19 8.296 -2.908 3.027 1.00 0.00 C ATOM 246 O LYS A 19 8.240 -1.699 2.797 1.00 0.00 O ATOM 247 CB LYS A 19 6.059 -3.573 3.944 1.00 0.00 C ATOM 248 CG LYS A 19 4.722 -4.317 3.845 1.00 0.00 C ATOM 249 CD LYS A 19 3.923 -3.957 2.580 1.00 0.00 C ATOM 250 CE LYS A 19 2.475 -4.472 2.620 1.00 0.00 C ATOM 251 NZ LYS A 19 2.372 -5.955 2.581 1.00 0.00 N ATOM 0 H LYS A 19 7.058 -5.477 1.588 1.00 0.00 H new ATOM 0 HA LYS A 19 6.602 -3.440 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.549 -3.876 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.849 -2.507 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.909 -5.391 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.120 -4.089 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.915 -2.874 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.427 -4.373 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.992 -4.106 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.926 -4.055 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.371 -6.234 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.805 -6.310 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.869 -6.359 3.400 1.00 0.00 H new ATOM 265 N SER A 20 9.383 -3.499 3.503 1.00 0.00 N ATOM 266 CA SER A 20 10.645 -2.864 3.817 1.00 0.00 C ATOM 267 C SER A 20 11.284 -2.150 2.621 1.00 0.00 C ATOM 268 O SER A 20 10.886 -2.332 1.466 1.00 0.00 O ATOM 269 CB SER A 20 11.549 -3.957 4.393 1.00 0.00 C ATOM 270 OG SER A 20 10.910 -4.554 5.512 1.00 0.00 O ATOM 0 H SER A 20 9.403 -4.501 3.691 1.00 0.00 H new ATOM 0 HA SER A 20 10.487 -2.064 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.757 -4.711 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.508 -3.532 4.691 1.00 0.00 H new ATOM 0 HG SER A 20 10.991 -5.529 5.453 1.00 0.00 H new ATOM 276 N THR A 21 12.334 -1.385 2.910 1.00 0.00 N ATOM 277 CA THR A 21 13.167 -0.712 1.925 1.00 0.00 C ATOM 278 C THR A 21 14.594 -1.193 2.171 1.00 0.00 C ATOM 279 O THR A 21 15.016 -1.305 3.324 1.00 0.00 O ATOM 280 CB THR A 21 13.023 0.815 2.074 1.00 0.00 C ATOM 281 OG1 THR A 21 11.654 1.183 2.025 1.00 0.00 O ATOM 282 CG2 THR A 21 13.782 1.590 0.991 1.00 0.00 C ATOM 0 H THR A 21 12.636 -1.213 3.869 1.00 0.00 H new ATOM 0 HA THR A 21 12.872 -0.945 0.902 1.00 0.00 H new ATOM 0 HB THR A 21 13.457 1.075 3.039 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.573 2.155 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.645 2.660 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.843 1.348 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.398 1.313 0.009 1.00 0.00 H new ATOM 290 N ALA A 22 15.338 -1.499 1.112 1.00 0.00 N ATOM 291 CA ALA A 22 16.649 -2.105 1.238 1.00 0.00 C ATOM 292 C ALA A 22 17.579 -1.457 0.230 1.00 0.00 C ATOM 293 O ALA A 22 17.348 -1.578 -0.972 1.00 0.00 O ATOM 294 CB ALA A 22 16.528 -3.623 1.035 1.00 0.00 C ATOM 0 H ALA A 22 15.046 -1.333 0.149 1.00 0.00 H new ATOM 0 HA ALA A 22 17.065 -1.944 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.512 -4.082 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.860 -4.039 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.126 -3.826 0.042 1.00 0.00 H new ATOM 300 N THR A 23 18.624 -0.792 0.713 1.00 0.00 N ATOM 301 CA THR A 23 19.583 -0.082 -0.122 1.00 0.00 C ATOM 302 C THR A 23 20.943 -0.779 -0.011 1.00 0.00 C ATOM 303 O THR A 23 21.641 -0.639 0.994 1.00 0.00 O ATOM 304 CB THR A 23 19.619 1.405 0.280 1.00 0.00 C ATOM 305 OG1 THR A 23 18.306 1.935 0.355 1.00 0.00 O ATOM 306 CG2 THR A 23 20.408 2.244 -0.732 1.00 0.00 C ATOM 0 H THR A 23 18.830 -0.731 1.710 1.00 0.00 H new ATOM 0 HA THR A 23 19.291 -0.108 -1.172 1.00 0.00 H new ATOM 0 HB THR A 23 20.107 1.454 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.349 2.879 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.412 3.287 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.433 1.878 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.941 2.164 -1.714 1.00 0.00 H new ATOM 314 N ASN A 24 21.316 -1.525 -1.057 1.00 0.00 N ATOM 315 CA ASN A 24 22.536 -2.324 -1.182 1.00 0.00 C ATOM 316 C ASN A 24 22.862 -3.125 0.094 1.00 0.00 C ATOM 317 O ASN A 24 24.008 -3.157 0.544 1.00 0.00 O ATOM 318 CB ASN A 24 23.692 -1.448 -1.700 1.00 0.00 C ATOM 319 CG ASN A 24 24.742 -2.270 -2.445 1.00 0.00 C ATOM 320 OD1 ASN A 24 24.854 -2.178 -3.665 1.00 0.00 O ATOM 321 ND2 ASN A 24 25.512 -3.087 -1.752 1.00 0.00 N ATOM 0 H ASN A 24 20.734 -1.589 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 24 22.369 -3.097 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.296 -0.679 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.162 -0.934 -0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 24 26.213 -3.654 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 24 25.406 -3.152 -0.740 1.00 0.00 H new ATOM 328 N CYS A 25 21.849 -3.728 0.718 1.00 0.00 N ATOM 329 CA CYS A 25 22.004 -4.556 1.907 1.00 0.00 C ATOM 330 C CYS A 25 22.381 -5.970 1.461 1.00 0.00 C ATOM 331 O CYS A 25 22.290 -6.297 0.273 1.00 0.00 O ATOM 332 CB CYS A 25 20.690 -4.591 2.702 1.00 0.00 C ATOM 333 SG CYS A 25 19.900 -2.981 2.939 1.00 0.00 S ATOM 0 H CYS A 25 20.882 -3.651 0.403 1.00 0.00 H new ATOM 0 HA CYS A 25 22.782 -4.144 2.549 1.00 0.00 H new ATOM 0 HB2 CYS A 25 19.990 -5.251 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.886 -5.031 3.680 1.00 0.00 H new ATOM 338 N TYR A 26 22.715 -6.834 2.414 1.00 0.00 N ATOM 339 CA TYR A 26 23.020 -8.234 2.168 1.00 0.00 C ATOM 340 C TYR A 26 22.225 -9.019 3.202 1.00 0.00 C ATOM 341 O TYR A 26 22.410 -8.823 4.403 1.00 0.00 O ATOM 342 CB TYR A 26 24.535 -8.453 2.263 1.00 0.00 C ATOM 343 CG TYR A 26 25.322 -7.705 1.200 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.768 -6.390 1.440 1.00 0.00 C ATOM 345 CD2 TYR A 26 25.567 -8.306 -0.050 1.00 0.00 C ATOM 346 CE1 TYR A 26 26.434 -5.671 0.431 1.00 0.00 C ATOM 347 CE2 TYR A 26 26.233 -7.595 -1.064 1.00 0.00 C ATOM 348 CZ TYR A 26 26.662 -6.266 -0.831 1.00 0.00 C ATOM 349 OH TYR A 26 27.291 -5.554 -1.810 1.00 0.00 O ATOM 0 H TYR A 26 22.782 -6.573 3.398 1.00 0.00 H new ATOM 0 HA TYR A 26 22.739 -8.568 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.879 -8.138 3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.746 -9.519 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.598 -5.932 2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 26 25.241 -9.320 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.772 -4.663 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.417 -8.062 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 26 27.371 -6.106 -2.616 1.00 0.00 H new ATOM 359 N ILE A 27 21.305 -9.860 2.740 1.00 0.00 N ATOM 360 CA ILE A 27 20.305 -10.518 3.566 1.00 0.00 C ATOM 361 C ILE A 27 20.413 -12.009 3.253 1.00 0.00 C ATOM 362 O ILE A 27 20.095 -12.427 2.136 1.00 0.00 O ATOM 363 CB ILE A 27 18.919 -9.895 3.244 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.933 -8.361 3.473 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.787 -10.559 4.040 1.00 0.00 C ATOM 366 CD1 ILE A 27 17.590 -7.653 3.267 1.00 0.00 C ATOM 0 H ILE A 27 21.235 -10.108 1.753 1.00 0.00 H new ATOM 0 HA ILE A 27 20.452 -10.384 4.638 1.00 0.00 H new ATOM 0 HB ILE A 27 18.721 -10.083 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.275 -8.166 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.666 -7.917 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.837 -10.090 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.746 -11.621 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.973 -10.438 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.709 -6.585 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.250 -7.808 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 27 16.854 -8.061 3.959 1.00 0.00 H new ATOM 378 N ASP A 28 20.905 -12.788 4.218 1.00 0.00 N ATOM 379 CA ASP A 28 21.155 -14.221 4.108 1.00 0.00 C ATOM 380 C ASP A 28 20.318 -14.944 5.156 1.00 0.00 C ATOM 381 O ASP A 28 20.420 -14.638 6.344 1.00 0.00 O ATOM 382 CB ASP A 28 22.645 -14.512 4.323 1.00 0.00 C ATOM 383 CG ASP A 28 22.897 -16.016 4.526 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.585 -16.813 3.615 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.440 -16.406 5.584 1.00 0.00 O ATOM 0 H ASP A 28 21.150 -12.418 5.137 1.00 0.00 H new ATOM 0 HA ASP A 28 20.879 -14.571 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.215 -14.158 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.004 -13.960 5.192 1.00 0.00 H new ATOM 390 N ASN A 29 19.483 -15.883 4.712 1.00 0.00 N ATOM 391 CA ASN A 29 18.431 -16.569 5.473 1.00 0.00 C ATOM 392 C ASN A 29 17.674 -15.656 6.457 1.00 0.00 C ATOM 393 O ASN A 29 17.265 -16.099 7.533 1.00 0.00 O ATOM 394 CB ASN A 29 18.989 -17.831 6.158 1.00 0.00 C ATOM 395 CG ASN A 29 17.863 -18.822 6.445 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.183 -19.258 5.521 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.631 -19.226 7.683 1.00 0.00 N ATOM 0 H ASN A 29 19.524 -16.209 3.746 1.00 0.00 H new ATOM 0 HA ASN A 29 17.677 -16.877 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.739 -18.298 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.488 -17.558 7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.888 -19.899 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.196 -18.864 8.452 1.00 0.00 H new ATOM 404 N SER A 30 17.497 -14.378 6.111 1.00 0.00 N ATOM 405 CA SER A 30 17.003 -13.353 7.019 1.00 0.00 C ATOM 406 C SER A 30 15.687 -12.758 6.525 1.00 0.00 C ATOM 407 O SER A 30 15.360 -12.842 5.343 1.00 0.00 O ATOM 408 CB SER A 30 18.077 -12.284 7.212 1.00 0.00 C ATOM 409 OG SER A 30 19.196 -12.826 7.872 1.00 0.00 O ATOM 0 H SER A 30 17.698 -14.026 5.175 1.00 0.00 H new ATOM 0 HA SER A 30 16.791 -13.807 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.377 -11.882 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.673 -11.453 7.791 1.00 0.00 H new ATOM 0 HG SER A 30 19.776 -13.272 7.220 1.00 0.00 H new ATOM 415 N GLN A 31 14.921 -12.152 7.433 1.00 0.00 N ATOM 416 CA GLN A 31 13.570 -11.672 7.169 1.00 0.00 C ATOM 417 C GLN A 31 13.518 -10.196 7.560 1.00 0.00 C ATOM 418 O GLN A 31 13.462 -9.866 8.745 1.00 0.00 O ATOM 419 CB GLN A 31 12.479 -12.543 7.845 1.00 0.00 C ATOM 420 CG GLN A 31 12.908 -13.551 8.931 1.00 0.00 C ATOM 421 CD GLN A 31 13.652 -14.777 8.381 1.00 0.00 C ATOM 422 OE1 GLN A 31 13.172 -15.478 7.495 1.00 0.00 O ATOM 423 NE2 GLN A 31 14.840 -15.061 8.891 1.00 0.00 N ATOM 0 H GLN A 31 15.231 -11.979 8.389 1.00 0.00 H new ATOM 0 HA GLN A 31 13.340 -11.764 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.746 -11.870 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.966 -13.100 7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.548 -13.043 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.023 -13.887 9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.233 -14.474 9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.363 -15.867 8.548 1.00 0.00 H new ATOM 432 N LEU A 32 13.593 -9.318 6.558 1.00 0.00 N ATOM 433 CA LEU A 32 13.511 -7.868 6.704 1.00 0.00 C ATOM 434 C LEU A 32 12.062 -7.478 6.424 1.00 0.00 C ATOM 435 O LEU A 32 11.698 -7.270 5.262 1.00 0.00 O ATOM 436 CB LEU A 32 14.494 -7.207 5.714 1.00 0.00 C ATOM 437 CG LEU A 32 14.519 -5.666 5.799 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.382 -5.180 6.967 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.052 -5.048 4.504 1.00 0.00 C ATOM 0 H LEU A 32 13.717 -9.610 5.589 1.00 0.00 H new ATOM 0 HA LEU A 32 13.788 -7.533 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.497 -7.589 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.227 -7.502 4.699 1.00 0.00 H new ATOM 0 HG LEU A 32 13.489 -5.347 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.376 -4.090 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.981 -5.570 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.405 -5.534 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.058 -3.962 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.067 -5.402 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.412 -5.339 3.671 1.00 0.00 H new ATOM 451 N VAL A 33 11.212 -7.373 7.446 1.00 0.00 N ATOM 452 CA VAL A 33 9.772 -7.234 7.221 1.00 0.00 C ATOM 453 C VAL A 33 9.181 -6.052 7.995 1.00 0.00 C ATOM 454 O VAL A 33 9.880 -5.378 8.760 1.00 0.00 O ATOM 455 CB VAL A 33 9.074 -8.591 7.494 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.623 -9.707 6.585 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.177 -9.067 8.950 1.00 0.00 C ATOM 0 H VAL A 33 11.491 -7.381 8.427 1.00 0.00 H new ATOM 0 HA VAL A 33 9.588 -6.986 6.176 1.00 0.00 H new ATOM 0 HB VAL A 33 8.024 -8.400 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.109 -10.642 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.458 -9.440 5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.691 -9.829 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.664 -10.023 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.226 -9.186 9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.714 -8.331 9.607 1.00 0.00 H new ATOM 467 N ASP A 34 7.877 -5.820 7.801 1.00 0.00 N ATOM 468 CA ASP A 34 7.070 -4.865 8.561 1.00 0.00 C ATOM 469 C ASP A 34 7.652 -3.451 8.462 1.00 0.00 C ATOM 470 O ASP A 34 7.914 -2.795 9.463 1.00 0.00 O ATOM 471 CB ASP A 34 6.897 -5.379 9.999 1.00 0.00 C ATOM 472 CG ASP A 34 5.939 -4.548 10.864 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.996 -3.914 10.337 1.00 0.00 O ATOM 474 OD2 ASP A 34 6.082 -4.635 12.105 1.00 0.00 O ATOM 0 H ASP A 34 7.339 -6.310 7.086 1.00 0.00 H new ATOM 0 HA ASP A 34 6.071 -4.787 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.534 -6.406 9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.874 -5.403 10.482 1.00 0.00 H new ATOM 479 N THR A 35 7.906 -2.998 7.233 1.00 0.00 N ATOM 480 CA THR A 35 8.559 -1.746 6.904 1.00 0.00 C ATOM 481 C THR A 35 9.853 -1.460 7.688 1.00 0.00 C ATOM 482 O THR A 35 10.040 -0.380 8.258 1.00 0.00 O ATOM 483 CB THR A 35 7.554 -0.589 6.872 1.00 0.00 C ATOM 484 OG1 THR A 35 6.303 -1.003 6.341 1.00 0.00 O ATOM 485 CG2 THR A 35 8.096 0.512 5.953 1.00 0.00 C ATOM 0 H THR A 35 7.645 -3.529 6.402 1.00 0.00 H new ATOM 0 HA THR A 35 8.937 -1.855 5.887 1.00 0.00 H new ATOM 0 HB THR A 35 7.416 -0.237 7.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.683 -0.244 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.389 1.341 5.922 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.054 0.866 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.231 0.113 4.948 1.00 0.00 H new ATOM 493 N SER A 36 10.746 -2.445 7.760 1.00 0.00 N ATOM 494 CA SER A 36 12.096 -2.208 8.229 1.00 0.00 C ATOM 495 C SER A 36 12.823 -1.495 7.080 1.00 0.00 C ATOM 496 O SER A 36 12.358 -1.492 5.935 1.00 0.00 O ATOM 497 CB SER A 36 12.772 -3.530 8.584 1.00 0.00 C ATOM 498 OG SER A 36 12.099 -4.141 9.664 1.00 0.00 O ATOM 0 H SER A 36 10.553 -3.412 7.498 1.00 0.00 H new ATOM 0 HA SER A 36 12.113 -1.599 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.768 -4.194 7.720 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.815 -3.356 8.847 1.00 0.00 H new ATOM 0 HG SER A 36 11.346 -4.668 9.324 1.00 0.00 H new ATOM 504 N ILE A 37 13.955 -0.860 7.348 1.00 0.00 N ATOM 505 CA ILE A 37 14.676 -0.084 6.351 1.00 0.00 C ATOM 506 C ILE A 37 16.170 -0.352 6.574 1.00 0.00 C ATOM 507 O ILE A 37 16.635 -0.273 7.712 1.00 0.00 O ATOM 508 CB ILE A 37 14.254 1.412 6.442 1.00 0.00 C ATOM 509 CG1 ILE A 37 12.767 1.608 6.055 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.176 2.300 5.581 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.273 3.061 6.045 1.00 0.00 C ATOM 0 H ILE A 37 14.400 -0.869 8.266 1.00 0.00 H new ATOM 0 HA ILE A 37 14.438 -0.375 5.328 1.00 0.00 H new ATOM 0 HB ILE A 37 14.364 1.722 7.481 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.608 1.182 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.151 1.038 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.859 3.340 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.204 2.205 5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.117 1.983 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.221 3.086 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.391 3.492 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.856 3.639 5.327 1.00 0.00 H new ATOM 523 N CYS A 38 16.936 -0.667 5.524 1.00 0.00 N ATOM 524 CA CYS A 38 18.361 -0.950 5.662 1.00 0.00 C ATOM 525 C CYS A 38 19.162 -0.218 4.594 1.00 0.00 C ATOM 526 O CYS A 38 18.677 0.006 3.481 1.00 0.00 O ATOM 527 CB CYS A 38 18.616 -2.470 5.653 1.00 0.00 C ATOM 528 SG CYS A 38 18.280 -3.362 4.116 1.00 0.00 S ATOM 0 H CYS A 38 16.587 -0.731 4.568 1.00 0.00 H new ATOM 0 HA CYS A 38 18.704 -0.575 6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.660 -2.638 5.918 1.00 0.00 H new ATOM 0 HB3 CYS A 38 18.011 -2.918 6.441 1.00 0.00 H new ATOM 533 N THR A 39 20.412 0.101 4.933 1.00 0.00 N ATOM 534 CA THR A 39 21.388 0.704 4.046 1.00 0.00 C ATOM 535 C THR A 39 22.718 0.007 4.329 1.00 0.00 C ATOM 536 O THR A 39 23.257 0.140 5.425 1.00 0.00 O ATOM 537 CB THR A 39 21.460 2.223 4.298 1.00 0.00 C ATOM 538 OG1 THR A 39 20.182 2.822 4.175 1.00 0.00 O ATOM 539 CG2 THR A 39 22.399 2.923 3.310 1.00 0.00 C ATOM 0 H THR A 39 20.779 -0.063 5.870 1.00 0.00 H new ATOM 0 HA THR A 39 21.121 0.580 2.996 1.00 0.00 H new ATOM 0 HB THR A 39 21.841 2.343 5.312 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.255 3.785 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.420 3.992 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.404 2.513 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.042 2.763 2.293 1.00 0.00 H new ATOM 547 N ARG A 40 23.242 -0.747 3.358 1.00 0.00 N ATOM 548 CA ARG A 40 24.548 -1.421 3.401 1.00 0.00 C ATOM 549 C ARG A 40 24.759 -2.381 4.584 1.00 0.00 C ATOM 550 O ARG A 40 25.896 -2.789 4.824 1.00 0.00 O ATOM 551 CB ARG A 40 25.689 -0.388 3.272 1.00 0.00 C ATOM 552 CG ARG A 40 25.614 0.452 1.984 1.00 0.00 C ATOM 553 CD ARG A 40 26.852 1.340 1.781 1.00 0.00 C ATOM 554 NE ARG A 40 27.017 2.338 2.859 1.00 0.00 N ATOM 555 CZ ARG A 40 27.830 2.246 3.921 1.00 0.00 C ATOM 556 NH1 ARG A 40 28.637 1.201 4.082 1.00 0.00 N ATOM 557 NH2 ARG A 40 27.825 3.204 4.842 1.00 0.00 N ATOM 0 H ARG A 40 22.748 -0.913 2.481 1.00 0.00 H new ATOM 0 HA ARG A 40 24.564 -2.084 2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.663 0.279 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.646 -0.910 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 40 25.505 -0.213 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 40 24.723 1.079 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.741 0.712 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 40 26.773 1.854 0.823 1.00 0.00 H new ATOM 0 HE ARG A 40 26.453 3.185 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.645 0.451 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.248 1.149 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 40 27.204 4.006 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 40 28.442 3.137 5.651 1.00 0.00 H new ATOM 571 N SER A 41 23.716 -2.770 5.318 1.00 0.00 N ATOM 572 CA SER A 41 23.866 -3.674 6.454 1.00 0.00 C ATOM 573 C SER A 41 23.867 -5.127 5.979 1.00 0.00 C ATOM 574 O SER A 41 23.294 -5.460 4.935 1.00 0.00 O ATOM 575 CB SER A 41 22.758 -3.429 7.482 1.00 0.00 C ATOM 576 OG SER A 41 22.866 -2.104 7.970 1.00 0.00 O ATOM 0 H SER A 41 22.756 -2.471 5.144 1.00 0.00 H new ATOM 0 HA SER A 41 24.822 -3.476 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.780 -3.583 7.026 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.842 -4.141 8.303 1.00 0.00 H new ATOM 0 HG SER A 41 22.468 -1.484 7.324 1.00 0.00 H new ATOM 582 N GLN A 42 24.489 -5.989 6.780 1.00 0.00 N ATOM 583 CA GLN A 42 24.467 -7.435 6.640 1.00 0.00 C ATOM 584 C GLN A 42 23.466 -7.971 7.665 1.00 0.00 C ATOM 585 O GLN A 42 23.529 -7.604 8.842 1.00 0.00 O ATOM 586 CB GLN A 42 25.885 -7.990 6.883 1.00 0.00 C ATOM 587 CG GLN A 42 25.995 -9.527 6.906 1.00 0.00 C ATOM 588 CD GLN A 42 25.749 -10.182 5.545 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.391 -9.845 4.555 1.00 0.00 O ATOM 590 NE2 GLN A 42 24.839 -11.137 5.456 1.00 0.00 N ATOM 0 H GLN A 42 25.045 -5.681 7.578 1.00 0.00 H new ATOM 0 HA GLN A 42 24.163 -7.743 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.546 -7.606 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.252 -7.602 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 42 26.988 -9.806 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.278 -9.923 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.308 -11.414 6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.668 -11.597 4.562 1.00 0.00 H new ATOM 599 N TYR A 43 22.603 -8.883 7.231 1.00 0.00 N ATOM 600 CA TYR A 43 21.716 -9.668 8.071 1.00 0.00 C ATOM 601 C TYR A 43 21.984 -11.129 7.737 1.00 0.00 C ATOM 602 O TYR A 43 22.029 -11.487 6.556 1.00 0.00 O ATOM 603 CB TYR A 43 20.249 -9.322 7.788 1.00 0.00 C ATOM 604 CG TYR A 43 19.767 -8.029 8.407 1.00 0.00 C ATOM 605 CD1 TYR A 43 19.519 -7.982 9.792 1.00 0.00 C ATOM 606 CD2 TYR A 43 19.513 -6.898 7.609 1.00 0.00 C ATOM 607 CE1 TYR A 43 19.019 -6.812 10.383 1.00 0.00 C ATOM 608 CE2 TYR A 43 18.997 -5.728 8.194 1.00 0.00 C ATOM 609 CZ TYR A 43 18.746 -5.680 9.585 1.00 0.00 C ATOM 610 OH TYR A 43 18.214 -4.558 10.147 1.00 0.00 O ATOM 0 H TYR A 43 22.501 -9.102 6.240 1.00 0.00 H new ATOM 0 HA TYR A 43 21.898 -9.460 9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.106 -9.266 6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.623 -10.137 8.151 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.715 -8.851 10.403 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.714 -6.929 6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 43 18.843 -6.777 11.448 1.00 0.00 H new ATOM 0 HE2 TYR A 43 18.792 -4.864 7.580 1.00 0.00 H new ATOM 0 HH TYR A 43 18.884 -4.130 10.719 1.00 0.00 H new ATOM 620 N SER A 44 22.160 -11.957 8.761 1.00 0.00 N ATOM 621 CA SER A 44 22.520 -13.354 8.613 1.00 0.00 C ATOM 622 C SER A 44 21.703 -14.163 9.621 1.00 0.00 C ATOM 623 O SER A 44 21.845 -13.975 10.829 1.00 0.00 O ATOM 624 CB SER A 44 24.027 -13.515 8.842 1.00 0.00 C ATOM 625 OG SER A 44 24.770 -12.662 7.980 1.00 0.00 O ATOM 0 H SER A 44 22.053 -11.666 9.733 1.00 0.00 H new ATOM 0 HA SER A 44 22.299 -13.717 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.267 -13.286 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.315 -14.552 8.670 1.00 0.00 H new ATOM 0 HG SER A 44 25.728 -12.783 8.147 1.00 0.00 H new ATOM 631 N ASP A 45 20.850 -15.059 9.121 1.00 0.00 N ATOM 632 CA ASP A 45 19.892 -15.865 9.882 1.00 0.00 C ATOM 633 C ASP A 45 19.108 -15.052 10.931 1.00 0.00 C ATOM 634 O ASP A 45 18.886 -15.507 12.056 1.00 0.00 O ATOM 635 CB ASP A 45 20.597 -17.104 10.458 1.00 0.00 C ATOM 636 CG ASP A 45 19.586 -18.150 10.955 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.667 -18.500 10.180 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.748 -18.685 12.075 1.00 0.00 O ATOM 0 H ASP A 45 20.806 -15.253 8.121 1.00 0.00 H new ATOM 0 HA ASP A 45 19.119 -16.213 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.235 -17.548 9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.246 -16.804 11.281 1.00 0.00 H new ATOM 643 N ALA A 46 18.713 -13.823 10.580 1.00 0.00 N ATOM 644 CA ALA A 46 18.155 -12.826 11.492 1.00 0.00 C ATOM 645 C ALA A 46 16.710 -12.463 11.129 1.00 0.00 C ATOM 646 O ALA A 46 16.199 -12.846 10.073 1.00 0.00 O ATOM 647 CB ALA A 46 19.066 -11.591 11.457 1.00 0.00 C ATOM 0 H ALA A 46 18.776 -13.487 9.619 1.00 0.00 H new ATOM 0 HA ALA A 46 18.117 -13.236 12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.672 -10.829 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.071 -11.871 11.774 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.103 -11.195 10.442 1.00 0.00 H new ATOM 653 N ASN A 47 16.037 -11.693 11.985 1.00 0.00 N ATOM 654 CA ASN A 47 14.668 -11.221 11.771 1.00 0.00 C ATOM 655 C ASN A 47 14.569 -9.764 12.194 1.00 0.00 C ATOM 656 O ASN A 47 15.198 -9.356 13.172 1.00 0.00 O ATOM 657 CB ASN A 47 13.680 -12.072 12.577 1.00 0.00 C ATOM 658 CG ASN A 47 12.226 -11.637 12.411 1.00 0.00 C ATOM 659 OD1 ASN A 47 11.806 -11.208 11.342 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.428 -11.745 13.458 1.00 0.00 N ATOM 0 H ASN A 47 16.438 -11.373 12.867 1.00 0.00 H new ATOM 0 HA ASN A 47 14.417 -11.311 10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.777 -13.114 12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.947 -12.023 13.633 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.449 -11.470 13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.791 -12.104 14.341 1.00 0.00 H new ATOM 667 N VAL A 48 13.784 -8.987 11.463 1.00 0.00 N ATOM 668 CA VAL A 48 13.728 -7.539 11.579 1.00 0.00 C ATOM 669 C VAL A 48 12.279 -7.095 11.411 1.00 0.00 C ATOM 670 O VAL A 48 11.627 -7.488 10.436 1.00 0.00 O ATOM 671 CB VAL A 48 14.611 -6.866 10.505 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.007 -5.459 10.964 1.00 0.00 C ATOM 673 CG2 VAL A 48 15.879 -7.643 10.118 1.00 0.00 C ATOM 0 H VAL A 48 13.151 -9.357 10.754 1.00 0.00 H new ATOM 0 HA VAL A 48 14.104 -7.241 12.558 1.00 0.00 H new ATOM 0 HB VAL A 48 13.993 -6.838 9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.630 -4.990 10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.109 -4.860 11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.564 -5.525 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.429 -7.087 9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.508 -7.774 10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.601 -8.620 9.722 1.00 0.00 H new ATOM 683 N LYS A 49 11.798 -6.247 12.326 1.00 0.00 N ATOM 684 CA LYS A 49 10.462 -5.667 12.265 1.00 0.00 C ATOM 685 C LYS A 49 10.557 -4.176 12.518 1.00 0.00 C ATOM 686 O LYS A 49 11.094 -3.753 13.546 1.00 0.00 O ATOM 687 CB LYS A 49 9.524 -6.327 13.287 1.00 0.00 C ATOM 688 CG LYS A 49 8.807 -7.539 12.685 1.00 0.00 C ATOM 689 CD LYS A 49 7.967 -8.311 13.716 1.00 0.00 C ATOM 690 CE LYS A 49 6.953 -7.478 14.525 1.00 0.00 C ATOM 691 NZ LYS A 49 5.859 -6.898 13.704 1.00 0.00 N ATOM 0 H LYS A 49 12.336 -5.944 13.138 1.00 0.00 H new ATOM 0 HA LYS A 49 10.044 -5.844 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.096 -6.638 14.161 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.788 -5.600 13.630 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.160 -7.206 11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.545 -8.212 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.425 -9.100 13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.646 -8.799 14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.517 -8.108 15.301 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.482 -6.670 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.063 -6.637 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.207 -6.051 13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.540 -7.599 13.005 1.00 0.00 H new ATOM 705 N LYS A 50 9.994 -3.401 11.596 1.00 0.00 N ATOM 706 CA LYS A 50 9.959 -1.941 11.575 1.00 0.00 C ATOM 707 C LYS A 50 11.202 -1.289 12.198 1.00 0.00 C ATOM 708 O LYS A 50 11.078 -0.434 13.076 1.00 0.00 O ATOM 709 CB LYS A 50 8.636 -1.478 12.219 1.00 0.00 C ATOM 710 CG LYS A 50 8.217 -0.076 11.753 1.00 0.00 C ATOM 711 CD LYS A 50 6.928 0.348 12.463 1.00 0.00 C ATOM 712 CE LYS A 50 6.505 1.750 12.002 1.00 0.00 C ATOM 713 NZ LYS A 50 5.253 2.205 12.658 1.00 0.00 N ATOM 0 H LYS A 50 9.518 -3.803 10.789 1.00 0.00 H new ATOM 0 HA LYS A 50 9.989 -1.601 10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.848 -2.190 11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.743 -1.481 13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.011 0.639 11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.065 -0.073 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.134 -0.368 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.080 0.343 13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.305 2.458 12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.366 1.748 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.007 3.156 12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.482 1.545 12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.391 2.233 13.688 1.00 0.00 H new ATOM 727 N SER A 51 12.401 -1.707 11.792 1.00 0.00 N ATOM 728 CA SER A 51 13.650 -1.219 12.370 1.00 0.00 C ATOM 729 C SER A 51 14.510 -0.624 11.267 1.00 0.00 C ATOM 730 O SER A 51 14.303 -0.934 10.096 1.00 0.00 O ATOM 731 CB SER A 51 14.371 -2.361 13.079 1.00 0.00 C ATOM 732 OG SER A 51 13.577 -2.850 14.144 1.00 0.00 O ATOM 0 H SER A 51 12.532 -2.395 11.051 1.00 0.00 H new ATOM 0 HA SER A 51 13.444 -0.443 13.107 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.580 -3.164 12.372 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.331 -2.014 13.460 1.00 0.00 H new ATOM 0 HG SER A 51 12.734 -3.201 13.789 1.00 0.00 H new ATOM 738 N VAL A 52 15.470 0.221 11.630 1.00 0.00 N ATOM 739 CA VAL A 52 16.266 0.995 10.691 1.00 0.00 C ATOM 740 C VAL A 52 17.725 0.615 10.927 1.00 0.00 C ATOM 741 O VAL A 52 18.152 0.523 12.080 1.00 0.00 O ATOM 742 CB VAL A 52 15.989 2.502 10.880 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.724 3.338 9.821 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.486 2.827 10.787 1.00 0.00 C ATOM 0 H VAL A 52 15.719 0.388 12.605 1.00 0.00 H new ATOM 0 HA VAL A 52 16.009 0.776 9.655 1.00 0.00 H new ATOM 0 HB VAL A 52 16.352 2.755 11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.510 4.395 9.979 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.798 3.169 9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.386 3.044 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.336 3.898 10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.110 2.532 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.947 2.282 11.562 1.00 0.00 H new ATOM 754 N THR A 53 18.505 0.397 9.871 1.00 0.00 N ATOM 755 CA THR A 53 19.909 0.038 10.015 1.00 0.00 C ATOM 756 C THR A 53 20.760 0.733 8.952 1.00 0.00 C ATOM 757 O THR A 53 20.323 0.923 7.811 1.00 0.00 O ATOM 758 CB THR A 53 20.047 -1.492 10.036 1.00 0.00 C ATOM 759 OG1 THR A 53 21.376 -1.870 10.308 1.00 0.00 O ATOM 760 CG2 THR A 53 19.660 -2.157 8.723 1.00 0.00 C ATOM 0 H THR A 53 18.185 0.464 8.905 1.00 0.00 H new ATOM 0 HA THR A 53 20.297 0.398 10.968 1.00 0.00 H new ATOM 0 HB THR A 53 19.362 -1.824 10.816 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.873 -1.945 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.782 -3.236 8.812 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.620 -1.928 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.300 -1.784 7.924 1.00 0.00 H new ATOM 768 N THR A 54 21.986 1.088 9.334 1.00 0.00 N ATOM 769 CA THR A 54 22.990 1.668 8.465 1.00 0.00 C ATOM 770 C THR A 54 24.320 0.978 8.778 1.00 0.00 C ATOM 771 O THR A 54 24.886 1.170 9.858 1.00 0.00 O ATOM 772 CB THR A 54 23.061 3.194 8.674 1.00 0.00 C ATOM 773 OG1 THR A 54 21.777 3.790 8.592 1.00 0.00 O ATOM 774 CG2 THR A 54 23.952 3.861 7.619 1.00 0.00 C ATOM 0 H THR A 54 22.312 0.972 10.294 1.00 0.00 H new ATOM 0 HA THR A 54 22.742 1.513 7.415 1.00 0.00 H new ATOM 0 HB THR A 54 23.479 3.346 9.669 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.856 4.757 8.730 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.981 4.936 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.961 3.455 7.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.548 3.666 6.626 1.00 0.00 H new ATOM 782 N ASP A 55 24.813 0.210 7.805 1.00 0.00 N ATOM 783 CA ASP A 55 26.099 -0.482 7.790 1.00 0.00 C ATOM 784 C ASP A 55 26.387 -1.223 9.102 1.00 0.00 C ATOM 785 O ASP A 55 27.393 -0.977 9.774 1.00 0.00 O ATOM 786 CB ASP A 55 27.207 0.485 7.353 1.00 0.00 C ATOM 787 CG ASP A 55 28.543 -0.202 7.015 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.653 -1.449 7.009 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.488 0.538 6.652 1.00 0.00 O ATOM 0 H ASP A 55 24.286 0.045 6.948 1.00 0.00 H new ATOM 0 HA ASP A 55 26.061 -1.278 7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 55 26.866 1.041 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.375 1.211 8.148 1.00 0.00 H new ATOM 794 N CYS A 56 25.466 -2.112 9.483 1.00 0.00 N ATOM 795 CA CYS A 56 25.593 -2.976 10.651 1.00 0.00 C ATOM 796 C CYS A 56 25.840 -4.425 10.218 1.00 0.00 C ATOM 797 O CYS A 56 25.699 -4.748 9.036 1.00 0.00 O ATOM 798 CB CYS A 56 24.337 -2.878 11.528 1.00 0.00 C ATOM 799 SG CYS A 56 24.112 -1.300 12.395 1.00 0.00 S ATOM 0 H CYS A 56 24.593 -2.251 8.974 1.00 0.00 H new ATOM 0 HA CYS A 56 26.448 -2.644 11.240 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.463 -3.057 10.902 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.368 -3.678 12.268 1.00 0.00 H new ATOM 804 N ASN A 57 26.156 -5.319 11.163 1.00 0.00 N ATOM 805 CA ASN A 57 26.308 -6.748 10.908 1.00 0.00 C ATOM 806 C ASN A 57 25.482 -7.450 11.966 1.00 0.00 C ATOM 807 O ASN A 57 25.834 -7.391 13.140 1.00 0.00 O ATOM 808 CB ASN A 57 27.780 -7.181 10.994 1.00 0.00 C ATOM 809 CG ASN A 57 27.901 -8.705 10.929 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.178 -9.363 10.189 1.00 0.00 O ATOM 811 ND2 ASN A 57 28.802 -9.303 11.693 1.00 0.00 N ATOM 0 H ASN A 57 26.314 -5.062 12.137 1.00 0.00 H new ATOM 0 HA ASN A 57 25.974 -7.001 9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.345 -6.731 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.218 -6.816 11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.898 -10.318 11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 57 29.400 -8.749 12.306 1.00 0.00 H new ATOM 818 N ILE A 58 24.378 -8.075 11.579 1.00 0.00 N ATOM 819 CA ILE A 58 23.390 -8.582 12.513 1.00 0.00 C ATOM 820 C ILE A 58 23.252 -10.072 12.238 1.00 0.00 C ATOM 821 O ILE A 58 22.811 -10.474 11.160 1.00 0.00 O ATOM 822 CB ILE A 58 22.095 -7.748 12.359 1.00 0.00 C ATOM 823 CG1 ILE A 58 22.372 -6.285 12.799 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.947 -8.389 13.161 1.00 0.00 C ATOM 825 CD1 ILE A 58 21.216 -5.298 12.606 1.00 0.00 C ATOM 0 H ILE A 58 24.144 -8.244 10.601 1.00 0.00 H new ATOM 0 HA ILE A 58 23.670 -8.479 13.561 1.00 0.00 H new ATOM 0 HB ILE A 58 21.783 -7.733 11.315 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.648 -6.289 13.853 1.00 0.00 H new ATOM 0 HG13 ILE A 58 23.235 -5.917 12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.043 -7.792 13.043 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.765 -9.399 12.793 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.219 -8.431 14.216 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.522 -4.309 12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.949 -5.252 11.550 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.354 -5.630 13.184 1.00 0.00 H new ATOM 837 N ASP A 59 23.652 -10.891 13.210 1.00 0.00 N ATOM 838 CA ASP A 59 23.794 -12.329 13.050 1.00 0.00 C ATOM 839 C ASP A 59 22.916 -13.029 14.078 1.00 0.00 C ATOM 840 O ASP A 59 22.953 -12.674 15.256 1.00 0.00 O ATOM 841 CB ASP A 59 25.272 -12.686 13.239 1.00 0.00 C ATOM 842 CG ASP A 59 25.474 -14.193 13.382 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.403 -14.921 12.367 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.731 -14.655 14.515 1.00 0.00 O ATOM 0 H ASP A 59 23.890 -10.563 14.146 1.00 0.00 H new ATOM 0 HA ASP A 59 23.477 -12.652 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.847 -12.321 12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.658 -12.181 14.124 1.00 0.00 H new ATOM 849 N LYS A 60 22.115 -14.007 13.647 1.00 0.00 N ATOM 850 CA LYS A 60 21.278 -14.872 14.493 1.00 0.00 C ATOM 851 C LYS A 60 20.392 -14.097 15.483 1.00 0.00 C ATOM 852 O LYS A 60 20.053 -14.624 16.544 1.00 0.00 O ATOM 853 CB LYS A 60 22.163 -15.931 15.185 1.00 0.00 C ATOM 854 CG LYS A 60 22.921 -16.819 14.185 1.00 0.00 C ATOM 855 CD LYS A 60 23.905 -17.757 14.900 1.00 0.00 C ATOM 856 CE LYS A 60 24.883 -18.401 13.906 1.00 0.00 C ATOM 857 NZ LYS A 60 25.926 -17.452 13.444 1.00 0.00 N ATOM 0 H LYS A 60 22.026 -14.230 12.656 1.00 0.00 H new ATOM 0 HA LYS A 60 20.567 -15.382 13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.880 -15.430 15.835 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.540 -16.559 15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 60 22.209 -17.408 13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.463 -16.192 13.478 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.462 -17.198 15.652 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.352 -18.535 15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 60 25.360 -19.261 14.376 1.00 0.00 H new ATOM 0 HE3 LYS A 60 24.329 -18.775 13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 26.561 -17.933 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 25.474 -16.643 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 26.474 -17.114 14.261 1.00 0.00 H new ATOM 871 N SER A 61 20.022 -12.854 15.165 1.00 0.00 N ATOM 872 CA SER A 61 19.368 -11.943 16.098 1.00 0.00 C ATOM 873 C SER A 61 17.950 -11.605 15.637 1.00 0.00 C ATOM 874 O SER A 61 17.607 -11.782 14.465 1.00 0.00 O ATOM 875 CB SER A 61 20.217 -10.674 16.237 1.00 0.00 C ATOM 876 OG SER A 61 21.504 -10.970 16.754 1.00 0.00 O ATOM 0 H SER A 61 20.172 -12.450 14.240 1.00 0.00 H new ATOM 0 HA SER A 61 19.283 -12.428 17.070 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.315 -10.191 15.265 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.712 -9.966 16.895 1.00 0.00 H new ATOM 0 HG SER A 61 21.998 -11.517 16.108 1.00 0.00 H new ATOM 882 N GLN A 62 17.140 -11.066 16.549 1.00 0.00 N ATOM 883 CA GLN A 62 15.819 -10.533 16.265 1.00 0.00 C ATOM 884 C GLN A 62 15.808 -9.067 16.687 1.00 0.00 C ATOM 885 O GLN A 62 16.324 -8.706 17.748 1.00 0.00 O ATOM 886 CB GLN A 62 14.723 -11.340 16.972 1.00 0.00 C ATOM 887 CG GLN A 62 14.688 -12.807 16.513 1.00 0.00 C ATOM 888 CD GLN A 62 13.280 -13.393 16.624 1.00 0.00 C ATOM 889 OE1 GLN A 62 12.404 -13.078 15.821 1.00 0.00 O ATOM 890 NE2 GLN A 62 13.022 -14.239 17.609 1.00 0.00 N ATOM 0 H GLN A 62 17.398 -10.989 17.533 1.00 0.00 H new ATOM 0 HA GLN A 62 15.605 -10.610 15.199 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.886 -11.303 18.049 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.754 -10.879 16.780 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.032 -12.875 15.481 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.377 -13.396 17.118 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.757 -14.493 18.269 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.088 -14.637 17.708 1.00 0.00 H new ATOM 899 N VAL A 63 15.215 -8.226 15.848 1.00 0.00 N ATOM 900 CA VAL A 63 15.292 -6.781 15.947 1.00 0.00 C ATOM 901 C VAL A 63 13.878 -6.236 15.736 1.00 0.00 C ATOM 902 O VAL A 63 13.206 -6.639 14.784 1.00 0.00 O ATOM 903 CB VAL A 63 16.283 -6.307 14.859 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.424 -4.788 14.855 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.684 -6.928 14.998 1.00 0.00 C ATOM 0 H VAL A 63 14.652 -8.544 15.059 1.00 0.00 H new ATOM 0 HA VAL A 63 15.649 -6.427 16.914 1.00 0.00 H new ATOM 0 HB VAL A 63 15.852 -6.647 13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.128 -4.490 14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.453 -4.333 14.659 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.792 -4.454 15.825 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.329 -6.553 14.203 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.107 -6.659 15.966 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.610 -8.013 14.923 1.00 0.00 H new ATOM 915 N TYR A 64 13.417 -5.331 16.604 1.00 0.00 N ATOM 916 CA TYR A 64 12.074 -4.763 16.541 1.00 0.00 C ATOM 917 C TYR A 64 12.133 -3.289 16.939 1.00 0.00 C ATOM 918 O TYR A 64 12.748 -2.975 17.959 1.00 0.00 O ATOM 919 CB TYR A 64 11.165 -5.570 17.484 1.00 0.00 C ATOM 920 CG TYR A 64 9.719 -5.110 17.608 1.00 0.00 C ATOM 921 CD1 TYR A 64 8.994 -4.665 16.484 1.00 0.00 C ATOM 922 CD2 TYR A 64 9.078 -5.177 18.861 1.00 0.00 C ATOM 923 CE1 TYR A 64 7.644 -4.289 16.605 1.00 0.00 C ATOM 924 CE2 TYR A 64 7.732 -4.794 18.994 1.00 0.00 C ATOM 925 CZ TYR A 64 7.006 -4.348 17.866 1.00 0.00 C ATOM 926 OH TYR A 64 5.701 -3.983 18.007 1.00 0.00 O ATOM 0 H TYR A 64 13.975 -4.970 17.378 1.00 0.00 H new ATOM 0 HA TYR A 64 11.669 -4.819 15.531 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.163 -6.607 17.148 1.00 0.00 H new ATOM 0 HB3 TYR A 64 11.611 -5.557 18.478 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.480 -4.612 15.521 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.625 -5.525 19.725 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.095 -3.956 15.736 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.251 -4.841 19.960 1.00 0.00 H new ATOM 0 HH TYR A 64 5.431 -4.089 18.943 1.00 0.00 H new ATOM 936 N LEU A 65 11.498 -2.385 16.176 1.00 0.00 N ATOM 937 CA LEU A 65 11.433 -0.936 16.445 1.00 0.00 C ATOM 938 C LEU A 65 12.797 -0.285 16.771 1.00 0.00 C ATOM 939 O LEU A 65 12.844 0.766 17.414 1.00 0.00 O ATOM 940 CB LEU A 65 10.381 -0.664 17.546 1.00 0.00 C ATOM 941 CG LEU A 65 8.925 -0.885 17.105 1.00 0.00 C ATOM 942 CD1 LEU A 65 8.008 -0.905 18.333 1.00 0.00 C ATOM 943 CD2 LEU A 65 8.446 0.209 16.142 1.00 0.00 C ATOM 0 H LEU A 65 10.999 -2.649 15.327 1.00 0.00 H new ATOM 0 HA LEU A 65 11.125 -0.453 15.518 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.591 -1.309 18.399 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.491 0.364 17.890 1.00 0.00 H new ATOM 0 HG LEU A 65 8.884 -1.841 16.583 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.977 -1.062 18.015 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.309 -1.714 18.999 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.084 0.046 18.860 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.413 0.014 15.855 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.510 1.180 16.634 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.075 0.211 15.252 1.00 0.00 H new ATOM 955 N THR A 66 13.910 -0.876 16.342 1.00 0.00 N ATOM 956 CA THR A 66 15.253 -0.496 16.765 1.00 0.00 C ATOM 957 C THR A 66 15.969 0.289 15.655 1.00 0.00 C ATOM 958 O THR A 66 15.567 0.249 14.491 1.00 0.00 O ATOM 959 CB THR A 66 15.948 -1.795 17.222 1.00 0.00 C ATOM 960 OG1 THR A 66 15.343 -2.209 18.435 1.00 0.00 O ATOM 961 CG2 THR A 66 17.458 -1.739 17.465 1.00 0.00 C ATOM 0 H THR A 66 13.902 -1.649 15.676 1.00 0.00 H new ATOM 0 HA THR A 66 15.258 0.198 17.605 1.00 0.00 H new ATOM 0 HB THR A 66 15.821 -2.480 16.384 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.385 -2.358 18.289 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.812 -2.720 17.781 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.964 -1.450 16.544 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.674 -1.007 18.243 1.00 0.00 H new ATOM 969 N THR A 67 17.033 1.009 16.012 1.00 0.00 N ATOM 970 CA THR A 67 17.847 1.801 15.102 1.00 0.00 C ATOM 971 C THR A 67 19.308 1.377 15.294 1.00 0.00 C ATOM 972 O THR A 67 19.800 1.363 16.423 1.00 0.00 O ATOM 973 CB THR A 67 17.620 3.298 15.388 1.00 0.00 C ATOM 974 OG1 THR A 67 16.239 3.613 15.331 1.00 0.00 O ATOM 975 CG2 THR A 67 18.344 4.192 14.375 1.00 0.00 C ATOM 0 H THR A 67 17.359 1.055 16.977 1.00 0.00 H new ATOM 0 HA THR A 67 17.573 1.633 14.060 1.00 0.00 H new ATOM 0 HB THR A 67 18.019 3.485 16.385 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.113 4.567 15.517 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.157 5.239 14.614 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.415 3.996 14.417 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.975 3.978 13.372 1.00 0.00 H new ATOM 983 N CYS A 68 20.004 1.042 14.206 1.00 0.00 N ATOM 984 CA CYS A 68 21.368 0.528 14.232 1.00 0.00 C ATOM 985 C CYS A 68 22.240 1.393 13.325 1.00 0.00 C ATOM 986 O CYS A 68 21.891 1.611 12.164 1.00 0.00 O ATOM 987 CB CYS A 68 21.365 -0.937 13.772 1.00 0.00 C ATOM 988 SG CYS A 68 22.939 -1.804 13.989 1.00 0.00 S ATOM 0 H CYS A 68 19.624 1.124 13.263 1.00 0.00 H new ATOM 0 HA CYS A 68 21.774 0.567 15.243 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.592 -1.474 14.321 1.00 0.00 H new ATOM 0 HB3 CYS A 68 21.090 -0.972 12.718 1.00 0.00 H new ATOM 993 N THR A 69 23.381 1.854 13.835 1.00 0.00 N ATOM 994 CA THR A 69 24.338 2.644 13.073 1.00 0.00 C ATOM 995 C THR A 69 25.728 2.089 13.371 1.00 0.00 C ATOM 996 O THR A 69 26.172 2.122 14.523 1.00 0.00 O ATOM 997 CB THR A 69 24.212 4.132 13.460 1.00 0.00 C ATOM 998 OG1 THR A 69 22.864 4.568 13.420 1.00 0.00 O ATOM 999 CG2 THR A 69 25.021 5.031 12.517 1.00 0.00 C ATOM 0 H THR A 69 23.667 1.686 14.800 1.00 0.00 H new ATOM 0 HA THR A 69 24.148 2.579 12.002 1.00 0.00 H new ATOM 0 HB THR A 69 24.600 4.212 14.475 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.819 5.514 13.672 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.908 6.072 12.821 1.00 0.00 H new ATOM 0 HG22 THR A 69 26.074 4.752 12.562 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.657 4.909 11.497 1.00 0.00 H new ATOM 1007 N GLY A 70 26.413 1.565 12.350 1.00 0.00 N ATOM 1008 CA GLY A 70 27.806 1.137 12.450 1.00 0.00 C ATOM 1009 C GLY A 70 28.052 0.155 13.596 1.00 0.00 C ATOM 1010 O GLY A 70 29.084 0.250 14.255 1.00 0.00 O ATOM 0 H GLY A 70 26.010 1.426 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.105 0.672 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.440 2.013 12.588 1.00 0.00 H new ATOM 1014 N SER A 71 27.099 -0.736 13.876 1.00 0.00 N ATOM 1015 CA SER A 71 27.089 -1.601 15.049 1.00 0.00 C ATOM 1016 C SER A 71 26.922 -3.060 14.621 1.00 0.00 C ATOM 1017 O SER A 71 26.736 -3.361 13.442 1.00 0.00 O ATOM 1018 CB SER A 71 25.978 -1.148 16.006 1.00 0.00 C ATOM 1019 OG SER A 71 26.234 0.158 16.478 1.00 0.00 O ATOM 0 H SER A 71 26.289 -0.877 13.272 1.00 0.00 H new ATOM 0 HA SER A 71 28.039 -1.526 15.579 1.00 0.00 H new ATOM 0 HB2 SER A 71 25.016 -1.174 15.494 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.910 -1.838 16.847 1.00 0.00 H new ATOM 0 HG SER A 71 26.180 0.792 15.732 1.00 0.00 H new ATOM 1025 N GLN A 72 27.014 -3.989 15.564 1.00 0.00 N ATOM 1026 CA GLN A 72 27.088 -5.405 15.275 1.00 0.00 C ATOM 1027 C GLN A 72 26.303 -6.155 16.340 1.00 0.00 C ATOM 1028 O GLN A 72 26.502 -5.912 17.530 1.00 0.00 O ATOM 1029 CB GLN A 72 28.575 -5.786 15.216 1.00 0.00 C ATOM 1030 CG GLN A 72 28.847 -7.292 15.169 1.00 0.00 C ATOM 1031 CD GLN A 72 30.291 -7.573 14.756 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.531 -8.186 13.717 1.00 0.00 O ATOM 1033 NE2 GLN A 72 31.275 -7.125 15.520 1.00 0.00 N ATOM 0 H GLN A 72 27.039 -3.772 16.560 1.00 0.00 H new ATOM 0 HA GLN A 72 26.642 -5.669 14.316 1.00 0.00 H new ATOM 0 HB2 GLN A 72 29.020 -5.322 14.336 1.00 0.00 H new ATOM 0 HB3 GLN A 72 29.079 -5.366 16.087 1.00 0.00 H new ATOM 0 HG2 GLN A 72 28.652 -7.731 16.147 1.00 0.00 H new ATOM 0 HG3 GLN A 72 28.164 -7.767 14.465 1.00 0.00 H new ATOM 0 HE21 GLN A 72 31.063 -6.618 16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 72 32.245 -7.287 15.249 1.00 0.00 H new ATOM 1042 N TYR A 73 25.430 -7.072 15.925 1.00 0.00 N ATOM 1043 CA TYR A 73 24.642 -7.901 16.832 1.00 0.00 C ATOM 1044 C TYR A 73 24.985 -9.360 16.543 1.00 0.00 C ATOM 1045 O TYR A 73 25.106 -9.733 15.375 1.00 0.00 O ATOM 1046 CB TYR A 73 23.131 -7.703 16.621 1.00 0.00 C ATOM 1047 CG TYR A 73 22.515 -6.312 16.731 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.172 -5.236 17.365 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.232 -6.106 16.187 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.587 -3.958 17.382 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.637 -4.834 16.208 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.317 -3.748 16.798 1.00 0.00 C ATOM 1053 OH TYR A 73 20.731 -2.522 16.803 1.00 0.00 O ATOM 0 H TYR A 73 25.249 -7.261 14.939 1.00 0.00 H new ATOM 0 HA TYR A 73 24.878 -7.620 17.859 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.891 -8.085 15.629 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.618 -8.341 17.341 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.129 -5.395 17.839 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.699 -6.937 15.748 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.110 -3.133 17.843 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.660 -4.687 15.773 1.00 0.00 H new ATOM 0 HH TYR A 73 21.405 -1.838 16.998 1.00 0.00 H new ATOM 1063 N ASN A 74 25.091 -10.196 17.575 1.00 0.00 N ATOM 1064 CA ASN A 74 25.219 -11.644 17.428 1.00 0.00 C ATOM 1065 C ASN A 74 24.353 -12.334 18.485 1.00 0.00 C ATOM 1066 O ASN A 74 24.629 -12.221 19.679 1.00 0.00 O ATOM 1067 CB ASN A 74 26.693 -12.070 17.567 1.00 0.00 C ATOM 1068 CG ASN A 74 26.847 -13.529 18.004 1.00 0.00 C ATOM 1069 OD1 ASN A 74 27.297 -13.807 19.112 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.481 -14.499 17.182 1.00 0.00 N ATOM 0 H ASN A 74 25.090 -9.883 18.546 1.00 0.00 H new ATOM 0 HA ASN A 74 24.878 -11.941 16.436 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.200 -11.925 16.613 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.187 -11.424 18.292 1.00 0.00 H new ATOM 0 HD21 ASN A 74 26.573 -15.473 17.470 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.107 -14.273 16.261 1.00 0.00 H new ATOM 1077 N GLY A 75 23.336 -13.080 18.056 1.00 0.00 N ATOM 1078 CA GLY A 75 22.498 -13.885 18.933 1.00 0.00 C ATOM 1079 C GLY A 75 21.730 -13.059 19.965 1.00 0.00 C ATOM 1080 O GLY A 75 21.696 -13.454 21.133 1.00 0.00 O ATOM 0 H GLY A 75 23.070 -13.141 17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.788 -14.448 18.328 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.122 -14.613 19.452 1.00 0.00 H new ATOM 1084 N ILE A 76 21.144 -11.919 19.578 1.00 0.00 N ATOM 1085 CA ILE A 76 20.450 -11.028 20.514 1.00 0.00 C ATOM 1086 C ILE A 76 18.982 -10.841 20.120 1.00 0.00 C ATOM 1087 O ILE A 76 18.583 -11.098 18.986 1.00 0.00 O ATOM 1088 CB ILE A 76 21.191 -9.669 20.682 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.755 -8.569 19.682 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.726 -9.832 20.664 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.435 -7.212 19.916 1.00 0.00 C ATOM 0 H ILE A 76 21.138 -11.590 18.612 1.00 0.00 H new ATOM 0 HA ILE A 76 20.462 -11.509 21.492 1.00 0.00 H new ATOM 0 HB ILE A 76 20.885 -9.323 21.669 1.00 0.00 H new ATOM 0 HG12 ILE A 76 20.975 -8.905 18.669 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.675 -8.439 19.747 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.197 -8.856 20.784 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.032 -10.486 21.481 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.034 -10.269 19.714 1.00 0.00 H new ATOM 0 HD11 ILE A 76 21.079 -6.494 19.177 1.00 0.00 H new ATOM 0 HD12 ILE A 76 21.195 -6.852 20.916 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.515 -7.325 19.821 1.00 0.00 H new ATOM 1103 N TYR A 77 18.191 -10.330 21.054 1.00 0.00 N ATOM 1104 CA TYR A 77 16.839 -9.849 20.862 1.00 0.00 C ATOM 1105 C TYR A 77 16.921 -8.389 21.285 1.00 0.00 C ATOM 1106 O TYR A 77 17.392 -8.106 22.391 1.00 0.00 O ATOM 1107 CB TYR A 77 15.846 -10.632 21.734 1.00 0.00 C ATOM 1108 CG TYR A 77 14.456 -10.017 21.754 1.00 0.00 C ATOM 1109 CD1 TYR A 77 14.136 -9.017 22.696 1.00 0.00 C ATOM 1110 CD2 TYR A 77 13.493 -10.415 20.807 1.00 0.00 C ATOM 1111 CE1 TYR A 77 12.867 -8.413 22.688 1.00 0.00 C ATOM 1112 CE2 TYR A 77 12.220 -9.817 20.795 1.00 0.00 C ATOM 1113 CZ TYR A 77 11.901 -8.809 21.735 1.00 0.00 C ATOM 1114 OH TYR A 77 10.672 -8.222 21.736 1.00 0.00 O ATOM 0 H TYR A 77 18.499 -10.237 22.022 1.00 0.00 H new ATOM 0 HA TYR A 77 16.482 -9.971 19.839 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.778 -11.656 21.367 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.229 -10.683 22.753 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.870 -8.714 23.428 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.733 -11.183 20.087 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.630 -7.646 23.410 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.485 -10.128 20.067 1.00 0.00 H new ATOM 0 HH TYR A 77 10.126 -8.605 21.018 1.00 0.00 H new ATOM 1124 N ILE A 78 16.506 -7.458 20.431 1.00 0.00 N ATOM 1125 CA ILE A 78 16.587 -6.038 20.742 1.00 0.00 C ATOM 1126 C ILE A 78 15.306 -5.344 20.288 1.00 0.00 C ATOM 1127 O ILE A 78 14.821 -5.570 19.174 1.00 0.00 O ATOM 1128 CB ILE A 78 17.901 -5.441 20.193 1.00 0.00 C ATOM 1129 CG1 ILE A 78 18.030 -3.967 20.622 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.059 -5.618 18.674 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.453 -3.413 20.481 1.00 0.00 C ATOM 0 H ILE A 78 16.109 -7.665 19.515 1.00 0.00 H new ATOM 0 HA ILE A 78 16.642 -5.872 21.818 1.00 0.00 H new ATOM 0 HB ILE A 78 18.724 -6.005 20.632 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.351 -3.361 20.022 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.711 -3.869 21.660 1.00 0.00 H new ATOM 0 HG21 ILE A 78 19.002 -5.177 18.352 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.053 -6.680 18.429 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.234 -5.123 18.162 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.471 -2.371 20.800 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.133 -3.995 21.103 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.768 -3.479 19.439 1.00 0.00 H new ATOM 1143 N ARG A 79 14.739 -4.527 21.181 1.00 0.00 N ATOM 1144 CA ARG A 79 13.421 -3.938 21.023 1.00 0.00 C ATOM 1145 C ARG A 79 13.508 -2.448 21.317 1.00 0.00 C ATOM 1146 O ARG A 79 14.046 -2.061 22.355 1.00 0.00 O ATOM 1147 CB ARG A 79 12.469 -4.674 21.979 1.00 0.00 C ATOM 1148 CG ARG A 79 11.102 -3.995 22.155 1.00 0.00 C ATOM 1149 CD ARG A 79 10.127 -4.893 22.926 1.00 0.00 C ATOM 1150 NE ARG A 79 10.649 -5.287 24.247 1.00 0.00 N ATOM 1151 CZ ARG A 79 10.046 -6.090 25.128 1.00 0.00 C ATOM 1152 NH1 ARG A 79 8.834 -6.589 24.890 1.00 0.00 N ATOM 1153 NH2 ARG A 79 10.682 -6.381 26.255 1.00 0.00 N ATOM 0 H ARG A 79 15.200 -4.256 22.050 1.00 0.00 H new ATOM 0 HA ARG A 79 13.041 -4.042 20.007 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.313 -5.688 21.609 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.947 -4.760 22.955 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.228 -3.052 22.686 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.684 -3.756 21.177 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.180 -4.370 23.054 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.920 -5.788 22.339 1.00 0.00 H new ATOM 0 HE ARG A 79 11.558 -4.910 24.514 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.349 -6.360 24.022 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.391 -7.200 25.576 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.609 -5.994 26.432 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.244 -6.992 26.945 1.00 0.00 H new ATOM 1167 N SER A 80 12.938 -1.622 20.445 1.00 0.00 N ATOM 1168 CA SER A 80 12.733 -0.195 20.660 1.00 0.00 C ATOM 1169 C SER A 80 14.004 0.561 21.088 1.00 0.00 C ATOM 1170 O SER A 80 13.914 1.532 21.843 1.00 0.00 O ATOM 1171 CB SER A 80 11.570 -0.031 21.648 1.00 0.00 C ATOM 1172 OG SER A 80 10.427 -0.746 21.198 1.00 0.00 O ATOM 0 H SER A 80 12.595 -1.939 19.538 1.00 0.00 H new ATOM 0 HA SER A 80 12.477 0.273 19.709 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.868 -0.393 22.632 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.325 1.025 21.758 1.00 0.00 H new ATOM 0 HG SER A 80 9.696 -0.632 21.841 1.00 0.00 H new ATOM 1178 N SER A 81 15.187 0.120 20.646 1.00 0.00 N ATOM 1179 CA SER A 81 16.472 0.611 21.144 1.00 0.00 C ATOM 1180 C SER A 81 17.282 1.302 20.039 1.00 0.00 C ATOM 1181 O SER A 81 16.889 1.298 18.871 1.00 0.00 O ATOM 1182 CB SER A 81 17.236 -0.569 21.757 1.00 0.00 C ATOM 1183 OG SER A 81 16.541 -1.098 22.875 1.00 0.00 O ATOM 0 H SER A 81 15.278 -0.596 19.925 1.00 0.00 H new ATOM 0 HA SER A 81 16.301 1.369 21.909 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.372 -1.348 21.007 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.230 -0.244 22.063 1.00 0.00 H new ATOM 0 HG SER A 81 15.671 -1.445 22.585 1.00 0.00 H new ATOM 1189 N THR A 82 18.427 1.885 20.395 1.00 0.00 N ATOM 1190 CA THR A 82 19.339 2.544 19.469 1.00 0.00 C ATOM 1191 C THR A 82 20.763 2.087 19.797 1.00 0.00 C ATOM 1192 O THR A 82 21.141 2.054 20.971 1.00 0.00 O ATOM 1193 CB THR A 82 19.176 4.072 19.585 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.828 4.453 19.372 1.00 0.00 O ATOM 1195 CG2 THR A 82 20.038 4.831 18.569 1.00 0.00 C ATOM 0 H THR A 82 18.751 1.911 21.362 1.00 0.00 H new ATOM 0 HA THR A 82 19.117 2.275 18.436 1.00 0.00 H new ATOM 0 HB THR A 82 19.498 4.331 20.594 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.747 5.426 19.452 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.887 5.903 18.693 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.089 4.592 18.733 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.752 4.538 17.559 1.00 0.00 H new ATOM 1203 N THR A 83 21.563 1.753 18.785 1.00 0.00 N ATOM 1204 CA THR A 83 22.927 1.272 18.972 1.00 0.00 C ATOM 1205 C THR A 83 23.844 1.990 17.982 1.00 0.00 C ATOM 1206 O THR A 83 23.533 2.048 16.785 1.00 0.00 O ATOM 1207 CB THR A 83 22.965 -0.259 18.807 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.482 -0.640 17.536 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.103 -0.984 19.844 1.00 0.00 C ATOM 0 H THR A 83 21.279 1.810 17.807 1.00 0.00 H new ATOM 0 HA THR A 83 23.281 1.494 19.979 1.00 0.00 H new ATOM 0 HB THR A 83 24.010 -0.541 18.937 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.119 -1.253 17.114 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.166 -2.060 19.682 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.462 -0.746 20.845 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.066 -0.662 19.744 1.00 0.00 H new ATOM 1217 N THR A 84 24.966 2.521 18.471 1.00 0.00 N ATOM 1218 CA THR A 84 25.906 3.294 17.674 1.00 0.00 C ATOM 1219 C THR A 84 27.322 2.783 17.953 1.00 0.00 C ATOM 1220 O THR A 84 27.752 2.730 19.108 1.00 0.00 O ATOM 1221 CB THR A 84 25.755 4.792 18.001 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.393 5.189 18.004 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.490 5.667 16.979 1.00 0.00 C ATOM 0 H THR A 84 25.247 2.422 19.447 1.00 0.00 H new ATOM 0 HA THR A 84 25.702 3.173 16.610 1.00 0.00 H new ATOM 0 HB THR A 84 26.187 4.930 18.992 1.00 0.00 H new ATOM 0 HG1 THR A 84 24.331 6.144 18.216 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.362 6.717 17.241 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.551 5.418 16.984 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.080 5.488 15.985 1.00 0.00 H new ATOM 1231 N GLY A 85 28.059 2.430 16.898 1.00 0.00 N ATOM 1232 CA GLY A 85 29.463 2.055 16.977 1.00 0.00 C ATOM 1233 C GLY A 85 29.763 0.933 17.970 1.00 0.00 C ATOM 1234 O GLY A 85 30.818 0.994 18.600 1.00 0.00 O ATOM 0 H GLY A 85 27.685 2.398 15.949 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.800 1.747 15.987 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.046 2.934 17.253 1.00 0.00 H new ATOM 1238 N THR A 86 28.889 -0.060 18.161 1.00 0.00 N ATOM 1239 CA THR A 86 29.028 -1.033 19.252 1.00 0.00 C ATOM 1240 C THR A 86 28.790 -2.464 18.760 1.00 0.00 C ATOM 1241 O THR A 86 28.010 -2.680 17.835 1.00 0.00 O ATOM 1242 CB THR A 86 28.078 -0.596 20.390 1.00 0.00 C ATOM 1243 OG1 THR A 86 28.205 -1.375 21.561 1.00 0.00 O ATOM 1244 CG2 THR A 86 26.590 -0.578 20.020 1.00 0.00 C ATOM 0 H THR A 86 28.072 -0.213 17.570 1.00 0.00 H new ATOM 0 HA THR A 86 30.047 -1.046 19.638 1.00 0.00 H new ATOM 0 HB THR A 86 28.408 0.426 20.574 1.00 0.00 H new ATOM 0 HG1 THR A 86 29.138 -1.655 21.668 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.005 -0.259 20.882 1.00 0.00 H new ATOM 0 HG22 THR A 86 26.429 0.116 19.195 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.278 -1.578 19.719 1.00 0.00 H new ATOM 1252 N SER A 87 29.448 -3.444 19.383 1.00 0.00 N ATOM 1253 CA SER A 87 29.164 -4.858 19.184 1.00 0.00 C ATOM 1254 C SER A 87 28.404 -5.350 20.413 1.00 0.00 C ATOM 1255 O SER A 87 28.742 -4.975 21.539 1.00 0.00 O ATOM 1256 CB SER A 87 30.453 -5.663 18.999 1.00 0.00 C ATOM 1257 OG SER A 87 31.142 -5.260 17.832 1.00 0.00 O ATOM 0 H SER A 87 30.202 -3.271 20.048 1.00 0.00 H new ATOM 0 HA SER A 87 28.570 -4.994 18.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.096 -5.530 19.869 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.216 -6.725 18.937 1.00 0.00 H new ATOM 0 HG SER A 87 32.032 -5.669 17.820 1.00 0.00 H new ATOM 1263 N ILE A 88 27.394 -6.192 20.207 1.00 0.00 N ATOM 1264 CA ILE A 88 26.533 -6.715 21.255 1.00 0.00 C ATOM 1265 C ILE A 88 26.329 -8.198 20.948 1.00 0.00 C ATOM 1266 O ILE A 88 25.949 -8.564 19.831 1.00 0.00 O ATOM 1267 CB ILE A 88 25.193 -5.941 21.312 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.398 -4.406 21.360 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.378 -6.418 22.528 1.00 0.00 C ATOM 1270 CD1 ILE A 88 24.102 -3.599 21.484 1.00 0.00 C ATOM 0 H ILE A 88 27.148 -6.537 19.279 1.00 0.00 H new ATOM 0 HA ILE A 88 26.985 -6.592 22.239 1.00 0.00 H new ATOM 0 HB ILE A 88 24.645 -6.153 20.394 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.045 -4.164 22.203 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.922 -4.093 20.457 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.434 -5.874 22.570 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.178 -7.485 22.436 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.944 -6.233 23.441 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.337 -2.535 21.511 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.460 -3.807 20.628 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.585 -3.880 22.402 1.00 0.00 H new ATOM 1282 N SER A 89 26.571 -9.041 21.946 1.00 0.00 N ATOM 1283 CA SER A 89 26.569 -10.490 21.821 1.00 0.00 C ATOM 1284 C SER A 89 25.885 -11.109 23.043 1.00 0.00 C ATOM 1285 O SER A 89 25.645 -10.419 24.038 1.00 0.00 O ATOM 1286 CB SER A 89 28.016 -10.989 21.679 1.00 0.00 C ATOM 1287 OG SER A 89 28.695 -10.336 20.615 1.00 0.00 O ATOM 0 H SER A 89 26.780 -8.723 22.892 1.00 0.00 H new ATOM 0 HA SER A 89 26.013 -10.790 20.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.553 -10.819 22.612 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.014 -12.065 21.504 1.00 0.00 H new ATOM 0 HG SER A 89 29.612 -10.676 20.554 1.00 0.00 H new ATOM 1321 N CYS A 93 21.054 -12.814 24.468 1.00 0.00 N ATOM 1322 CA CYS A 93 21.022 -11.433 24.924 1.00 0.00 C ATOM 1323 C CYS A 93 19.653 -10.839 24.612 1.00 0.00 C ATOM 1324 O CYS A 93 19.070 -11.133 23.570 1.00 0.00 O ATOM 1325 CB CYS A 93 22.157 -10.684 24.213 1.00 0.00 C ATOM 1326 SG CYS A 93 22.105 -8.873 24.226 1.00 0.00 S ATOM 0 HA CYS A 93 21.172 -11.354 26.001 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.099 -10.996 24.663 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.176 -11.012 23.174 1.00 0.00 H new ATOM 1331 N SER A 94 19.163 -9.983 25.500 1.00 0.00 N ATOM 1332 CA SER A 94 17.849 -9.373 25.439 1.00 0.00 C ATOM 1333 C SER A 94 18.008 -7.914 25.862 1.00 0.00 C ATOM 1334 O SER A 94 18.566 -7.648 26.929 1.00 0.00 O ATOM 1335 CB SER A 94 16.933 -10.133 26.402 1.00 0.00 C ATOM 1336 OG SER A 94 16.710 -11.465 25.964 1.00 0.00 O ATOM 0 H SER A 94 19.697 -9.685 26.316 1.00 0.00 H new ATOM 0 HA SER A 94 17.415 -9.413 24.440 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.379 -10.146 27.397 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.979 -9.612 26.487 1.00 0.00 H new ATOM 0 HG SER A 94 16.123 -11.925 26.600 1.00 0.00 H new ATOM 1342 N ILE A 95 17.542 -6.973 25.036 1.00 0.00 N ATOM 1343 CA ILE A 95 17.665 -5.536 25.267 1.00 0.00 C ATOM 1344 C ILE A 95 16.328 -4.893 24.899 1.00 0.00 C ATOM 1345 O ILE A 95 15.722 -5.251 23.884 1.00 0.00 O ATOM 1346 CB ILE A 95 18.846 -4.947 24.450 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.163 -5.669 24.823 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.962 -3.419 24.641 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.453 -5.045 24.286 1.00 0.00 C ATOM 0 H ILE A 95 17.057 -7.198 24.167 1.00 0.00 H new ATOM 0 HA ILE A 95 17.889 -5.328 26.313 1.00 0.00 H new ATOM 0 HB ILE A 95 18.650 -5.117 23.391 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.232 -5.715 25.910 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.104 -6.696 24.463 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.799 -3.042 24.054 1.00 0.00 H new ATOM 0 HG22 ILE A 95 18.041 -2.940 24.309 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.128 -3.196 25.695 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.307 -5.638 24.612 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.421 -5.024 23.197 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.551 -4.028 24.666 1.00 0.00 H new ATOM 1361 N SER A 96 15.875 -3.932 25.702 1.00 0.00 N ATOM 1362 CA SER A 96 14.683 -3.146 25.420 1.00 0.00 C ATOM 1363 C SER A 96 14.922 -1.684 25.790 1.00 0.00 C ATOM 1364 O SER A 96 15.582 -1.394 26.794 1.00 0.00 O ATOM 1365 CB SER A 96 13.482 -3.708 26.188 1.00 0.00 C ATOM 1366 OG SER A 96 13.163 -5.015 25.736 1.00 0.00 O ATOM 0 H SER A 96 16.334 -3.677 26.577 1.00 0.00 H new ATOM 0 HA SER A 96 14.465 -3.204 24.354 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.705 -3.731 27.255 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.621 -3.052 26.057 1.00 0.00 H new ATOM 0 HG SER A 96 13.533 -5.676 26.358 1.00 0.00 H new ATOM 1372 N THR A 97 14.336 -0.794 24.983 1.00 0.00 N ATOM 1373 CA THR A 97 14.222 0.649 25.205 1.00 0.00 C ATOM 1374 C THR A 97 15.533 1.309 25.672 1.00 0.00 C ATOM 1375 O THR A 97 15.523 2.196 26.528 1.00 0.00 O ATOM 1376 CB THR A 97 12.978 0.945 26.076 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.868 0.062 27.173 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.683 0.779 25.276 1.00 0.00 C ATOM 0 H THR A 97 13.903 -1.080 24.105 1.00 0.00 H new ATOM 0 HA THR A 97 14.054 1.140 24.246 1.00 0.00 H new ATOM 0 HB THR A 97 13.111 1.971 26.419 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.627 0.197 27.779 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.829 0.994 25.918 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.686 1.469 24.432 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.611 -0.244 24.908 1.00 0.00 H new ATOM 1386 N CYS A 98 16.672 0.881 25.116 1.00 0.00 N ATOM 1387 CA CYS A 98 17.996 1.326 25.528 1.00 0.00 C ATOM 1388 C CYS A 98 18.653 2.159 24.421 1.00 0.00 C ATOM 1389 O CYS A 98 18.273 2.068 23.253 1.00 0.00 O ATOM 1390 CB CYS A 98 18.848 0.097 25.874 1.00 0.00 C ATOM 1391 SG CYS A 98 20.314 0.481 26.866 1.00 0.00 S ATOM 0 H CYS A 98 16.693 0.203 24.354 1.00 0.00 H new ATOM 0 HA CYS A 98 17.912 1.962 26.409 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.232 -0.620 26.416 1.00 0.00 H new ATOM 0 HB3 CYS A 98 19.163 -0.387 24.950 1.00 0.00 H new ATOM 1396 N THR A 99 19.698 2.905 24.773 1.00 0.00 N ATOM 1397 CA THR A 99 20.555 3.620 23.839 1.00 0.00 C ATOM 1398 C THR A 99 21.979 3.231 24.230 1.00 0.00 C ATOM 1399 O THR A 99 22.318 3.285 25.416 1.00 0.00 O ATOM 1400 CB THR A 99 20.275 5.133 23.924 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.909 5.383 23.640 1.00 0.00 O ATOM 1402 CG2 THR A 99 21.132 5.933 22.936 1.00 0.00 C ATOM 0 H THR A 99 19.977 3.030 25.746 1.00 0.00 H new ATOM 0 HA THR A 99 20.378 3.362 22.795 1.00 0.00 H new ATOM 0 HB THR A 99 20.526 5.452 24.936 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.734 6.346 23.696 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.901 6.994 23.031 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.187 5.770 23.155 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.917 5.604 21.919 1.00 0.00 H new ATOM 1410 N ILE A 100 22.796 2.791 23.273 1.00 0.00 N ATOM 1411 CA ILE A 100 24.099 2.187 23.541 1.00 0.00 C ATOM 1412 C ILE A 100 25.085 2.780 22.536 1.00 0.00 C ATOM 1413 O ILE A 100 24.792 2.828 21.339 1.00 0.00 O ATOM 1414 CB ILE A 100 24.005 0.641 23.430 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.855 0.058 24.295 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.345 -0.009 23.828 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.611 -1.445 24.133 1.00 0.00 C ATOM 0 H ILE A 100 22.569 2.845 22.280 1.00 0.00 H new ATOM 0 HA ILE A 100 24.440 2.402 24.554 1.00 0.00 H new ATOM 0 HB ILE A 100 23.783 0.408 22.389 1.00 0.00 H new ATOM 0 HG12 ILE A 100 23.071 0.263 25.343 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.934 0.587 24.050 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.263 -1.093 23.745 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.133 0.347 23.165 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.588 0.259 24.856 1.00 0.00 H new ATOM 0 HD11 ILE A 100 21.789 -1.752 24.779 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.358 -1.663 23.095 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.513 -1.992 24.409 1.00 0.00 H new ATOM 1429 N THR A 101 26.257 3.202 23.011 1.00 0.00 N ATOM 1430 CA THR A 101 27.284 3.836 22.195 1.00 0.00 C ATOM 1431 C THR A 101 28.630 3.206 22.557 1.00 0.00 C ATOM 1432 O THR A 101 29.013 3.213 23.726 1.00 0.00 O ATOM 1433 CB THR A 101 27.262 5.359 22.430 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.959 5.882 22.232 1.00 0.00 O ATOM 1435 CG2 THR A 101 28.207 6.103 21.481 1.00 0.00 C ATOM 0 H THR A 101 26.521 3.110 23.992 1.00 0.00 H new ATOM 0 HA THR A 101 27.104 3.678 21.132 1.00 0.00 H new ATOM 0 HB THR A 101 27.587 5.510 23.459 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.968 6.850 22.388 1.00 0.00 H new ATOM 0 HG21 THR A 101 28.158 7.173 21.684 1.00 0.00 H new ATOM 0 HG22 THR A 101 29.227 5.751 21.634 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.909 5.915 20.450 1.00 0.00 H new ATOM 1443 N ARG A 102 29.344 2.653 21.566 1.00 0.00 N ATOM 1444 CA ARG A 102 30.682 2.045 21.696 1.00 0.00 C ATOM 1445 C ARG A 102 30.854 1.178 22.957 1.00 0.00 C ATOM 1446 O ARG A 102 31.882 1.245 23.631 1.00 0.00 O ATOM 1447 CB ARG A 102 31.773 3.132 21.567 1.00 0.00 C ATOM 1448 CG ARG A 102 31.648 3.955 20.271 1.00 0.00 C ATOM 1449 CD ARG A 102 32.921 4.733 19.897 1.00 0.00 C ATOM 1450 NE ARG A 102 34.102 3.871 19.670 1.00 0.00 N ATOM 1451 CZ ARG A 102 34.277 2.978 18.684 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.345 2.741 17.772 1.00 0.00 N ATOM 1453 NH2 ARG A 102 35.395 2.272 18.592 1.00 0.00 N ATOM 0 H ARG A 102 28.992 2.614 20.609 1.00 0.00 H new ATOM 0 HA ARG A 102 30.796 1.341 20.871 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.714 3.802 22.424 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.755 2.660 21.598 1.00 0.00 H new ATOM 0 HG2 ARG A 102 31.390 3.285 19.451 1.00 0.00 H new ATOM 0 HG3 ARG A 102 30.823 4.659 20.378 1.00 0.00 H new ATOM 0 HD2 ARG A 102 32.729 5.315 18.995 1.00 0.00 H new ATOM 0 HD3 ARG A 102 33.148 5.443 20.692 1.00 0.00 H new ATOM 0 HE ARG A 102 34.868 3.966 20.337 1.00 0.00 H new ATOM 0 HH11 ARG A 102 32.459 3.245 17.805 1.00 0.00 H new ATOM 0 HH12 ARG A 102 33.514 2.054 17.037 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.139 2.403 19.277 1.00 0.00 H new ATOM 0 HH22 ARG A 102 35.511 1.597 17.836 1.00 0.00 H new ATOM 1467 N GLY A 103 29.850 0.361 23.287 1.00 0.00 N ATOM 1468 CA GLY A 103 29.919 -0.612 24.374 1.00 0.00 C ATOM 1469 C GLY A 103 29.403 -0.072 25.707 1.00 0.00 C ATOM 1470 O GLY A 103 29.399 -0.814 26.690 1.00 0.00 O ATOM 0 H GLY A 103 28.955 0.359 22.798 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.340 -1.494 24.099 1.00 0.00 H new ATOM 0 HA3 GLY A 103 30.953 -0.935 24.497 1.00 0.00 H new ATOM 1474 N VAL A 104 28.954 1.185 25.760 1.00 0.00 N ATOM 1475 CA VAL A 104 28.470 1.836 26.969 1.00 0.00 C ATOM 1476 C VAL A 104 26.971 2.056 26.777 1.00 0.00 C ATOM 1477 O VAL A 104 26.553 2.811 25.896 1.00 0.00 O ATOM 1478 CB VAL A 104 29.257 3.145 27.218 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.842 3.797 28.545 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.777 2.901 27.257 1.00 0.00 C ATOM 0 H VAL A 104 28.918 1.789 24.939 1.00 0.00 H new ATOM 0 HA VAL A 104 28.627 1.228 27.860 1.00 0.00 H new ATOM 0 HB VAL A 104 29.019 3.807 26.386 1.00 0.00 H new ATOM 0 HG11 VAL A 104 29.411 4.715 28.693 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.778 4.031 28.518 1.00 0.00 H new ATOM 0 HG13 VAL A 104 29.042 3.109 29.367 1.00 0.00 H new ATOM 0 HG21 VAL A 104 31.293 3.845 27.434 1.00 0.00 H new ATOM 0 HG22 VAL A 104 31.013 2.203 28.060 1.00 0.00 H new ATOM 0 HG23 VAL A 104 31.103 2.482 26.305 1.00 0.00 H new ATOM 1490 N ALA A 105 26.153 1.357 27.569 1.00 0.00 N ATOM 1491 CA ALA A 105 24.723 1.618 27.646 1.00 0.00 C ATOM 1492 C ALA A 105 24.499 2.940 28.388 1.00 0.00 C ATOM 1493 O ALA A 105 25.219 3.255 29.340 1.00 0.00 O ATOM 1494 CB ALA A 105 24.024 0.460 28.361 1.00 0.00 C ATOM 0 H ALA A 105 26.468 0.597 28.172 1.00 0.00 H new ATOM 0 HA ALA A 105 24.300 1.700 26.645 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.954 0.659 28.416 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.193 -0.464 27.808 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.427 0.358 29.369 1.00 0.00 H new ATOM 1548 N ALA A 110 14.880 3.645 31.418 1.00 0.00 N ATOM 1549 CA ALA A 110 14.222 3.059 30.258 1.00 0.00 C ATOM 1550 C ALA A 110 15.004 1.857 29.715 1.00 0.00 C ATOM 1551 O ALA A 110 14.383 0.913 29.225 1.00 0.00 O ATOM 1552 CB ALA A 110 14.058 4.120 29.165 1.00 0.00 C ATOM 0 HA ALA A 110 13.240 2.702 30.569 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.565 3.677 28.299 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.453 4.943 29.545 1.00 0.00 H new ATOM 0 HB3 ALA A 110 15.039 4.495 28.872 1.00 0.00 H new ATOM 1558 N CYS A 111 16.336 1.862 29.816 1.00 0.00 N ATOM 1559 CA CYS A 111 17.165 0.783 29.302 1.00 0.00 C ATOM 1560 C CYS A 111 16.977 -0.480 30.148 1.00 0.00 C ATOM 1561 O CYS A 111 17.082 -0.428 31.377 1.00 0.00 O ATOM 1562 CB CYS A 111 18.641 1.214 29.341 1.00 0.00 C ATOM 1563 SG CYS A 111 19.809 -0.049 28.765 1.00 0.00 S ATOM 0 H CYS A 111 16.864 2.616 30.257 1.00 0.00 H new ATOM 0 HA CYS A 111 16.871 0.565 28.275 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.762 2.108 28.729 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.899 1.490 30.363 1.00 0.00 H new ATOM 1568 N LYS A 112 16.762 -1.624 29.491 1.00 0.00 N ATOM 1569 CA LYS A 112 16.792 -2.953 30.101 1.00 0.00 C ATOM 1570 C LYS A 112 17.761 -3.774 29.258 1.00 0.00 C ATOM 1571 O LYS A 112 17.719 -3.685 28.030 1.00 0.00 O ATOM 1572 CB LYS A 112 15.410 -3.636 30.119 1.00 0.00 C ATOM 1573 CG LYS A 112 14.485 -3.238 31.284 1.00 0.00 C ATOM 1574 CD LYS A 112 13.745 -1.901 31.142 1.00 0.00 C ATOM 1575 CE LYS A 112 12.829 -1.884 29.910 1.00 0.00 C ATOM 1576 NZ LYS A 112 12.041 -0.634 29.823 1.00 0.00 N ATOM 0 H LYS A 112 16.557 -1.650 28.492 1.00 0.00 H new ATOM 0 HA LYS A 112 17.098 -2.874 31.144 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.901 -3.411 29.182 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.559 -4.715 30.149 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.744 -4.026 31.416 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.080 -3.204 32.196 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.152 -1.717 32.038 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.470 -1.091 31.067 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.431 -1.996 29.009 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.152 -2.737 29.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.033 -0.848 29.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.361 0.030 30.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.175 -0.204 28.886 1.00 0.00 H new ATOM 1590 N ILE A 113 18.605 -4.569 29.911 1.00 0.00 N ATOM 1591 CA ILE A 113 19.593 -5.461 29.308 1.00 0.00 C ATOM 1592 C ILE A 113 19.570 -6.723 30.178 1.00 0.00 C ATOM 1593 O ILE A 113 19.456 -6.623 31.405 1.00 0.00 O ATOM 1594 CB ILE A 113 20.993 -4.781 29.289 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.023 -3.621 28.267 1.00 0.00 C ATOM 1596 CG2 ILE A 113 22.123 -5.772 28.950 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.316 -2.797 28.240 1.00 0.00 C ATOM 0 H ILE A 113 18.619 -4.611 30.930 1.00 0.00 H new ATOM 0 HA ILE A 113 19.369 -5.702 28.269 1.00 0.00 H new ATOM 0 HB ILE A 113 21.163 -4.399 30.296 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.854 -4.033 27.272 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.190 -2.951 28.480 1.00 0.00 H new ATOM 0 HG21 ILE A 113 23.079 -5.248 28.950 1.00 0.00 H new ATOM 0 HG22 ILE A 113 22.145 -6.567 29.695 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.945 -6.203 27.965 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.231 -2.011 27.490 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.482 -2.348 29.219 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.156 -3.446 27.992 1.00 0.00 H new ATOM 1609 N SER A 114 19.687 -7.906 29.578 1.00 0.00 N ATOM 1610 CA SER A 114 19.890 -9.172 30.276 1.00 0.00 C ATOM 1611 C SER A 114 20.597 -10.153 29.337 1.00 0.00 C ATOM 1612 O SER A 114 20.291 -10.197 28.144 1.00 0.00 O ATOM 1613 CB SER A 114 18.534 -9.744 30.719 1.00 0.00 C ATOM 1614 OG SER A 114 17.906 -8.897 31.667 1.00 0.00 O ATOM 0 H SER A 114 19.642 -8.012 28.565 1.00 0.00 H new ATOM 0 HA SER A 114 20.506 -9.012 31.161 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.886 -9.866 29.851 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.678 -10.734 31.151 1.00 0.00 H new ATOM 0 HG SER A 114 18.437 -8.081 31.779 1.00 0.00 H new ATOM 1620 N GLY A 115 21.529 -10.946 29.874 1.00 0.00 N ATOM 1621 CA GLY A 115 22.208 -12.012 29.140 1.00 0.00 C ATOM 1622 C GLY A 115 23.145 -11.510 28.038 1.00 0.00 C ATOM 1623 O GLY A 115 23.425 -12.265 27.106 1.00 0.00 O ATOM 0 H GLY A 115 21.835 -10.863 30.843 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.782 -12.615 29.844 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.459 -12.667 28.695 1.00 0.00 H new ATOM 1627 N CYS A 116 23.607 -10.255 28.107 1.00 0.00 N ATOM 1628 CA CYS A 116 24.378 -9.624 27.042 1.00 0.00 C ATOM 1629 C CYS A 116 25.836 -9.396 27.438 1.00 0.00 C ATOM 1630 O CYS A 116 26.182 -9.349 28.622 1.00 0.00 O ATOM 1631 CB CYS A 116 23.741 -8.277 26.690 1.00 0.00 C ATOM 1632 SG CYS A 116 22.010 -8.349 26.183 1.00 0.00 S ATOM 0 H CYS A 116 23.452 -9.649 28.912 1.00 0.00 H new ATOM 0 HA CYS A 116 24.367 -10.297 26.185 1.00 0.00 H new ATOM 0 HB2 CYS A 116 23.822 -7.619 27.555 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.319 -7.820 25.887 1.00 0.00 H new ATOM 1637 N SER A 117 26.656 -9.165 26.416 1.00 0.00 N ATOM 1638 CA SER A 117 28.034 -8.714 26.485 1.00 0.00 C ATOM 1639 C SER A 117 28.133 -7.587 25.455 1.00 0.00 C ATOM 1640 O SER A 117 27.591 -7.719 24.353 1.00 0.00 O ATOM 1641 CB SER A 117 28.985 -9.874 26.157 1.00 0.00 C ATOM 1642 OG SER A 117 28.786 -10.967 27.043 1.00 0.00 O ATOM 0 H SER A 117 26.349 -9.299 25.453 1.00 0.00 H new ATOM 0 HA SER A 117 28.316 -8.364 27.478 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.824 -10.201 25.130 1.00 0.00 H new ATOM 0 HB3 SER A 117 30.018 -9.531 26.224 1.00 0.00 H new ATOM 0 HG SER A 117 29.403 -11.693 26.811 1.00 0.00 H new ATOM 1648 N LEU A 118 28.752 -6.465 25.823 1.00 0.00 N ATOM 1649 CA LEU A 118 28.747 -5.229 25.042 1.00 0.00 C ATOM 1650 C LEU A 118 30.196 -4.782 24.863 1.00 0.00 C ATOM 1651 O LEU A 118 30.988 -4.866 25.808 1.00 0.00 O ATOM 1652 CB LEU A 118 27.968 -4.113 25.771 1.00 0.00 C ATOM 1653 CG LEU A 118 26.428 -4.152 25.699 1.00 0.00 C ATOM 1654 CD1 LEU A 118 25.777 -5.298 26.483 1.00 0.00 C ATOM 1655 CD2 LEU A 118 25.886 -2.832 26.264 1.00 0.00 C ATOM 0 H LEU A 118 29.282 -6.389 26.691 1.00 0.00 H new ATOM 0 HA LEU A 118 28.264 -5.413 24.082 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.256 -4.134 26.822 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.299 -3.155 25.369 1.00 0.00 H new ATOM 0 HG LEU A 118 26.178 -4.308 24.650 1.00 0.00 H new ATOM 0 HD11 LEU A 118 24.694 -5.244 26.374 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.134 -6.252 26.096 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.040 -5.213 27.537 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.797 -2.838 26.222 1.00 0.00 H new ATOM 0 HD22 LEU A 118 26.209 -2.719 27.299 1.00 0.00 H new ATOM 0 HD23 LEU A 118 26.267 -1.999 25.672 1.00 0.00 H new ATOM 1667 N SER A 119 30.527 -4.271 23.678 1.00 0.00 N ATOM 1668 CA SER A 119 31.872 -3.851 23.305 1.00 0.00 C ATOM 1669 C SER A 119 31.800 -2.690 22.307 1.00 0.00 C ATOM 1670 O SER A 119 30.736 -2.389 21.753 1.00 0.00 O ATOM 1671 CB SER A 119 32.626 -5.038 22.673 1.00 0.00 C ATOM 1672 OG SER A 119 32.589 -6.209 23.478 1.00 0.00 O ATOM 0 H SER A 119 29.845 -4.135 22.931 1.00 0.00 H new ATOM 0 HA SER A 119 32.404 -3.518 24.196 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.192 -5.260 21.698 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.664 -4.753 22.503 1.00 0.00 H new ATOM 0 HG SER A 119 33.080 -6.929 23.030 1.00 0.00 H new ATOM 1678 N ALA A 120 32.934 -2.031 22.073 1.00 0.00 N ATOM 1679 CA ALA A 120 33.082 -1.054 21.002 1.00 0.00 C ATOM 1680 C ALA A 120 33.078 -1.754 19.631 1.00 0.00 C ATOM 1681 O ALA A 120 32.953 -2.980 19.537 1.00 0.00 O ATOM 1682 CB ALA A 120 34.372 -0.255 21.236 1.00 0.00 C ATOM 0 H ALA A 120 33.780 -2.163 22.627 1.00 0.00 H new ATOM 0 HA ALA A 120 32.240 -0.362 21.006 1.00 0.00 H new ATOM 0 HB1 ALA A 120 34.494 0.480 20.440 1.00 0.00 H new ATOM 0 HB2 ALA A 120 34.314 0.256 22.197 1.00 0.00 H new ATOM 0 HB3 ALA A 120 35.225 -0.933 21.237 1.00 0.00 H new ATOM 1688 N MET A 121 33.238 -0.970 18.566 1.00 0.00 N ATOM 1689 CA MET A 121 33.271 -1.435 17.185 1.00 0.00 C ATOM 1690 C MET A 121 34.401 -0.709 16.469 1.00 0.00 C ATOM 1691 O MET A 121 35.245 -1.381 15.843 1.00 0.00 O ATOM 1692 CB MET A 121 31.908 -1.152 16.544 1.00 0.00 C ATOM 1693 CG MET A 121 31.751 -1.745 15.140 1.00 0.00 C ATOM 1694 SD MET A 121 31.847 -3.551 15.035 1.00 0.00 S ATOM 1695 CE MET A 121 31.347 -3.776 13.306 1.00 0.00 C ATOM 1696 OXT MET A 121 34.473 0.533 16.592 1.00 0.00 O ATOM 0 H MET A 121 33.352 0.040 18.646 1.00 0.00 H new ATOM 0 HA MET A 121 33.456 -2.507 17.121 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.124 -1.552 17.187 1.00 0.00 H new ATOM 0 HB3 MET A 121 31.758 -0.074 16.492 1.00 0.00 H new ATOM 0 HG2 MET A 121 30.790 -1.427 14.736 1.00 0.00 H new ATOM 0 HG3 MET A 121 32.523 -1.321 14.498 1.00 0.00 H new ATOM 0 HE1 MET A 121 31.349 -4.838 13.062 1.00 0.00 H new ATOM 0 HE2 MET A 121 30.345 -3.372 13.162 1.00 0.00 H new ATOM 0 HE3 MET A 121 32.046 -3.253 12.654 1.00 0.00 H new