USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 728 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 47 TYR OH : rot 129:sc= 0.249 USER MOD Set 1.2: A 66 TYR OH : rot -112:sc= 0.197 USER MOD Set 2.1: A 24 THR OG1 : rot -112:sc= 0.11 USER MOD Set 2.2: A 83 HIS : no HD1:sc= 0.0258 X(o=0.14,f=-0.043) USER MOD Set 3.1: A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= -1.43 (180deg=-1.48) USER MOD Single : A 6 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.72) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0787 USER MOD Single : A 12 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.112) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -15:sc= -0.384 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0817 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0646 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= 0.11 (180deg=-0.36) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -0.701 (180deg=-0.8) USER MOD Single : A 55 THR OG1 : rot 125:sc= 1.31 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.82 K(o=-1.8,f=-5.6!) USER MOD Single : A 69 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD Single : A 71 SER OG : rot 69:sc= -0.739 USER MOD Single : A 72 CYS SG : rot 170:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 41:sc= 0.994 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= -0.163 USER MOD Single : A 85 MET CE :methyl 174:sc= -0.894 (180deg=-0.921) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 25:sc= 0.39 USER MOD Single : A 91 ASN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.2!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.574 0.363 1.684 1.00 3.22 N ATOM 2 CA GLY A 1 2.000 0.243 0.302 1.00 53.31 C ATOM 3 C GLY A 1 2.847 -0.990 0.061 1.00 70.30 C ATOM 4 O GLY A 1 2.435 -2.106 0.376 1.00 13.41 O ATOM 0 H1 GLY A 1 0.998 1.222 1.796 1.00 3.22 H new ATOM 0 H2 GLY A 1 1.009 -0.470 1.947 1.00 3.22 H new ATOM 0 H3 GLY A 1 2.409 0.423 2.301 1.00 3.22 H new ATOM 0 HA2 GLY A 1 1.122 0.209 -0.344 1.00 53.31 H new ATOM 0 HA3 GLY A 1 2.568 1.130 0.022 1.00 53.31 H new ATOM 8 N ASN A 2 4.035 -0.790 -0.501 1.00 74.12 N ATOM 9 CA ASN A 2 4.941 -1.896 -0.787 1.00 23.25 C ATOM 10 C ASN A 2 6.058 -1.965 0.251 1.00 61.54 C ATOM 11 O ASN A 2 6.082 -1.189 1.206 1.00 60.31 O ATOM 12 CB ASN A 2 5.539 -1.745 -2.187 1.00 1.32 C ATOM 13 CG ASN A 2 4.499 -1.903 -3.279 1.00 44.24 C ATOM 14 OD1 ASN A 2 3.399 -1.358 -3.188 1.00 43.35 O ATOM 15 ND2 ASN A 2 4.844 -2.652 -4.320 1.00 64.11 N ATOM 0 H ASN A 2 4.392 0.128 -0.767 1.00 74.12 H new ATOM 0 HA ASN A 2 4.369 -2.823 -0.743 1.00 23.25 H new ATOM 0 HB2 ASN A 2 6.009 -0.765 -2.275 1.00 1.32 H new ATOM 0 HB3 ASN A 2 6.324 -2.488 -2.326 1.00 1.32 H new ATOM 0 HD21 ASN A 2 4.186 -2.794 -5.086 1.00 64.11 H new ATOM 0 HD22 ASN A 2 5.767 -3.085 -4.353 1.00 64.11 H new ATOM 22 N VAL A 3 6.983 -2.900 0.055 1.00 34.42 N ATOM 23 CA VAL A 3 8.104 -3.071 0.972 1.00 55.41 C ATOM 24 C VAL A 3 9.433 -2.840 0.263 1.00 63.22 C ATOM 25 O VAL A 3 9.858 -3.650 -0.562 1.00 61.32 O ATOM 26 CB VAL A 3 8.106 -4.477 1.600 1.00 2.23 C ATOM 27 CG1 VAL A 3 7.099 -4.556 2.737 1.00 0.45 C ATOM 28 CG2 VAL A 3 7.814 -5.532 0.544 1.00 22.34 C ATOM 0 H VAL A 3 6.978 -3.551 -0.731 1.00 34.42 H new ATOM 0 HA VAL A 3 7.983 -2.330 1.762 1.00 55.41 H new ATOM 0 HB VAL A 3 9.097 -4.671 2.011 1.00 2.23 H new ATOM 0 HG11 VAL A 3 7.115 -5.557 3.168 1.00 0.45 H new ATOM 0 HG12 VAL A 3 7.358 -3.826 3.504 1.00 0.45 H new ATOM 0 HG13 VAL A 3 6.101 -4.341 2.355 1.00 0.45 H new ATOM 0 HG21 VAL A 3 7.819 -6.520 1.005 1.00 22.34 H new ATOM 0 HG22 VAL A 3 6.836 -5.343 0.102 1.00 22.34 H new ATOM 0 HG23 VAL A 3 8.577 -5.490 -0.233 1.00 22.34 H new ATOM 38 N LEU A 4 10.087 -1.731 0.589 1.00 1.04 N ATOM 39 CA LEU A 4 11.371 -1.393 -0.016 1.00 33.11 C ATOM 40 C LEU A 4 12.390 -1.003 1.050 1.00 33.42 C ATOM 41 O LEU A 4 12.034 -0.456 2.094 1.00 21.43 O ATOM 42 CB LEU A 4 11.200 -0.249 -1.016 1.00 54.25 C ATOM 43 CG LEU A 4 10.260 0.880 -0.591 1.00 75.32 C ATOM 44 CD1 LEU A 4 10.777 2.221 -1.087 1.00 71.04 C ATOM 45 CD2 LEU A 4 8.851 0.625 -1.109 1.00 65.40 C ATOM 0 H LEU A 4 9.749 -1.050 1.269 1.00 1.04 H new ATOM 0 HA LEU A 4 11.741 -2.274 -0.540 1.00 33.11 H new ATOM 0 HB2 LEU A 4 12.182 0.180 -1.218 1.00 54.25 H new ATOM 0 HB3 LEU A 4 10.834 -0.665 -1.955 1.00 54.25 H new ATOM 0 HG LEU A 4 10.226 0.907 0.498 1.00 75.32 H new ATOM 0 HD11 LEU A 4 10.095 3.012 -0.775 1.00 71.04 H new ATOM 0 HD12 LEU A 4 11.765 2.408 -0.667 1.00 71.04 H new ATOM 0 HD13 LEU A 4 10.842 2.206 -2.175 1.00 71.04 H new ATOM 0 HD21 LEU A 4 8.196 1.438 -0.797 1.00 65.40 H new ATOM 0 HD22 LEU A 4 8.868 0.570 -2.197 1.00 65.40 H new ATOM 0 HD23 LEU A 4 8.479 -0.316 -0.704 1.00 65.40 H new ATOM 57 N LYS A 5 13.659 -1.287 0.779 1.00 2.14 N ATOM 58 CA LYS A 5 14.732 -0.964 1.713 1.00 52.43 C ATOM 59 C LYS A 5 16.095 -1.087 1.039 1.00 52.40 C ATOM 60 O LYS A 5 16.778 -0.089 0.814 1.00 43.02 O ATOM 61 CB LYS A 5 14.669 -1.885 2.933 1.00 61.22 C ATOM 62 CG LYS A 5 15.461 -1.373 4.123 1.00 1.13 C ATOM 63 CD LYS A 5 14.786 -0.174 4.768 1.00 43.22 C ATOM 64 CE LYS A 5 15.598 0.360 5.938 1.00 12.31 C ATOM 65 NZ LYS A 5 16.204 -0.738 6.740 1.00 65.44 N ATOM 0 H LYS A 5 13.970 -1.740 -0.080 1.00 2.14 H new ATOM 0 HA LYS A 5 14.599 0.068 2.038 1.00 52.43 H new ATOM 0 HB2 LYS A 5 13.627 -2.012 3.228 1.00 61.22 H new ATOM 0 HB3 LYS A 5 15.044 -2.870 2.654 1.00 61.22 H new ATOM 0 HG2 LYS A 5 15.570 -2.170 4.859 1.00 1.13 H new ATOM 0 HG3 LYS A 5 16.465 -1.097 3.801 1.00 1.13 H new ATOM 0 HD2 LYS A 5 14.654 0.613 4.026 1.00 43.22 H new ATOM 0 HD3 LYS A 5 13.791 -0.457 5.113 1.00 43.22 H new ATOM 0 HE2 LYS A 5 16.386 1.014 5.565 1.00 12.31 H new ATOM 0 HE3 LYS A 5 14.957 0.966 6.578 1.00 12.31 H new ATOM 0 HZ1 LYS A 5 16.678 -0.337 7.575 1.00 65.44 H new ATOM 0 HZ2 LYS A 5 15.459 -1.396 7.047 1.00 65.44 H new ATOM 0 HZ3 LYS A 5 16.899 -1.249 6.159 1.00 65.44 H new ATOM 79 N ASN A 6 16.483 -2.317 0.719 1.00 54.13 N ATOM 80 CA ASN A 6 17.764 -2.570 0.070 1.00 51.35 C ATOM 81 C ASN A 6 17.716 -2.171 -1.402 1.00 71.34 C ATOM 82 O ASN A 6 16.649 -2.146 -2.015 1.00 21.05 O ATOM 83 CB ASN A 6 18.141 -4.047 0.198 1.00 44.24 C ATOM 84 CG ASN A 6 18.747 -4.601 -1.077 1.00 72.54 C ATOM 85 OD1 ASN A 6 18.033 -4.927 -2.026 1.00 61.11 O ATOM 86 ND2 ASN A 6 20.070 -4.712 -1.105 1.00 11.23 N ATOM 0 H ASN A 6 15.929 -3.154 0.899 1.00 54.13 H new ATOM 0 HA ASN A 6 18.521 -1.964 0.568 1.00 51.35 H new ATOM 0 HB2 ASN A 6 18.850 -4.169 1.017 1.00 44.24 H new ATOM 0 HB3 ASN A 6 17.254 -4.625 0.456 1.00 44.24 H new ATOM 0 HD21 ASN A 6 20.533 -5.080 -1.936 1.00 11.23 H new ATOM 0 HD22 ASN A 6 20.623 -4.430 -0.296 1.00 11.23 H new ATOM 93 N ASN A 7 18.880 -1.861 -1.964 1.00 71.31 N ATOM 94 CA ASN A 7 18.971 -1.464 -3.364 1.00 61.15 C ATOM 95 C ASN A 7 18.783 0.042 -3.516 1.00 3.30 C ATOM 96 O ASN A 7 19.705 0.758 -3.910 1.00 53.11 O ATOM 97 CB ASN A 7 17.923 -2.206 -4.196 1.00 32.20 C ATOM 98 CG ASN A 7 18.367 -2.420 -5.630 1.00 45.40 C ATOM 99 OD1 ASN A 7 17.963 -1.687 -6.533 1.00 0.44 O ATOM 100 ND2 ASN A 7 19.204 -3.428 -5.846 1.00 3.10 N ATOM 0 H ASN A 7 19.773 -1.877 -1.471 1.00 71.31 H new ATOM 0 HA ASN A 7 19.965 -1.727 -3.726 1.00 61.15 H new ATOM 0 HB2 ASN A 7 17.715 -3.172 -3.735 1.00 32.20 H new ATOM 0 HB3 ASN A 7 16.991 -1.641 -4.188 1.00 32.20 H new ATOM 0 HD21 ASN A 7 19.538 -3.620 -6.790 1.00 3.10 H new ATOM 0 HD22 ASN A 7 19.513 -4.010 -5.067 1.00 3.10 H new ATOM 107 N THR A 8 17.583 0.518 -3.199 1.00 40.55 N ATOM 108 CA THR A 8 17.273 1.939 -3.301 1.00 23.05 C ATOM 109 C THR A 8 16.651 2.459 -2.010 1.00 12.21 C ATOM 110 O THR A 8 15.613 1.977 -1.555 1.00 2.44 O ATOM 111 CB THR A 8 16.313 2.223 -4.471 1.00 61.31 C ATOM 112 OG1 THR A 8 16.759 1.538 -5.647 1.00 52.53 O ATOM 113 CG2 THR A 8 16.225 3.716 -4.749 1.00 64.33 C ATOM 0 H THR A 8 16.810 -0.060 -2.869 1.00 40.55 H new ATOM 0 HA THR A 8 18.215 2.456 -3.482 1.00 23.05 H new ATOM 0 HB THR A 8 15.322 1.863 -4.195 1.00 61.31 H new ATOM 0 HG1 THR A 8 16.143 1.722 -6.386 1.00 52.53 H new ATOM 0 HG21 THR A 8 15.541 3.892 -5.579 1.00 64.33 H new ATOM 0 HG22 THR A 8 15.857 4.230 -3.861 1.00 64.33 H new ATOM 0 HG23 THR A 8 17.213 4.097 -5.006 1.00 64.33 H new ATOM 121 N PRO A 9 17.297 3.467 -1.405 1.00 34.13 N ATOM 122 CA PRO A 9 16.823 4.075 -0.158 1.00 11.40 C ATOM 123 C PRO A 9 15.545 4.884 -0.356 1.00 61.53 C ATOM 124 O PRO A 9 15.274 5.376 -1.451 1.00 73.05 O ATOM 125 CB PRO A 9 17.978 4.993 0.250 1.00 1.11 C ATOM 126 CG PRO A 9 18.677 5.313 -1.026 1.00 61.50 C ATOM 127 CD PRO A 9 18.539 4.090 -1.891 1.00 52.41 C ATOM 0 HA PRO A 9 16.571 3.324 0.591 1.00 11.40 H new ATOM 0 HB2 PRO A 9 17.612 5.896 0.738 1.00 1.11 H new ATOM 0 HB3 PRO A 9 18.647 4.498 0.954 1.00 1.11 H new ATOM 0 HG2 PRO A 9 18.232 6.184 -1.507 1.00 61.50 H new ATOM 0 HG3 PRO A 9 19.726 5.549 -0.848 1.00 61.50 H new ATOM 0 HD2 PRO A 9 18.471 4.350 -2.947 1.00 52.41 H new ATOM 0 HD3 PRO A 9 19.393 3.422 -1.782 1.00 52.41 H new ATOM 135 N VAL A 10 14.763 5.017 0.710 1.00 20.33 N ATOM 136 CA VAL A 10 13.514 5.767 0.654 1.00 61.14 C ATOM 137 C VAL A 10 13.757 7.256 0.870 1.00 2.23 C ATOM 138 O VAL A 10 14.184 7.676 1.946 1.00 14.00 O ATOM 139 CB VAL A 10 12.509 5.264 1.706 1.00 32.54 C ATOM 140 CG1 VAL A 10 11.168 5.963 1.542 1.00 3.44 C ATOM 141 CG2 VAL A 10 12.347 3.754 1.609 1.00 51.10 C ATOM 0 H VAL A 10 14.972 4.615 1.624 1.00 20.33 H new ATOM 0 HA VAL A 10 13.096 5.611 -0.340 1.00 61.14 H new ATOM 0 HB VAL A 10 12.897 5.503 2.696 1.00 32.54 H new ATOM 0 HG11 VAL A 10 10.471 5.594 2.294 1.00 3.44 H new ATOM 0 HG12 VAL A 10 11.300 7.038 1.666 1.00 3.44 H new ATOM 0 HG13 VAL A 10 10.770 5.759 0.548 1.00 3.44 H new ATOM 0 HG21 VAL A 10 11.633 3.416 2.360 1.00 51.10 H new ATOM 0 HG22 VAL A 10 11.982 3.490 0.616 1.00 51.10 H new ATOM 0 HG23 VAL A 10 13.310 3.273 1.781 1.00 51.10 H new ATOM 151 N SER A 11 13.483 8.051 -0.159 1.00 74.02 N ATOM 152 CA SER A 11 13.675 9.494 -0.083 1.00 14.51 C ATOM 153 C SER A 11 12.474 10.168 0.575 1.00 42.10 C ATOM 154 O SER A 11 11.337 9.727 0.415 1.00 12.34 O ATOM 155 CB SER A 11 13.897 10.075 -1.481 1.00 11.23 C ATOM 156 OG SER A 11 13.349 9.230 -2.477 1.00 73.13 O ATOM 0 H SER A 11 13.127 7.720 -1.056 1.00 74.02 H new ATOM 0 HA SER A 11 14.558 9.686 0.527 1.00 14.51 H new ATOM 0 HB2 SER A 11 13.439 11.062 -1.545 1.00 11.23 H new ATOM 0 HB3 SER A 11 14.964 10.207 -1.658 1.00 11.23 H new ATOM 0 HG SER A 11 13.502 9.624 -3.361 1.00 73.13 H new ATOM 162 N ASN A 12 12.738 11.240 1.316 1.00 75.14 N ATOM 163 CA ASN A 12 11.680 11.975 1.999 1.00 13.31 C ATOM 164 C ASN A 12 10.724 11.021 2.709 1.00 65.52 C ATOM 165 O ASN A 12 9.652 10.700 2.194 1.00 45.35 O ATOM 166 CB ASN A 12 10.906 12.841 1.003 1.00 42.23 C ATOM 167 CG ASN A 12 10.918 14.310 1.382 1.00 63.44 C ATOM 168 OD1 ASN A 12 11.763 15.075 0.916 1.00 14.23 O ATOM 169 ND2 ASN A 12 9.979 14.709 2.231 1.00 52.02 N ATOM 0 H ASN A 12 13.675 11.618 1.458 1.00 75.14 H new ATOM 0 HA ASN A 12 12.145 12.618 2.746 1.00 13.31 H new ATOM 0 HB2 ASN A 12 11.338 12.721 0.009 1.00 42.23 H new ATOM 0 HB3 ASN A 12 9.875 12.492 0.946 1.00 42.23 H new ATOM 0 HD21 ASN A 12 9.937 15.685 2.523 1.00 52.02 H new ATOM 0 HD22 ASN A 12 9.299 14.039 2.591 1.00 52.02 H new ATOM 176 N LEU A 13 11.120 10.570 3.894 1.00 30.50 N ATOM 177 CA LEU A 13 10.299 9.652 4.676 1.00 21.51 C ATOM 178 C LEU A 13 9.189 10.401 5.406 1.00 31.30 C ATOM 179 O LEU A 13 8.988 11.597 5.194 1.00 5.22 O ATOM 180 CB LEU A 13 11.166 8.893 5.683 1.00 35.01 C ATOM 181 CG LEU A 13 11.833 7.617 5.168 1.00 52.33 C ATOM 182 CD1 LEU A 13 13.274 7.538 5.647 1.00 32.51 C ATOM 183 CD2 LEU A 13 11.052 6.390 5.613 1.00 32.41 C ATOM 0 H LEU A 13 12.004 10.825 4.334 1.00 30.50 H new ATOM 0 HA LEU A 13 9.841 8.939 3.990 1.00 21.51 H new ATOM 0 HB2 LEU A 13 11.944 9.566 6.042 1.00 35.01 H new ATOM 0 HB3 LEU A 13 10.547 8.634 6.542 1.00 35.01 H new ATOM 0 HG LEU A 13 11.835 7.645 4.078 1.00 52.33 H new ATOM 0 HD11 LEU A 13 13.733 6.624 5.271 1.00 32.51 H new ATOM 0 HD12 LEU A 13 13.828 8.401 5.277 1.00 32.51 H new ATOM 0 HD13 LEU A 13 13.295 7.533 6.737 1.00 32.51 H new ATOM 0 HD21 LEU A 13 11.541 5.491 5.237 1.00 32.41 H new ATOM 0 HD22 LEU A 13 11.017 6.356 6.702 1.00 32.41 H new ATOM 0 HD23 LEU A 13 10.037 6.442 5.219 1.00 32.41 H new ATOM 195 N THR A 14 8.470 9.689 6.269 1.00 51.31 N ATOM 196 CA THR A 14 7.381 10.286 7.031 1.00 12.53 C ATOM 197 C THR A 14 7.410 9.826 8.484 1.00 34.12 C ATOM 198 O THR A 14 7.653 8.654 8.769 1.00 1.24 O ATOM 199 CB THR A 14 6.010 9.937 6.421 1.00 4.30 C ATOM 200 OG1 THR A 14 6.006 8.577 5.974 1.00 75.12 O ATOM 201 CG2 THR A 14 5.686 10.860 5.256 1.00 14.44 C ATOM 0 H THR A 14 8.623 8.698 6.457 1.00 51.31 H new ATOM 0 HA THR A 14 7.523 11.366 6.992 1.00 12.53 H new ATOM 0 HB THR A 14 5.249 10.069 7.191 1.00 4.30 H new ATOM 0 HG1 THR A 14 5.131 8.362 5.589 1.00 75.12 H new ATOM 0 HG21 THR A 14 4.714 10.595 4.841 1.00 14.44 H new ATOM 0 HG22 THR A 14 5.662 11.892 5.605 1.00 14.44 H new ATOM 0 HG23 THR A 14 6.450 10.755 4.485 1.00 14.44 H new ATOM 209 N GLY A 15 7.159 10.756 9.400 1.00 14.24 N ATOM 210 CA GLY A 15 7.160 10.425 10.813 1.00 2.34 C ATOM 211 C GLY A 15 6.043 11.114 11.571 1.00 13.04 C ATOM 212 O GLY A 15 6.287 12.038 12.346 1.00 52.00 O ATOM 0 H GLY A 15 6.955 11.733 9.189 1.00 14.24 H new ATOM 0 HA2 GLY A 15 7.062 9.346 10.930 1.00 2.34 H new ATOM 0 HA3 GLY A 15 8.118 10.708 11.248 1.00 2.34 H new ATOM 216 N ASN A 16 4.812 10.664 11.347 1.00 44.23 N ATOM 217 CA ASN A 16 3.653 11.245 12.013 1.00 15.20 C ATOM 218 C ASN A 16 3.555 10.760 13.456 1.00 12.33 C ATOM 219 O ASN A 16 3.705 9.571 13.735 1.00 25.40 O ATOM 220 CB ASN A 16 2.372 10.889 11.256 1.00 53.13 C ATOM 221 CG ASN A 16 2.137 11.792 10.060 1.00 61.21 C ATOM 222 OD1 ASN A 16 1.469 12.820 10.166 1.00 10.31 O ATOM 223 ND2 ASN A 16 2.687 11.409 8.913 1.00 3.53 N ATOM 0 H ASN A 16 4.592 9.899 10.709 1.00 44.23 H new ATOM 0 HA ASN A 16 3.774 12.328 12.020 1.00 15.20 H new ATOM 0 HB2 ASN A 16 2.427 9.853 10.921 1.00 53.13 H new ATOM 0 HB3 ASN A 16 1.521 10.959 11.934 1.00 53.13 H new ATOM 0 HD21 ASN A 16 2.563 11.975 8.074 1.00 3.53 H new ATOM 0 HD22 ASN A 16 3.233 10.549 8.872 1.00 3.53 H new ATOM 230 N LYS A 17 3.301 11.690 14.371 1.00 32.10 N ATOM 231 CA LYS A 17 3.181 11.359 15.786 1.00 55.11 C ATOM 232 C LYS A 17 2.174 10.233 15.998 1.00 54.03 C ATOM 233 O LYS A 17 2.238 9.508 16.990 1.00 51.24 O ATOM 234 CB LYS A 17 2.757 12.593 16.585 1.00 12.42 C ATOM 235 CG LYS A 17 1.636 13.384 15.934 1.00 54.41 C ATOM 236 CD LYS A 17 2.159 14.639 15.255 1.00 4.15 C ATOM 237 CE LYS A 17 1.768 15.893 16.023 1.00 25.53 C ATOM 238 NZ LYS A 17 2.271 15.864 17.425 1.00 44.03 N ATOM 0 H LYS A 17 3.174 12.679 14.157 1.00 32.10 H new ATOM 0 HA LYS A 17 4.156 11.022 16.139 1.00 55.11 H new ATOM 0 HB2 LYS A 17 2.439 12.280 17.580 1.00 12.42 H new ATOM 0 HB3 LYS A 17 3.621 13.244 16.717 1.00 12.42 H new ATOM 0 HG2 LYS A 17 1.126 12.758 15.201 1.00 54.41 H new ATOM 0 HG3 LYS A 17 0.898 13.658 16.688 1.00 54.41 H new ATOM 0 HD2 LYS A 17 3.245 14.584 15.174 1.00 4.15 H new ATOM 0 HD3 LYS A 17 1.766 14.695 14.240 1.00 4.15 H new ATOM 0 HE2 LYS A 17 2.165 16.770 15.513 1.00 25.53 H new ATOM 0 HE3 LYS A 17 0.683 15.992 16.028 1.00 25.53 H new ATOM 0 HZ1 LYS A 17 2.197 16.815 17.840 1.00 44.03 H new ATOM 0 HZ2 LYS A 17 1.702 15.197 17.984 1.00 44.03 H new ATOM 0 HZ3 LYS A 17 3.266 15.560 17.431 1.00 44.03 H new ATOM 252 N GLY A 18 1.244 10.091 15.057 1.00 2.44 N ATOM 253 CA GLY A 18 0.238 9.051 15.160 1.00 61.44 C ATOM 254 C GLY A 18 0.431 7.955 14.130 1.00 55.13 C ATOM 255 O GLY A 18 0.265 6.773 14.432 1.00 55.50 O ATOM 0 H GLY A 18 1.170 10.678 14.226 1.00 2.44 H new ATOM 0 HA2 GLY A 18 0.270 8.616 16.159 1.00 61.44 H new ATOM 0 HA3 GLY A 18 -0.751 9.492 15.036 1.00 61.44 H new ATOM 259 N SER A 19 0.780 8.348 12.909 1.00 61.42 N ATOM 260 CA SER A 19 0.990 7.390 11.829 1.00 52.41 C ATOM 261 C SER A 19 2.433 6.897 11.813 1.00 45.22 C ATOM 262 O SER A 19 3.216 7.207 12.711 1.00 72.23 O ATOM 263 CB SER A 19 0.641 8.025 10.481 1.00 14.14 C ATOM 264 OG SER A 19 -0.037 7.104 9.644 1.00 0.12 O ATOM 0 H SER A 19 0.923 9.322 12.643 1.00 61.42 H new ATOM 0 HA SER A 19 0.335 6.536 12.001 1.00 52.41 H new ATOM 0 HB2 SER A 19 0.017 8.904 10.640 1.00 14.14 H new ATOM 0 HB3 SER A 19 1.552 8.366 9.989 1.00 14.14 H new ATOM 0 HG SER A 19 -0.250 7.534 8.790 1.00 0.12 H new ATOM 270 N GLU A 20 2.778 6.128 10.785 1.00 60.12 N ATOM 271 CA GLU A 20 4.127 5.591 10.652 1.00 62.01 C ATOM 272 C GLU A 20 4.289 4.846 9.330 1.00 55.12 C ATOM 273 O GLU A 20 3.363 4.789 8.520 1.00 63.32 O ATOM 274 CB GLU A 20 4.445 4.655 11.820 1.00 73.54 C ATOM 275 CG GLU A 20 3.269 3.790 12.244 1.00 40.52 C ATOM 276 CD GLU A 20 2.762 2.903 11.123 1.00 5.51 C ATOM 277 OE1 GLU A 20 3.270 1.771 10.986 1.00 4.12 O ATOM 278 OE2 GLU A 20 1.857 3.343 10.383 1.00 63.51 O ATOM 0 H GLU A 20 2.142 5.863 10.033 1.00 60.12 H new ATOM 0 HA GLU A 20 4.826 6.427 10.665 1.00 62.01 H new ATOM 0 HB2 GLU A 20 5.278 4.010 11.541 1.00 73.54 H new ATOM 0 HB3 GLU A 20 4.774 5.250 12.672 1.00 73.54 H new ATOM 0 HG2 GLU A 20 3.566 3.168 13.088 1.00 40.52 H new ATOM 0 HG3 GLU A 20 2.458 4.431 12.590 1.00 40.52 H new ATOM 285 N VAL A 21 5.471 4.277 9.118 1.00 1.04 N ATOM 286 CA VAL A 21 5.755 3.535 7.896 1.00 51.12 C ATOM 287 C VAL A 21 6.592 2.295 8.187 1.00 4.13 C ATOM 288 O VAL A 21 7.439 2.301 9.081 1.00 65.32 O ATOM 289 CB VAL A 21 6.495 4.411 6.867 1.00 72.30 C ATOM 290 CG1 VAL A 21 5.549 4.848 5.759 1.00 33.11 C ATOM 291 CG2 VAL A 21 7.124 5.616 7.549 1.00 42.24 C ATOM 0 H VAL A 21 6.248 4.316 9.778 1.00 1.04 H new ATOM 0 HA VAL A 21 4.794 3.231 7.480 1.00 51.12 H new ATOM 0 HB VAL A 21 7.292 3.819 6.418 1.00 72.30 H new ATOM 0 HG11 VAL A 21 6.089 5.466 5.042 1.00 33.11 H new ATOM 0 HG12 VAL A 21 5.151 3.969 5.253 1.00 33.11 H new ATOM 0 HG13 VAL A 21 4.728 5.423 6.187 1.00 33.11 H new ATOM 0 HG21 VAL A 21 7.643 6.224 6.808 1.00 42.24 H new ATOM 0 HG22 VAL A 21 6.346 6.211 8.026 1.00 42.24 H new ATOM 0 HG23 VAL A 21 7.835 5.278 8.302 1.00 42.24 H new ATOM 301 N PHE A 22 6.350 1.232 7.427 1.00 5.31 N ATOM 302 CA PHE A 22 7.082 -0.017 7.604 1.00 42.43 C ATOM 303 C PHE A 22 7.475 -0.612 6.255 1.00 72.51 C ATOM 304 O PHE A 22 6.722 -0.528 5.284 1.00 4.00 O ATOM 305 CB PHE A 22 6.237 -1.020 8.391 1.00 64.40 C ATOM 306 CG PHE A 22 4.825 -1.136 7.893 1.00 0.11 C ATOM 307 CD1 PHE A 22 3.845 -0.265 8.341 1.00 1.03 C ATOM 308 CD2 PHE A 22 4.477 -2.116 6.977 1.00 3.23 C ATOM 309 CE1 PHE A 22 2.544 -0.368 7.885 1.00 64.21 C ATOM 310 CE2 PHE A 22 3.179 -2.224 6.517 1.00 15.50 C ATOM 311 CZ PHE A 22 2.211 -1.350 6.972 1.00 13.43 C ATOM 0 H PHE A 22 5.653 1.210 6.683 1.00 5.31 H new ATOM 0 HA PHE A 22 7.992 0.199 8.164 1.00 42.43 H new ATOM 0 HB2 PHE A 22 6.712 -2.000 8.343 1.00 64.40 H new ATOM 0 HB3 PHE A 22 6.221 -0.725 9.440 1.00 64.40 H new ATOM 0 HD1 PHE A 22 4.101 0.504 9.055 1.00 1.03 H new ATOM 0 HD2 PHE A 22 5.229 -2.803 6.619 1.00 3.23 H new ATOM 0 HE1 PHE A 22 1.790 0.318 8.242 1.00 64.21 H new ATOM 0 HE2 PHE A 22 2.921 -2.991 5.802 1.00 15.50 H new ATOM 0 HZ PHE A 22 1.195 -1.434 6.615 1.00 13.43 H new ATOM 321 N TYR A 23 8.658 -1.214 6.203 1.00 71.12 N ATOM 322 CA TYR A 23 9.153 -1.822 4.973 1.00 12.42 C ATOM 323 C TYR A 23 9.861 -3.141 5.264 1.00 23.02 C ATOM 324 O TYR A 23 10.199 -3.439 6.410 1.00 22.33 O ATOM 325 CB TYR A 23 10.107 -0.865 4.255 1.00 34.31 C ATOM 326 CG TYR A 23 9.687 0.585 4.340 1.00 64.12 C ATOM 327 CD1 TYR A 23 8.567 1.046 3.660 1.00 33.30 C ATOM 328 CD2 TYR A 23 10.412 1.494 5.101 1.00 52.43 C ATOM 329 CE1 TYR A 23 8.181 2.370 3.734 1.00 33.01 C ATOM 330 CE2 TYR A 23 10.032 2.820 5.182 1.00 43.33 C ATOM 331 CZ TYR A 23 8.916 3.253 4.496 1.00 5.33 C ATOM 332 OH TYR A 23 8.534 4.573 4.574 1.00 64.02 O ATOM 0 H TYR A 23 9.292 -1.294 6.998 1.00 71.12 H new ATOM 0 HA TYR A 23 8.298 -2.025 4.328 1.00 12.42 H new ATOM 0 HB2 TYR A 23 11.104 -0.971 4.682 1.00 34.31 H new ATOM 0 HB3 TYR A 23 10.177 -1.154 3.206 1.00 34.31 H new ATOM 0 HD1 TYR A 23 7.988 0.357 3.063 1.00 33.30 H new ATOM 0 HD2 TYR A 23 11.287 1.159 5.638 1.00 52.43 H new ATOM 0 HE1 TYR A 23 7.308 2.712 3.198 1.00 33.01 H new ATOM 0 HE2 TYR A 23 10.605 3.514 5.779 1.00 43.33 H new ATOM 0 HH TYR A 23 7.890 4.770 3.862 1.00 64.02 H new ATOM 342 N THR A 24 10.084 -3.929 4.217 1.00 64.10 N ATOM 343 CA THR A 24 10.752 -5.217 4.358 1.00 51.10 C ATOM 344 C THR A 24 11.585 -5.542 3.124 1.00 62.43 C ATOM 345 O THR A 24 11.185 -5.248 1.997 1.00 5.31 O ATOM 346 CB THR A 24 9.738 -6.353 4.593 1.00 50.51 C ATOM 347 OG1 THR A 24 8.776 -5.955 5.576 1.00 2.23 O ATOM 348 CG2 THR A 24 10.443 -7.621 5.049 1.00 35.22 C ATOM 0 H THR A 24 9.812 -3.698 3.262 1.00 64.10 H new ATOM 0 HA THR A 24 11.407 -5.140 5.225 1.00 51.10 H new ATOM 0 HB THR A 24 9.230 -6.558 3.651 1.00 50.51 H new ATOM 0 HG1 THR A 24 8.894 -6.494 6.386 1.00 2.23 H new ATOM 0 HG21 THR A 24 9.707 -8.409 5.209 1.00 35.22 H new ATOM 0 HG22 THR A 24 11.153 -7.937 4.285 1.00 35.22 H new ATOM 0 HG23 THR A 24 10.975 -7.427 5.981 1.00 35.22 H new ATOM 356 N PHE A 25 12.745 -6.152 3.343 1.00 63.33 N ATOM 357 CA PHE A 25 13.636 -6.518 2.247 1.00 13.12 C ATOM 358 C PHE A 25 14.606 -7.614 2.678 1.00 70.14 C ATOM 359 O PHE A 25 14.802 -7.854 3.870 1.00 74.25 O ATOM 360 CB PHE A 25 14.415 -5.293 1.764 1.00 14.54 C ATOM 361 CG PHE A 25 14.398 -5.122 0.272 1.00 4.43 C ATOM 362 CD1 PHE A 25 15.253 -5.858 -0.532 1.00 73.40 C ATOM 363 CD2 PHE A 25 13.529 -4.224 -0.326 1.00 1.40 C ATOM 364 CE1 PHE A 25 15.240 -5.704 -1.906 1.00 1.14 C ATOM 365 CE2 PHE A 25 13.512 -4.065 -1.699 1.00 33.12 C ATOM 366 CZ PHE A 25 14.369 -4.805 -2.489 1.00 61.25 C ATOM 0 H PHE A 25 13.090 -6.404 4.269 1.00 63.33 H new ATOM 0 HA PHE A 25 13.026 -6.898 1.428 1.00 13.12 H new ATOM 0 HB2 PHE A 25 13.997 -4.400 2.229 1.00 14.54 H new ATOM 0 HB3 PHE A 25 15.449 -5.374 2.101 1.00 14.54 H new ATOM 0 HD1 PHE A 25 15.938 -6.560 -0.080 1.00 73.40 H new ATOM 0 HD2 PHE A 25 12.857 -3.642 0.287 1.00 1.40 H new ATOM 0 HE1 PHE A 25 15.910 -6.286 -2.522 1.00 1.14 H new ATOM 0 HE2 PHE A 25 12.829 -3.363 -2.153 1.00 33.12 H new ATOM 0 HZ PHE A 25 14.358 -4.681 -3.562 1.00 61.25 H new ATOM 376 N THR A 26 15.212 -8.278 1.698 1.00 72.11 N ATOM 377 CA THR A 26 16.160 -9.350 1.974 1.00 41.15 C ATOM 378 C THR A 26 17.452 -9.157 1.187 1.00 34.01 C ATOM 379 O THR A 26 17.530 -8.304 0.303 1.00 65.01 O ATOM 380 CB THR A 26 15.565 -10.729 1.631 1.00 53.41 C ATOM 381 OG1 THR A 26 15.512 -10.900 0.210 1.00 32.03 O ATOM 382 CG2 THR A 26 14.169 -10.876 2.217 1.00 53.00 C ATOM 0 H THR A 26 15.063 -8.092 0.706 1.00 72.11 H new ATOM 0 HA THR A 26 16.378 -9.312 3.041 1.00 41.15 H new ATOM 0 HB THR A 26 16.207 -11.496 2.065 1.00 53.41 H new ATOM 0 HG1 THR A 26 15.134 -11.780 0.000 1.00 32.03 H new ATOM 0 HG21 THR A 26 13.769 -11.857 1.962 1.00 53.00 H new ATOM 0 HG22 THR A 26 14.217 -10.774 3.301 1.00 53.00 H new ATOM 0 HG23 THR A 26 13.519 -10.102 1.808 1.00 53.00 H new ATOM 390 N VAL A 27 18.463 -9.955 1.514 1.00 71.41 N ATOM 391 CA VAL A 27 19.751 -9.874 0.836 1.00 3.43 C ATOM 392 C VAL A 27 19.977 -11.083 -0.064 1.00 34.21 C ATOM 393 O VAL A 27 19.223 -12.056 -0.014 1.00 42.44 O ATOM 394 CB VAL A 27 20.911 -9.775 1.845 1.00 31.33 C ATOM 395 CG1 VAL A 27 20.800 -8.498 2.664 1.00 34.32 C ATOM 396 CG2 VAL A 27 20.935 -10.998 2.750 1.00 74.22 C ATOM 0 H VAL A 27 18.415 -10.665 2.245 1.00 71.41 H new ATOM 0 HA VAL A 27 19.731 -8.971 0.226 1.00 3.43 H new ATOM 0 HB VAL A 27 21.849 -9.742 1.291 1.00 31.33 H new ATOM 0 HG11 VAL A 27 21.628 -8.446 3.371 1.00 34.32 H new ATOM 0 HG12 VAL A 27 20.836 -7.635 1.999 1.00 34.32 H new ATOM 0 HG13 VAL A 27 19.856 -8.497 3.210 1.00 34.32 H new ATOM 0 HG21 VAL A 27 21.761 -10.912 3.457 1.00 74.22 H new ATOM 0 HG22 VAL A 27 19.995 -11.064 3.297 1.00 74.22 H new ATOM 0 HG23 VAL A 27 21.067 -11.895 2.146 1.00 74.22 H new ATOM 406 N ASP A 28 21.018 -11.016 -0.886 1.00 23.24 N ATOM 407 CA ASP A 28 21.345 -12.107 -1.797 1.00 34.02 C ATOM 408 C ASP A 28 22.609 -12.832 -1.346 1.00 40.21 C ATOM 409 O ASP A 28 22.660 -14.062 -1.332 1.00 15.24 O ATOM 410 CB ASP A 28 21.527 -11.575 -3.219 1.00 54.41 C ATOM 411 CG ASP A 28 20.239 -11.024 -3.800 1.00 42.12 C ATOM 412 OD1 ASP A 28 19.243 -11.776 -3.856 1.00 5.11 O ATOM 413 OD2 ASP A 28 20.227 -9.841 -4.198 1.00 41.44 O ATOM 0 H ASP A 28 21.650 -10.217 -0.940 1.00 23.24 H new ATOM 0 HA ASP A 28 20.518 -12.817 -1.786 1.00 34.02 H new ATOM 0 HB2 ASP A 28 22.285 -10.792 -3.217 1.00 54.41 H new ATOM 0 HB3 ASP A 28 21.898 -12.376 -3.859 1.00 54.41 H new ATOM 418 N ARG A 29 23.628 -12.061 -0.980 1.00 61.10 N ATOM 419 CA ARG A 29 24.893 -12.630 -0.531 1.00 43.22 C ATOM 420 C ARG A 29 25.376 -11.944 0.744 1.00 53.03 C ATOM 421 O ARG A 29 24.968 -10.824 1.050 1.00 65.30 O ATOM 422 CB ARG A 29 25.953 -12.498 -1.626 1.00 42.14 C ATOM 423 CG ARG A 29 27.211 -13.307 -1.357 1.00 62.30 C ATOM 424 CD ARG A 29 26.898 -14.786 -1.192 1.00 75.10 C ATOM 425 NE ARG A 29 27.877 -15.632 -1.869 1.00 31.24 N ATOM 426 CZ ARG A 29 29.141 -15.751 -1.477 1.00 52.32 C ATOM 427 NH1 ARG A 29 29.576 -15.081 -0.419 1.00 20.32 N ATOM 428 NH2 ARG A 29 29.972 -16.541 -2.145 1.00 10.32 N ATOM 0 H ARG A 29 23.602 -11.041 -0.986 1.00 61.10 H new ATOM 0 HA ARG A 29 24.731 -13.686 -0.316 1.00 43.22 H new ATOM 0 HB2 ARG A 29 25.523 -12.816 -2.576 1.00 42.14 H new ATOM 0 HB3 ARG A 29 26.223 -11.447 -1.734 1.00 42.14 H new ATOM 0 HG2 ARG A 29 27.914 -13.172 -2.179 1.00 62.30 H new ATOM 0 HG3 ARG A 29 27.699 -12.935 -0.456 1.00 62.30 H new ATOM 0 HD2 ARG A 29 26.875 -15.035 -0.131 1.00 75.10 H new ATOM 0 HD3 ARG A 29 25.904 -14.993 -1.589 1.00 75.10 H new ATOM 0 HE ARG A 29 27.574 -16.160 -2.687 1.00 31.24 H new ATOM 0 HH11 ARG A 29 28.940 -14.472 0.096 1.00 20.32 H new ATOM 0 HH12 ARG A 29 30.547 -15.174 -0.120 1.00 20.32 H new ATOM 0 HH21 ARG A 29 29.641 -17.057 -2.960 1.00 10.32 H new ATOM 0 HH22 ARG A 29 30.942 -16.632 -1.844 1.00 10.32 H new ATOM 442 N ASN A 30 26.246 -12.625 1.483 1.00 55.21 N ATOM 443 CA ASN A 30 26.783 -12.082 2.725 1.00 13.42 C ATOM 444 C ASN A 30 27.836 -11.015 2.442 1.00 24.30 C ATOM 445 O ASN A 30 28.885 -11.302 1.865 1.00 21.15 O ATOM 446 CB ASN A 30 27.389 -13.200 3.575 1.00 34.23 C ATOM 447 CG ASN A 30 27.689 -12.752 4.992 1.00 12.54 C ATOM 448 OD1 ASN A 30 26.986 -13.120 5.934 1.00 43.31 O ATOM 449 ND2 ASN A 30 28.737 -11.952 5.150 1.00 0.40 N ATOM 0 H ASN A 30 26.594 -13.553 1.243 1.00 55.21 H new ATOM 0 HA ASN A 30 25.963 -11.621 3.275 1.00 13.42 H new ATOM 0 HB2 ASN A 30 26.701 -14.045 3.602 1.00 34.23 H new ATOM 0 HB3 ASN A 30 28.308 -13.552 3.106 1.00 34.23 H new ATOM 0 HD21 ASN A 30 28.987 -11.617 6.080 1.00 0.40 H new ATOM 0 HD22 ASN A 30 29.292 -11.672 4.341 1.00 0.40 H new ATOM 456 N ALA A 31 27.550 -9.784 2.852 1.00 34.24 N ATOM 457 CA ALA A 31 28.473 -8.675 2.646 1.00 60.55 C ATOM 458 C ALA A 31 28.469 -7.728 3.840 1.00 5.12 C ATOM 459 O ALA A 31 27.417 -7.429 4.406 1.00 5.05 O ATOM 460 CB ALA A 31 28.117 -7.923 1.372 1.00 65.23 C ATOM 0 H ALA A 31 26.685 -9.529 3.329 1.00 34.24 H new ATOM 0 HA ALA A 31 29.478 -9.085 2.545 1.00 60.55 H new ATOM 0 HB1 ALA A 31 28.814 -7.097 1.230 1.00 65.23 H new ATOM 0 HB2 ALA A 31 28.179 -8.600 0.520 1.00 65.23 H new ATOM 0 HB3 ALA A 31 27.103 -7.532 1.452 1.00 65.23 H new ATOM 466 N THR A 32 29.654 -7.258 4.220 1.00 15.35 N ATOM 467 CA THR A 32 29.787 -6.346 5.349 1.00 1.52 C ATOM 468 C THR A 32 29.832 -4.895 4.882 1.00 63.33 C ATOM 469 O THR A 32 30.833 -4.444 4.325 1.00 14.30 O ATOM 470 CB THR A 32 31.055 -6.648 6.169 1.00 22.44 C ATOM 471 OG1 THR A 32 31.024 -8.001 6.639 1.00 53.04 O ATOM 472 CG2 THR A 32 31.175 -5.699 7.352 1.00 54.22 C ATOM 0 H THR A 32 30.534 -7.494 3.762 1.00 15.35 H new ATOM 0 HA THR A 32 28.911 -6.495 5.980 1.00 1.52 H new ATOM 0 HB THR A 32 31.920 -6.507 5.522 1.00 22.44 H new ATOM 0 HG1 THR A 32 31.835 -8.186 7.158 1.00 53.04 H new ATOM 0 HG21 THR A 32 32.078 -5.932 7.916 1.00 54.22 H new ATOM 0 HG22 THR A 32 31.228 -4.672 6.991 1.00 54.22 H new ATOM 0 HG23 THR A 32 30.305 -5.812 7.999 1.00 54.22 H new ATOM 480 N ALA A 33 28.743 -4.170 5.112 1.00 11.22 N ATOM 481 CA ALA A 33 28.660 -2.769 4.717 1.00 70.31 C ATOM 482 C ALA A 33 28.031 -1.924 5.819 1.00 32.12 C ATOM 483 O ALA A 33 27.166 -2.394 6.559 1.00 63.11 O ATOM 484 CB ALA A 33 27.867 -2.632 3.426 1.00 51.53 C ATOM 0 H ALA A 33 27.905 -4.529 5.570 1.00 11.22 H new ATOM 0 HA ALA A 33 29.673 -2.403 4.549 1.00 70.31 H new ATOM 0 HB1 ALA A 33 27.813 -1.581 3.142 1.00 51.53 H new ATOM 0 HB2 ALA A 33 28.360 -3.197 2.635 1.00 51.53 H new ATOM 0 HB3 ALA A 33 26.859 -3.020 3.575 1.00 51.53 H new ATOM 490 N VAL A 34 28.471 -0.674 5.924 1.00 33.00 N ATOM 491 CA VAL A 34 27.950 0.237 6.936 1.00 2.22 C ATOM 492 C VAL A 34 27.053 1.299 6.310 1.00 0.14 C ATOM 493 O VAL A 34 27.522 2.172 5.580 1.00 2.01 O ATOM 494 CB VAL A 34 29.090 0.932 7.705 1.00 33.23 C ATOM 495 CG1 VAL A 34 30.080 1.563 6.738 1.00 32.22 C ATOM 496 CG2 VAL A 34 28.529 1.973 8.662 1.00 52.21 C ATOM 0 H VAL A 34 29.187 -0.269 5.321 1.00 33.00 H new ATOM 0 HA VAL A 34 27.365 -0.364 7.632 1.00 2.22 H new ATOM 0 HB VAL A 34 29.620 0.181 8.291 1.00 33.23 H new ATOM 0 HG11 VAL A 34 30.878 2.049 7.300 1.00 32.22 H new ATOM 0 HG12 VAL A 34 30.506 0.791 6.097 1.00 32.22 H new ATOM 0 HG13 VAL A 34 29.567 2.302 6.123 1.00 32.22 H new ATOM 0 HG21 VAL A 34 29.348 2.454 9.197 1.00 52.21 H new ATOM 0 HG22 VAL A 34 27.973 2.723 8.099 1.00 52.21 H new ATOM 0 HG23 VAL A 34 27.863 1.489 9.377 1.00 52.21 H new ATOM 506 N VAL A 35 25.759 1.219 6.602 1.00 75.01 N ATOM 507 CA VAL A 35 24.794 2.174 6.069 1.00 4.23 C ATOM 508 C VAL A 35 23.956 2.788 7.184 1.00 11.55 C ATOM 509 O VAL A 35 23.558 2.102 8.126 1.00 41.40 O ATOM 510 CB VAL A 35 23.857 1.512 5.042 1.00 32.13 C ATOM 511 CG1 VAL A 35 22.824 2.510 4.541 1.00 71.52 C ATOM 512 CG2 VAL A 35 24.658 0.934 3.885 1.00 12.22 C ATOM 0 H VAL A 35 25.354 0.503 7.205 1.00 75.01 H new ATOM 0 HA VAL A 35 25.366 2.959 5.574 1.00 4.23 H new ATOM 0 HB VAL A 35 23.329 0.694 5.532 1.00 32.13 H new ATOM 0 HG11 VAL A 35 22.171 2.024 3.816 1.00 71.52 H new ATOM 0 HG12 VAL A 35 22.230 2.871 5.380 1.00 71.52 H new ATOM 0 HG13 VAL A 35 23.330 3.351 4.067 1.00 71.52 H new ATOM 0 HG21 VAL A 35 23.980 0.470 3.169 1.00 12.22 H new ATOM 0 HG22 VAL A 35 25.215 1.732 3.393 1.00 12.22 H new ATOM 0 HG23 VAL A 35 25.354 0.185 4.263 1.00 12.22 H new ATOM 522 N SER A 36 23.690 4.086 7.072 1.00 61.15 N ATOM 523 CA SER A 36 22.901 4.795 8.072 1.00 20.43 C ATOM 524 C SER A 36 21.841 5.669 7.409 1.00 31.31 C ATOM 525 O SER A 36 21.887 5.911 6.203 1.00 40.33 O ATOM 526 CB SER A 36 23.809 5.655 8.953 1.00 22.43 C ATOM 527 OG SER A 36 24.015 6.933 8.378 1.00 4.21 O ATOM 0 H SER A 36 24.010 4.668 6.298 1.00 61.15 H new ATOM 0 HA SER A 36 22.399 4.054 8.694 1.00 20.43 H new ATOM 0 HB2 SER A 36 23.363 5.765 9.942 1.00 22.43 H new ATOM 0 HB3 SER A 36 24.768 5.155 9.089 1.00 22.43 H new ATOM 0 HG SER A 36 24.597 7.464 8.961 1.00 4.21 H new ATOM 533 N ILE A 37 20.887 6.138 8.206 1.00 2.31 N ATOM 534 CA ILE A 37 19.816 6.986 7.698 1.00 41.15 C ATOM 535 C ILE A 37 19.935 8.407 8.239 1.00 64.31 C ATOM 536 O ILE A 37 20.472 8.625 9.325 1.00 51.10 O ATOM 537 CB ILE A 37 18.430 6.423 8.065 1.00 43.52 C ATOM 538 CG1 ILE A 37 17.878 7.135 9.302 1.00 43.13 C ATOM 539 CG2 ILE A 37 18.514 4.923 8.303 1.00 10.24 C ATOM 540 CD1 ILE A 37 18.626 6.803 10.574 1.00 41.00 C ATOM 0 H ILE A 37 20.834 5.945 9.206 1.00 2.31 H new ATOM 0 HA ILE A 37 19.916 7.004 6.613 1.00 41.15 H new ATOM 0 HB ILE A 37 17.749 6.601 7.233 1.00 43.52 H new ATOM 0 HG12 ILE A 37 17.916 8.212 9.138 1.00 43.13 H new ATOM 0 HG13 ILE A 37 16.829 6.868 9.427 1.00 43.13 H new ATOM 0 HG21 ILE A 37 17.527 4.540 8.561 1.00 10.24 H new ATOM 0 HG22 ILE A 37 18.869 4.430 7.398 1.00 10.24 H new ATOM 0 HG23 ILE A 37 19.206 4.723 9.121 1.00 10.24 H new ATOM 0 HD11 ILE A 37 18.180 7.343 11.410 1.00 41.00 H new ATOM 0 HD12 ILE A 37 18.567 5.731 10.762 1.00 41.00 H new ATOM 0 HD13 ILE A 37 19.671 7.096 10.469 1.00 41.00 H new ATOM 552 N SER A 38 19.430 9.370 7.475 1.00 71.33 N ATOM 553 CA SER A 38 19.481 10.770 7.876 1.00 3.55 C ATOM 554 C SER A 38 18.882 11.667 6.797 1.00 1.45 C ATOM 555 O SER A 38 18.538 11.205 5.711 1.00 42.15 O ATOM 556 CB SER A 38 20.925 11.189 8.160 1.00 42.12 C ATOM 557 OG SER A 38 21.388 12.112 7.189 1.00 25.21 O ATOM 0 H SER A 38 18.981 9.206 6.574 1.00 71.33 H new ATOM 0 HA SER A 38 18.892 10.883 8.786 1.00 3.55 H new ATOM 0 HB2 SER A 38 20.989 11.637 9.152 1.00 42.12 H new ATOM 0 HB3 SER A 38 21.568 10.309 8.166 1.00 42.12 H new ATOM 0 HG SER A 38 22.312 12.366 7.393 1.00 25.21 H new ATOM 563 N GLY A 39 18.760 12.955 7.107 1.00 23.21 N ATOM 564 CA GLY A 39 18.203 13.897 6.155 1.00 54.22 C ATOM 565 C GLY A 39 17.826 15.217 6.798 1.00 0.11 C ATOM 566 O GLY A 39 17.790 16.252 6.133 1.00 22.24 O ATOM 0 H GLY A 39 19.037 13.362 8.000 1.00 23.21 H new ATOM 0 HA2 GLY A 39 18.927 14.077 5.361 1.00 54.22 H new ATOM 0 HA3 GLY A 39 17.321 13.459 5.689 1.00 54.22 H new ATOM 570 N GLY A 40 17.542 15.181 8.097 1.00 45.53 N ATOM 571 CA GLY A 40 17.168 16.390 8.808 1.00 64.03 C ATOM 572 C GLY A 40 17.440 16.295 10.296 1.00 71.40 C ATOM 573 O GLY A 40 18.594 16.287 10.724 1.00 20.50 O ATOM 0 H GLY A 40 17.564 14.337 8.669 1.00 45.53 H new ATOM 0 HA2 GLY A 40 17.718 17.236 8.395 1.00 64.03 H new ATOM 0 HA3 GLY A 40 16.108 16.589 8.647 1.00 64.03 H new ATOM 577 N SER A 41 16.374 16.224 11.087 1.00 21.21 N ATOM 578 CA SER A 41 16.503 16.134 12.537 1.00 51.31 C ATOM 579 C SER A 41 15.979 14.795 13.047 1.00 13.51 C ATOM 580 O SER A 41 15.216 14.113 12.364 1.00 43.32 O ATOM 581 CB SER A 41 15.746 17.281 13.209 1.00 14.11 C ATOM 582 OG SER A 41 16.524 18.465 13.227 1.00 22.14 O ATOM 0 H SER A 41 15.412 16.227 10.748 1.00 21.21 H new ATOM 0 HA SER A 41 17.561 16.210 12.789 1.00 51.31 H new ATOM 0 HB2 SER A 41 14.812 17.464 12.678 1.00 14.11 H new ATOM 0 HB3 SER A 41 15.483 16.999 14.229 1.00 14.11 H new ATOM 0 HG SER A 41 16.017 19.183 13.660 1.00 22.14 H new ATOM 588 N GLY A 42 16.394 14.426 14.255 1.00 61.31 N ATOM 589 CA GLY A 42 15.957 13.170 14.837 1.00 5.35 C ATOM 590 C GLY A 42 14.454 13.107 15.018 1.00 32.03 C ATOM 591 O GLY A 42 13.919 13.610 16.007 1.00 71.14 O ATOM 0 H GLY A 42 17.024 14.974 14.841 1.00 61.31 H new ATOM 0 HA2 GLY A 42 16.278 12.346 14.199 1.00 5.35 H new ATOM 0 HA3 GLY A 42 16.442 13.033 15.803 1.00 5.35 H new ATOM 595 N ASP A 43 13.770 12.489 14.061 1.00 1.24 N ATOM 596 CA ASP A 43 12.318 12.363 14.119 1.00 24.50 C ATOM 597 C ASP A 43 11.884 10.936 13.797 1.00 23.13 C ATOM 598 O ASP A 43 10.966 10.401 14.418 1.00 3.12 O ATOM 599 CB ASP A 43 11.661 13.341 13.145 1.00 53.02 C ATOM 600 CG ASP A 43 10.537 14.130 13.787 1.00 2.53 C ATOM 601 OD1 ASP A 43 9.568 13.503 14.262 1.00 30.15 O ATOM 602 OD2 ASP A 43 10.627 15.376 13.814 1.00 13.02 O ATOM 0 H ASP A 43 14.197 12.068 13.236 1.00 1.24 H new ATOM 0 HA ASP A 43 11.997 12.602 15.133 1.00 24.50 H new ATOM 0 HB2 ASP A 43 12.414 14.031 12.764 1.00 53.02 H new ATOM 0 HB3 ASP A 43 11.271 12.790 12.289 1.00 53.02 H new ATOM 607 N ALA A 44 12.550 10.326 12.822 1.00 20.11 N ATOM 608 CA ALA A 44 12.234 8.962 12.419 1.00 73.55 C ATOM 609 C ALA A 44 13.193 7.963 13.058 1.00 12.42 C ATOM 610 O ALA A 44 14.405 8.037 12.857 1.00 62.41 O ATOM 611 CB ALA A 44 12.273 8.837 10.903 1.00 71.04 C ATOM 0 H ALA A 44 13.312 10.755 12.297 1.00 20.11 H new ATOM 0 HA ALA A 44 11.227 8.732 12.767 1.00 73.55 H new ATOM 0 HB1 ALA A 44 12.035 7.813 10.616 1.00 71.04 H new ATOM 0 HB2 ALA A 44 11.543 9.516 10.463 1.00 71.04 H new ATOM 0 HB3 ALA A 44 13.269 9.093 10.542 1.00 71.04 H new ATOM 617 N ASP A 45 12.643 7.033 13.830 1.00 75.52 N ATOM 618 CA ASP A 45 13.450 6.019 14.499 1.00 13.01 C ATOM 619 C ASP A 45 13.787 4.876 13.546 1.00 11.52 C ATOM 620 O ASP A 45 13.144 4.709 12.509 1.00 64.13 O ATOM 621 CB ASP A 45 12.713 5.477 15.725 1.00 75.14 C ATOM 622 CG ASP A 45 11.852 6.529 16.395 1.00 55.41 C ATOM 623 OD1 ASP A 45 12.322 7.677 16.539 1.00 10.44 O ATOM 624 OD2 ASP A 45 10.707 6.205 16.774 1.00 11.52 O ATOM 0 H ASP A 45 11.641 6.960 14.008 1.00 75.52 H new ATOM 0 HA ASP A 45 14.381 6.486 14.821 1.00 13.01 H new ATOM 0 HB2 ASP A 45 12.087 4.636 15.427 1.00 75.14 H new ATOM 0 HB3 ASP A 45 13.439 5.095 16.443 1.00 75.14 H new ATOM 629 N LEU A 46 14.799 4.094 13.904 1.00 32.32 N ATOM 630 CA LEU A 46 15.223 2.967 13.081 1.00 72.24 C ATOM 631 C LEU A 46 15.080 1.652 13.841 1.00 11.31 C ATOM 632 O LEU A 46 15.545 1.525 14.974 1.00 41.01 O ATOM 633 CB LEU A 46 16.673 3.155 12.632 1.00 22.41 C ATOM 634 CG LEU A 46 17.258 2.038 11.767 1.00 40.05 C ATOM 635 CD1 LEU A 46 18.320 2.590 10.828 1.00 10.55 C ATOM 636 CD2 LEU A 46 17.837 0.934 12.639 1.00 0.25 C ATOM 0 H LEU A 46 15.341 4.220 14.759 1.00 32.32 H new ATOM 0 HA LEU A 46 14.579 2.929 12.202 1.00 72.24 H new ATOM 0 HB2 LEU A 46 16.742 4.091 12.077 1.00 22.41 H new ATOM 0 HB3 LEU A 46 17.296 3.264 13.520 1.00 22.41 H new ATOM 0 HG LEU A 46 16.455 1.614 11.165 1.00 40.05 H new ATOM 0 HD11 LEU A 46 18.725 1.781 10.221 1.00 10.55 H new ATOM 0 HD12 LEU A 46 17.875 3.344 10.178 1.00 10.55 H new ATOM 0 HD13 LEU A 46 19.122 3.042 11.411 1.00 10.55 H new ATOM 0 HD21 LEU A 46 18.249 0.148 12.006 1.00 0.25 H new ATOM 0 HD22 LEU A 46 18.627 1.344 13.268 1.00 0.25 H new ATOM 0 HD23 LEU A 46 17.051 0.518 13.269 1.00 0.25 H new ATOM 648 N TYR A 47 14.436 0.677 13.210 1.00 33.01 N ATOM 649 CA TYR A 47 14.231 -0.628 13.827 1.00 23.22 C ATOM 650 C TYR A 47 14.566 -1.751 12.850 1.00 34.10 C ATOM 651 O TYR A 47 14.359 -1.622 11.643 1.00 75.04 O ATOM 652 CB TYR A 47 12.786 -0.768 14.307 1.00 73.10 C ATOM 653 CG TYR A 47 12.520 -0.093 15.634 1.00 60.23 C ATOM 654 CD1 TYR A 47 13.178 -0.501 16.787 1.00 33.43 C ATOM 655 CD2 TYR A 47 11.612 0.954 15.733 1.00 34.40 C ATOM 656 CE1 TYR A 47 12.937 0.112 18.002 1.00 64.05 C ATOM 657 CE2 TYR A 47 11.366 1.574 16.943 1.00 61.22 C ATOM 658 CZ TYR A 47 12.031 1.149 18.074 1.00 10.12 C ATOM 659 OH TYR A 47 11.790 1.764 19.282 1.00 72.44 O ATOM 0 H TYR A 47 14.047 0.765 12.271 1.00 33.01 H new ATOM 0 HA TYR A 47 14.900 -0.705 14.684 1.00 23.22 H new ATOM 0 HB2 TYR A 47 12.120 -0.346 13.554 1.00 73.10 H new ATOM 0 HB3 TYR A 47 12.541 -1.827 14.392 1.00 73.10 H new ATOM 0 HD1 TYR A 47 13.890 -1.311 16.733 1.00 33.43 H new ATOM 0 HD2 TYR A 47 11.090 1.289 14.849 1.00 34.40 H new ATOM 0 HE1 TYR A 47 13.455 -0.219 18.890 1.00 64.05 H new ATOM 0 HE2 TYR A 47 10.657 2.387 17.003 1.00 61.22 H new ATOM 0 HH TYR A 47 11.873 2.735 19.177 1.00 72.44 H new ATOM 669 N LEU A 48 15.084 -2.853 13.381 1.00 75.33 N ATOM 670 CA LEU A 48 15.447 -4.001 12.557 1.00 33.31 C ATOM 671 C LEU A 48 15.387 -5.293 13.366 1.00 12.14 C ATOM 672 O LEU A 48 15.894 -5.361 14.486 1.00 10.02 O ATOM 673 CB LEU A 48 16.850 -3.814 11.977 1.00 73.21 C ATOM 674 CG LEU A 48 17.059 -4.322 10.550 1.00 62.40 C ATOM 675 CD1 LEU A 48 18.515 -4.169 10.137 1.00 32.21 C ATOM 676 CD2 LEU A 48 16.619 -5.774 10.431 1.00 61.21 C ATOM 0 H LEU A 48 15.262 -2.976 14.378 1.00 75.33 H new ATOM 0 HA LEU A 48 14.729 -4.072 11.740 1.00 33.31 H new ATOM 0 HB2 LEU A 48 17.093 -2.752 12.003 1.00 73.21 H new ATOM 0 HB3 LEU A 48 17.562 -4.320 12.629 1.00 73.21 H new ATOM 0 HG LEU A 48 16.447 -3.721 9.878 1.00 62.40 H new ATOM 0 HD11 LEU A 48 18.645 -4.536 9.119 1.00 32.21 H new ATOM 0 HD12 LEU A 48 18.798 -3.117 10.183 1.00 32.21 H new ATOM 0 HD13 LEU A 48 19.147 -4.744 10.813 1.00 32.21 H new ATOM 0 HD21 LEU A 48 16.775 -6.119 9.409 1.00 61.21 H new ATOM 0 HD22 LEU A 48 17.204 -6.389 11.115 1.00 61.21 H new ATOM 0 HD23 LEU A 48 15.562 -5.856 10.684 1.00 61.21 H new ATOM 688 N LYS A 49 14.765 -6.317 12.791 1.00 4.14 N ATOM 689 CA LYS A 49 14.642 -7.609 13.457 1.00 54.45 C ATOM 690 C LYS A 49 14.724 -8.750 12.448 1.00 10.00 C ATOM 691 O LYS A 49 13.925 -8.825 11.515 1.00 33.44 O ATOM 692 CB LYS A 49 13.319 -7.686 14.223 1.00 5.24 C ATOM 693 CG LYS A 49 13.494 -7.911 15.715 1.00 31.32 C ATOM 694 CD LYS A 49 12.156 -8.095 16.412 1.00 70.44 C ATOM 695 CE LYS A 49 12.102 -9.409 17.177 1.00 52.15 C ATOM 696 NZ LYS A 49 11.568 -10.518 16.338 1.00 42.43 N ATOM 0 H LYS A 49 14.338 -6.277 11.865 1.00 4.14 H new ATOM 0 HA LYS A 49 15.469 -7.708 14.160 1.00 54.45 H new ATOM 0 HB2 LYS A 49 12.763 -6.762 14.066 1.00 5.24 H new ATOM 0 HB3 LYS A 49 12.716 -8.495 13.810 1.00 5.24 H new ATOM 0 HG2 LYS A 49 14.116 -8.791 15.881 1.00 31.32 H new ATOM 0 HG3 LYS A 49 14.020 -7.062 16.153 1.00 31.32 H new ATOM 0 HD2 LYS A 49 11.985 -7.266 17.099 1.00 70.44 H new ATOM 0 HD3 LYS A 49 11.354 -8.069 15.675 1.00 70.44 H new ATOM 0 HE2 LYS A 49 13.102 -9.667 17.527 1.00 52.15 H new ATOM 0 HE3 LYS A 49 11.476 -9.289 18.061 1.00 52.15 H new ATOM 0 HZ1 LYS A 49 10.813 -11.012 16.855 1.00 42.43 H new ATOM 0 HZ2 LYS A 49 11.184 -10.130 15.453 1.00 42.43 H new ATOM 0 HZ3 LYS A 49 12.333 -11.187 16.119 1.00 42.43 H new ATOM 710 N ALA A 50 15.695 -9.637 12.643 1.00 54.33 N ATOM 711 CA ALA A 50 15.878 -10.776 11.752 1.00 4.11 C ATOM 712 C ALA A 50 14.825 -11.848 12.008 1.00 74.05 C ATOM 713 O ALA A 50 15.028 -12.751 12.818 1.00 74.33 O ATOM 714 CB ALA A 50 17.275 -11.356 11.919 1.00 42.25 C ATOM 0 H ALA A 50 16.366 -9.588 13.409 1.00 54.33 H new ATOM 0 HA ALA A 50 15.761 -10.426 10.726 1.00 4.11 H new ATOM 0 HB1 ALA A 50 17.399 -12.206 11.248 1.00 42.25 H new ATOM 0 HB2 ALA A 50 18.016 -10.594 11.680 1.00 42.25 H new ATOM 0 HB3 ALA A 50 17.412 -11.684 12.949 1.00 42.25 H new ATOM 720 N GLY A 51 13.697 -11.741 11.311 1.00 61.12 N ATOM 721 CA GLY A 51 12.628 -12.708 11.477 1.00 14.15 C ATOM 722 C GLY A 51 11.258 -12.059 11.497 1.00 33.42 C ATOM 723 O GLY A 51 10.575 -12.003 10.474 1.00 4.22 O ATOM 0 H GLY A 51 13.505 -11.002 10.635 1.00 61.12 H new ATOM 0 HA2 GLY A 51 12.671 -13.435 10.666 1.00 14.15 H new ATOM 0 HA3 GLY A 51 12.780 -13.257 12.406 1.00 14.15 H new ATOM 727 N SER A 52 10.853 -11.570 12.665 1.00 60.10 N ATOM 728 CA SER A 52 9.553 -10.927 12.815 1.00 32.31 C ATOM 729 C SER A 52 9.707 -9.415 12.950 1.00 34.42 C ATOM 730 O SER A 52 10.549 -8.930 13.705 1.00 3.21 O ATOM 731 CB SER A 52 8.821 -11.488 14.036 1.00 1.11 C ATOM 732 OG SER A 52 9.084 -12.871 14.198 1.00 70.04 O ATOM 0 H SER A 52 11.407 -11.607 13.521 1.00 60.10 H new ATOM 0 HA SER A 52 8.966 -11.136 11.921 1.00 32.31 H new ATOM 0 HB2 SER A 52 9.133 -10.948 14.930 1.00 1.11 H new ATOM 0 HB3 SER A 52 7.748 -11.329 13.925 1.00 1.11 H new ATOM 0 HG SER A 52 8.606 -13.205 14.986 1.00 70.04 H new ATOM 738 N LYS A 53 8.886 -8.675 12.212 1.00 31.44 N ATOM 739 CA LYS A 53 8.928 -7.218 12.249 1.00 75.44 C ATOM 740 C LYS A 53 9.102 -6.714 13.678 1.00 72.43 C ATOM 741 O LYS A 53 8.355 -7.079 14.586 1.00 75.24 O ATOM 742 CB LYS A 53 7.648 -6.636 11.644 1.00 42.15 C ATOM 743 CG LYS A 53 7.849 -5.284 10.981 1.00 4.25 C ATOM 744 CD LYS A 53 7.355 -4.151 11.865 1.00 32.12 C ATOM 745 CE LYS A 53 5.918 -3.775 11.538 1.00 72.33 C ATOM 746 NZ LYS A 53 5.072 -4.977 11.296 1.00 14.33 N ATOM 0 H LYS A 53 8.183 -9.061 11.581 1.00 31.44 H new ATOM 0 HA LYS A 53 9.784 -6.889 11.660 1.00 75.44 H new ATOM 0 HB2 LYS A 53 7.252 -7.337 10.909 1.00 42.15 H new ATOM 0 HB3 LYS A 53 6.897 -6.539 12.428 1.00 42.15 H new ATOM 0 HG2 LYS A 53 8.907 -5.140 10.760 1.00 4.25 H new ATOM 0 HG3 LYS A 53 7.318 -5.262 10.029 1.00 4.25 H new ATOM 0 HD2 LYS A 53 7.426 -4.447 12.912 1.00 32.12 H new ATOM 0 HD3 LYS A 53 7.998 -3.281 11.736 1.00 32.12 H new ATOM 0 HE2 LYS A 53 5.498 -3.195 12.360 1.00 72.33 H new ATOM 0 HE3 LYS A 53 5.902 -3.136 10.655 1.00 72.33 H new ATOM 0 HZ1 LYS A 53 4.073 -4.694 11.244 1.00 14.33 H new ATOM 0 HZ2 LYS A 53 5.352 -5.424 10.400 1.00 14.33 H new ATOM 0 HZ3 LYS A 53 5.200 -5.654 12.075 1.00 14.33 H new ATOM 760 N PRO A 54 10.110 -5.855 13.884 1.00 4.30 N ATOM 761 CA PRO A 54 10.405 -5.281 15.200 1.00 14.35 C ATOM 762 C PRO A 54 9.337 -4.290 15.652 1.00 5.43 C ATOM 763 O PRO A 54 8.793 -3.536 14.845 1.00 41.40 O ATOM 764 CB PRO A 54 11.741 -4.566 14.985 1.00 21.33 C ATOM 765 CG PRO A 54 11.773 -4.253 13.529 1.00 23.32 C ATOM 766 CD PRO A 54 11.041 -5.376 12.848 1.00 60.10 C ATOM 0 HA PRO A 54 10.435 -6.043 15.979 1.00 14.35 H new ATOM 0 HB2 PRO A 54 11.806 -3.659 15.586 1.00 21.33 H new ATOM 0 HB3 PRO A 54 12.580 -5.200 15.272 1.00 21.33 H new ATOM 0 HG2 PRO A 54 11.295 -3.295 13.325 1.00 23.32 H new ATOM 0 HG3 PRO A 54 12.799 -4.180 13.168 1.00 23.32 H new ATOM 0 HD2 PRO A 54 10.511 -5.030 11.960 1.00 60.10 H new ATOM 0 HD3 PRO A 54 11.723 -6.163 12.526 1.00 60.10 H new ATOM 774 N THR A 55 9.042 -4.295 16.949 1.00 41.04 N ATOM 775 CA THR A 55 8.040 -3.397 17.508 1.00 74.02 C ATOM 776 C THR A 55 8.689 -2.304 18.349 1.00 34.01 C ATOM 777 O THR A 55 9.909 -2.275 18.514 1.00 13.54 O ATOM 778 CB THR A 55 7.022 -4.161 18.376 1.00 64.51 C ATOM 779 OG1 THR A 55 7.459 -4.182 19.739 1.00 3.44 O ATOM 780 CG2 THR A 55 6.845 -5.586 17.874 1.00 63.52 C ATOM 0 H THR A 55 9.483 -4.911 17.631 1.00 41.04 H new ATOM 0 HA THR A 55 7.519 -2.942 16.666 1.00 74.02 H new ATOM 0 HB THR A 55 6.063 -3.647 18.310 1.00 64.51 H new ATOM 0 HG1 THR A 55 6.754 -3.817 20.314 1.00 3.44 H new ATOM 0 HG21 THR A 55 6.122 -6.106 18.502 1.00 63.52 H new ATOM 0 HG22 THR A 55 6.485 -5.567 16.845 1.00 63.52 H new ATOM 0 HG23 THR A 55 7.801 -6.107 17.914 1.00 63.52 H new ATOM 788 N THR A 56 7.866 -1.405 18.881 1.00 75.51 N ATOM 789 CA THR A 56 8.360 -0.310 19.705 1.00 14.12 C ATOM 790 C THR A 56 9.080 -0.834 20.942 1.00 64.11 C ATOM 791 O THR A 56 9.830 -0.105 21.591 1.00 12.41 O ATOM 792 CB THR A 56 7.215 0.620 20.148 1.00 14.51 C ATOM 793 OG1 THR A 56 6.337 -0.074 21.041 1.00 74.11 O ATOM 794 CG2 THR A 56 6.430 1.123 18.946 1.00 72.02 C ATOM 0 H THR A 56 6.854 -1.415 18.755 1.00 75.51 H new ATOM 0 HA THR A 56 9.062 0.255 19.092 1.00 14.12 H new ATOM 0 HB THR A 56 7.651 1.477 20.661 1.00 14.51 H new ATOM 0 HG1 THR A 56 5.613 0.525 21.319 1.00 74.11 H new ATOM 0 HG21 THR A 56 5.627 1.778 19.284 1.00 72.02 H new ATOM 0 HG22 THR A 56 7.095 1.677 18.283 1.00 72.02 H new ATOM 0 HG23 THR A 56 6.005 0.275 18.408 1.00 72.02 H new ATOM 802 N SER A 57 8.850 -2.103 21.262 1.00 34.33 N ATOM 803 CA SER A 57 9.475 -2.724 22.424 1.00 62.42 C ATOM 804 C SER A 57 10.387 -3.872 22.001 1.00 44.11 C ATOM 805 O SER A 57 11.334 -4.219 22.707 1.00 61.43 O ATOM 806 CB SER A 57 8.407 -3.237 23.392 1.00 61.03 C ATOM 807 OG SER A 57 7.819 -2.169 24.114 1.00 74.21 O ATOM 0 H SER A 57 8.235 -2.722 20.733 1.00 34.33 H new ATOM 0 HA SER A 57 10.079 -1.969 22.928 1.00 62.42 H new ATOM 0 HB2 SER A 57 7.637 -3.773 22.838 1.00 61.03 H new ATOM 0 HB3 SER A 57 8.853 -3.948 24.087 1.00 61.03 H new ATOM 0 HG SER A 57 7.139 -2.522 24.724 1.00 74.21 H new ATOM 813 N SER A 58 10.095 -4.457 20.844 1.00 54.43 N ATOM 814 CA SER A 58 10.885 -5.568 20.327 1.00 0.31 C ATOM 815 C SER A 58 11.827 -5.097 19.223 1.00 73.33 C ATOM 816 O SER A 58 11.395 -4.500 18.237 1.00 40.12 O ATOM 817 CB SER A 58 9.967 -6.670 19.795 1.00 23.21 C ATOM 818 OG SER A 58 10.210 -7.900 20.457 1.00 44.53 O ATOM 0 H SER A 58 9.316 -4.180 20.246 1.00 54.43 H new ATOM 0 HA SER A 58 11.484 -5.968 21.145 1.00 0.31 H new ATOM 0 HB2 SER A 58 8.926 -6.379 19.933 1.00 23.21 H new ATOM 0 HB3 SER A 58 10.124 -6.793 18.723 1.00 23.21 H new ATOM 0 HG SER A 58 9.610 -8.588 20.100 1.00 44.53 H new ATOM 824 N TRP A 59 13.115 -5.371 19.396 1.00 34.21 N ATOM 825 CA TRP A 59 14.119 -4.976 18.415 1.00 74.33 C ATOM 826 C TRP A 59 15.321 -5.913 18.459 1.00 0.30 C ATOM 827 O TRP A 59 15.611 -6.517 19.492 1.00 43.41 O ATOM 828 CB TRP A 59 14.569 -3.536 18.666 1.00 34.21 C ATOM 829 CG TRP A 59 14.230 -3.039 20.039 1.00 24.41 C ATOM 830 CD1 TRP A 59 13.110 -2.351 20.409 1.00 63.12 C ATOM 831 CD2 TRP A 59 15.020 -3.191 21.224 1.00 51.02 C ATOM 832 NE1 TRP A 59 13.156 -2.066 21.752 1.00 11.41 N ATOM 833 CE2 TRP A 59 14.317 -2.571 22.275 1.00 13.12 C ATOM 834 CE3 TRP A 59 16.251 -3.792 21.499 1.00 0.14 C ATOM 835 CZ2 TRP A 59 14.806 -2.535 23.578 1.00 1.21 C ATOM 836 CZ3 TRP A 59 16.736 -3.755 22.793 1.00 15.10 C ATOM 837 CH2 TRP A 59 16.014 -3.131 23.819 1.00 0.14 C ATOM 0 H TRP A 59 13.489 -5.865 20.206 1.00 34.21 H new ATOM 0 HA TRP A 59 13.668 -5.040 17.425 1.00 74.33 H new ATOM 0 HB2 TRP A 59 15.647 -3.469 18.519 1.00 34.21 H new ATOM 0 HB3 TRP A 59 14.105 -2.884 17.926 1.00 34.21 H new ATOM 0 HD1 TRP A 59 12.306 -2.072 19.744 1.00 63.12 H new ATOM 0 HE1 TRP A 59 12.441 -1.560 22.275 1.00 11.41 H new ATOM 0 HE3 TRP A 59 16.813 -4.277 20.715 1.00 0.14 H new ATOM 0 HZ2 TRP A 59 14.252 -2.054 24.370 1.00 1.21 H new ATOM 0 HZ3 TRP A 59 17.687 -4.215 23.017 1.00 15.10 H new ATOM 0 HH2 TRP A 59 16.419 -3.120 24.820 1.00 0.14 H new ATOM 848 N ASP A 60 16.017 -6.029 17.333 1.00 11.34 N ATOM 849 CA ASP A 60 17.189 -6.891 17.245 1.00 64.32 C ATOM 850 C ASP A 60 18.449 -6.071 16.986 1.00 41.13 C ATOM 851 O ASP A 60 19.530 -6.403 17.474 1.00 33.34 O ATOM 852 CB ASP A 60 17.004 -7.928 16.136 1.00 53.14 C ATOM 853 CG ASP A 60 17.989 -9.075 16.245 1.00 75.33 C ATOM 854 OD1 ASP A 60 18.275 -9.506 17.382 1.00 54.02 O ATOM 855 OD2 ASP A 60 18.472 -9.543 15.193 1.00 25.32 O ATOM 0 H ASP A 60 15.789 -5.537 16.469 1.00 11.34 H new ATOM 0 HA ASP A 60 17.302 -7.406 18.199 1.00 64.32 H new ATOM 0 HB2 ASP A 60 15.988 -8.321 16.176 1.00 53.14 H new ATOM 0 HB3 ASP A 60 17.121 -7.444 15.167 1.00 53.14 H new ATOM 860 N CYS A 61 18.303 -5.000 16.214 1.00 11.30 N ATOM 861 CA CYS A 61 19.430 -4.132 15.888 1.00 34.51 C ATOM 862 C CYS A 61 19.009 -2.666 15.903 1.00 62.44 C ATOM 863 O CYS A 61 18.093 -2.266 15.185 1.00 74.11 O ATOM 864 CB CYS A 61 20.002 -4.498 14.518 1.00 74.13 C ATOM 865 SG CYS A 61 20.502 -6.229 14.365 1.00 42.34 S ATOM 0 H CYS A 61 17.416 -4.711 15.802 1.00 11.30 H new ATOM 0 HA CYS A 61 20.200 -4.277 16.645 1.00 34.51 H new ATOM 0 HB2 CYS A 61 19.256 -4.278 13.754 1.00 74.13 H new ATOM 0 HB3 CYS A 61 20.864 -3.863 14.315 1.00 74.13 H new ATOM 0 HG CYS A 61 20.971 -6.441 13.171 1.00 42.34 H new ATOM 871 N ARG A 62 19.684 -1.871 16.726 1.00 43.23 N ATOM 872 CA ARG A 62 19.379 -0.450 16.836 1.00 51.50 C ATOM 873 C ARG A 62 20.326 0.236 17.817 1.00 70.42 C ATOM 874 O ARG A 62 20.679 -0.311 18.862 1.00 60.42 O ATOM 875 CB ARG A 62 17.930 -0.251 17.286 1.00 44.21 C ATOM 876 CG ARG A 62 17.749 -0.300 18.794 1.00 11.22 C ATOM 877 CD ARG A 62 16.370 -0.817 19.173 1.00 61.51 C ATOM 878 NE ARG A 62 15.710 0.047 20.147 1.00 35.02 N ATOM 879 CZ ARG A 62 15.994 0.044 21.445 1.00 61.33 C ATOM 880 NH1 ARG A 62 16.923 -0.774 21.921 1.00 33.10 N ATOM 881 NH2 ARG A 62 15.350 0.860 22.269 1.00 54.04 N ATOM 0 H ARG A 62 20.446 -2.187 17.326 1.00 43.23 H new ATOM 0 HA ARG A 62 19.513 0.001 15.853 1.00 51.50 H new ATOM 0 HB2 ARG A 62 17.572 0.710 16.917 1.00 44.21 H new ATOM 0 HB3 ARG A 62 17.307 -1.020 16.829 1.00 44.21 H new ATOM 0 HG2 ARG A 62 18.513 -0.942 19.233 1.00 11.22 H new ATOM 0 HG3 ARG A 62 17.893 0.697 19.211 1.00 11.22 H new ATOM 0 HD2 ARG A 62 15.752 -0.892 18.278 1.00 61.51 H new ATOM 0 HD3 ARG A 62 16.460 -1.823 19.583 1.00 61.51 H new ATOM 0 HE ARG A 62 14.991 0.689 19.813 1.00 35.02 H new ATOM 0 HH11 ARG A 62 17.421 -1.402 21.290 1.00 33.10 H new ATOM 0 HH12 ARG A 62 17.140 -0.775 22.918 1.00 33.10 H new ATOM 0 HH21 ARG A 62 14.635 1.491 21.906 1.00 54.04 H new ATOM 0 HH22 ARG A 62 15.569 0.856 23.265 1.00 54.04 H new ATOM 895 N PRO A 63 20.748 1.462 17.474 1.00 64.53 N ATOM 896 CA PRO A 63 21.660 2.248 18.310 1.00 30.32 C ATOM 897 C PRO A 63 20.997 2.729 19.596 1.00 12.31 C ATOM 898 O PRO A 63 21.308 3.809 20.100 1.00 23.41 O ATOM 899 CB PRO A 63 22.023 3.437 17.418 1.00 43.20 C ATOM 900 CG PRO A 63 20.875 3.571 16.479 1.00 72.25 C ATOM 901 CD PRO A 63 20.368 2.175 16.243 1.00 61.22 C ATOM 0 HA PRO A 63 22.521 1.664 18.635 1.00 30.32 H new ATOM 0 HB2 PRO A 63 22.162 4.345 18.005 1.00 43.20 H new ATOM 0 HB3 PRO A 63 22.955 3.259 16.881 1.00 43.20 H new ATOM 0 HG2 PRO A 63 20.095 4.203 16.904 1.00 72.25 H new ATOM 0 HG3 PRO A 63 21.188 4.036 15.544 1.00 72.25 H new ATOM 0 HD2 PRO A 63 19.289 2.160 16.087 1.00 61.22 H new ATOM 0 HD3 PRO A 63 20.824 1.725 15.361 1.00 61.22 H new ATOM 909 N TYR A 64 20.082 1.923 20.122 1.00 31.22 N ATOM 910 CA TYR A 64 19.373 2.268 21.349 1.00 42.12 C ATOM 911 C TYR A 64 19.087 3.765 21.409 1.00 12.35 C ATOM 912 O TYR A 64 19.659 4.486 22.228 1.00 61.54 O ATOM 913 CB TYR A 64 20.189 1.844 22.571 1.00 65.21 C ATOM 914 CG TYR A 64 21.679 1.795 22.317 1.00 42.02 C ATOM 915 CD1 TYR A 64 22.273 0.666 21.766 1.00 40.14 C ATOM 916 CD2 TYR A 64 22.493 2.877 22.629 1.00 60.12 C ATOM 917 CE1 TYR A 64 23.634 0.617 21.532 1.00 32.43 C ATOM 918 CE2 TYR A 64 23.854 2.837 22.398 1.00 63.14 C ATOM 919 CZ TYR A 64 24.420 1.705 21.849 1.00 20.44 C ATOM 920 OH TYR A 64 25.776 1.660 21.619 1.00 51.21 O ATOM 0 H TYR A 64 19.813 1.026 19.718 1.00 31.22 H new ATOM 0 HA TYR A 64 18.423 1.734 21.352 1.00 42.12 H new ATOM 0 HB2 TYR A 64 19.991 2.538 23.388 1.00 65.21 H new ATOM 0 HB3 TYR A 64 19.852 0.861 22.899 1.00 65.21 H new ATOM 0 HD1 TYR A 64 21.660 -0.188 21.516 1.00 40.14 H new ATOM 0 HD2 TYR A 64 22.054 3.765 23.060 1.00 60.12 H new ATOM 0 HE1 TYR A 64 24.080 -0.268 21.103 1.00 32.43 H new ATOM 0 HE2 TYR A 64 24.472 3.687 22.646 1.00 63.14 H new ATOM 0 HH TYR A 64 26.183 2.507 21.897 1.00 51.21 H new ATOM 930 N ARG A 65 18.196 4.226 20.537 1.00 1.45 N ATOM 931 CA ARG A 65 17.833 5.638 20.490 1.00 31.43 C ATOM 932 C ARG A 65 16.636 5.860 19.570 1.00 2.52 C ATOM 933 O ARG A 65 16.053 4.908 19.051 1.00 3.12 O ATOM 934 CB ARG A 65 19.020 6.476 20.013 1.00 40.02 C ATOM 935 CG ARG A 65 19.604 7.374 21.091 1.00 25.21 C ATOM 936 CD ARG A 65 20.912 8.006 20.641 1.00 22.01 C ATOM 937 NE ARG A 65 21.888 8.076 21.726 1.00 51.15 N ATOM 938 CZ ARG A 65 21.806 8.937 22.733 1.00 12.54 C ATOM 939 NH1 ARG A 65 20.798 9.797 22.795 1.00 30.31 N ATOM 940 NH2 ARG A 65 22.733 8.940 23.683 1.00 51.02 N ATOM 0 H ARG A 65 17.712 3.643 19.854 1.00 1.45 H new ATOM 0 HA ARG A 65 17.558 5.951 21.497 1.00 31.43 H new ATOM 0 HB2 ARG A 65 19.800 5.809 19.645 1.00 40.02 H new ATOM 0 HB3 ARG A 65 18.704 7.092 19.171 1.00 40.02 H new ATOM 0 HG2 ARG A 65 18.888 8.157 21.342 1.00 25.21 H new ATOM 0 HG3 ARG A 65 19.772 6.793 21.998 1.00 25.21 H new ATOM 0 HD2 ARG A 65 21.328 7.429 19.816 1.00 22.01 H new ATOM 0 HD3 ARG A 65 20.718 9.010 20.262 1.00 22.01 H new ATOM 0 HE ARG A 65 22.675 7.428 21.709 1.00 51.15 H new ATOM 0 HH11 ARG A 65 20.083 9.798 22.068 1.00 30.31 H new ATOM 0 HH12 ARG A 65 20.738 10.457 23.570 1.00 30.31 H new ATOM 0 HH21 ARG A 65 23.510 8.280 23.640 1.00 51.02 H new ATOM 0 HH22 ARG A 65 22.669 9.602 24.456 1.00 51.02 H new ATOM 954 N TYR A 66 16.275 7.124 19.373 1.00 23.52 N ATOM 955 CA TYR A 66 15.146 7.472 18.518 1.00 25.55 C ATOM 956 C TYR A 66 15.497 8.640 17.602 1.00 31.10 C ATOM 957 O TYR A 66 16.306 9.498 17.953 1.00 73.13 O ATOM 958 CB TYR A 66 13.925 7.825 19.369 1.00 23.42 C ATOM 959 CG TYR A 66 13.289 6.629 20.040 1.00 35.42 C ATOM 960 CD1 TYR A 66 13.943 5.949 21.060 1.00 61.33 C ATOM 961 CD2 TYR A 66 12.031 6.179 19.655 1.00 3.20 C ATOM 962 CE1 TYR A 66 13.365 4.855 21.675 1.00 42.12 C ATOM 963 CE2 TYR A 66 11.445 5.087 20.266 1.00 41.34 C ATOM 964 CZ TYR A 66 12.116 4.428 21.274 1.00 2.45 C ATOM 965 OH TYR A 66 11.537 3.340 21.886 1.00 55.33 O ATOM 0 H TYR A 66 16.748 7.924 19.794 1.00 23.52 H new ATOM 0 HA TYR A 66 14.911 6.606 17.899 1.00 25.55 H new ATOM 0 HB2 TYR A 66 14.220 8.545 20.132 1.00 23.42 H new ATOM 0 HB3 TYR A 66 13.183 8.315 18.739 1.00 23.42 H new ATOM 0 HD1 TYR A 66 14.920 6.281 21.378 1.00 61.33 H new ATOM 0 HD2 TYR A 66 11.503 6.692 18.865 1.00 3.20 H new ATOM 0 HE1 TYR A 66 13.888 4.337 22.465 1.00 42.12 H new ATOM 0 HE2 TYR A 66 10.466 4.751 19.956 1.00 41.34 H new ATOM 0 HH TYR A 66 11.487 2.595 21.251 1.00 55.33 H new ATOM 975 N GLY A 67 14.880 8.666 16.424 1.00 21.53 N ATOM 976 CA GLY A 67 15.138 9.732 15.475 1.00 44.12 C ATOM 977 C GLY A 67 16.201 9.360 14.460 1.00 73.05 C ATOM 978 O GLY A 67 16.974 8.427 14.674 1.00 55.23 O ATOM 0 H GLY A 67 14.206 7.967 16.111 1.00 21.53 H new ATOM 0 HA2 GLY A 67 14.214 9.982 14.954 1.00 44.12 H new ATOM 0 HA3 GLY A 67 15.452 10.626 16.014 1.00 44.12 H new ATOM 982 N ASN A 68 16.238 10.090 13.350 1.00 41.33 N ATOM 983 CA ASN A 68 17.212 9.830 12.296 1.00 3.21 C ATOM 984 C ASN A 68 18.631 9.823 12.857 1.00 62.02 C ATOM 985 O ASN A 68 18.841 10.065 14.044 1.00 2.34 O ATOM 986 CB ASN A 68 17.094 10.883 11.192 1.00 74.31 C ATOM 987 CG ASN A 68 17.844 12.158 11.525 1.00 32.35 C ATOM 988 OD1 ASN A 68 17.981 12.523 12.693 1.00 13.21 O ATOM 989 ND2 ASN A 68 18.334 12.842 10.498 1.00 33.31 N ATOM 0 H ASN A 68 15.605 10.866 13.157 1.00 41.33 H new ATOM 0 HA ASN A 68 17.001 8.847 11.875 1.00 3.21 H new ATOM 0 HB2 ASN A 68 17.479 10.472 10.259 1.00 74.31 H new ATOM 0 HB3 ASN A 68 16.042 11.116 11.027 1.00 74.31 H new ATOM 0 HD21 ASN A 68 18.848 13.708 10.661 1.00 33.31 H new ATOM 0 HD22 ASN A 68 18.196 12.502 9.546 1.00 33.31 H new ATOM 996 N ASN A 69 19.602 9.544 11.993 1.00 73.34 N ATOM 997 CA ASN A 69 21.001 9.505 12.401 1.00 21.03 C ATOM 998 C ASN A 69 21.257 8.344 13.358 1.00 74.15 C ATOM 999 O ASN A 69 22.275 8.308 14.047 1.00 43.02 O ATOM 1000 CB ASN A 69 21.396 10.825 13.067 1.00 65.24 C ATOM 1001 CG ASN A 69 22.868 11.144 12.888 1.00 41.32 C ATOM 1002 OD1 ASN A 69 23.558 10.516 12.085 1.00 61.11 O ATOM 1003 ND2 ASN A 69 23.356 12.126 13.638 1.00 73.32 N ATOM 0 H ASN A 69 19.445 9.342 11.006 1.00 73.34 H new ATOM 0 HA ASN A 69 21.610 9.358 11.509 1.00 21.03 H new ATOM 0 HB2 ASN A 69 20.798 11.634 12.647 1.00 65.24 H new ATOM 0 HB3 ASN A 69 21.164 10.776 14.131 1.00 65.24 H new ATOM 0 HD21 ASN A 69 24.339 12.386 13.561 1.00 73.32 H new ATOM 0 HD22 ASN A 69 22.747 12.620 14.291 1.00 73.32 H new ATOM 1010 N GLU A 70 20.324 7.397 13.392 1.00 24.23 N ATOM 1011 CA GLU A 70 20.449 6.235 14.264 1.00 22.32 C ATOM 1012 C GLU A 70 20.288 4.940 13.472 1.00 15.41 C ATOM 1013 O GLU A 70 19.170 4.495 13.212 1.00 30.44 O ATOM 1014 CB GLU A 70 19.407 6.294 15.383 1.00 41.41 C ATOM 1015 CG GLU A 70 19.928 6.917 16.667 1.00 12.42 C ATOM 1016 CD GLU A 70 20.815 8.121 16.414 1.00 63.40 C ATOM 1017 OE1 GLU A 70 20.282 9.175 16.010 1.00 44.41 O ATOM 1018 OE2 GLU A 70 22.042 8.008 16.619 1.00 33.33 O ATOM 0 H GLU A 70 19.475 7.412 12.827 1.00 24.23 H new ATOM 0 HA GLU A 70 21.446 6.250 14.705 1.00 22.32 H new ATOM 0 HB2 GLU A 70 18.545 6.864 15.036 1.00 41.41 H new ATOM 0 HB3 GLU A 70 19.056 5.284 15.595 1.00 41.41 H new ATOM 0 HG2 GLU A 70 19.085 7.216 17.289 1.00 12.42 H new ATOM 0 HG3 GLU A 70 20.488 6.169 17.228 1.00 12.42 H new ATOM 1025 N SER A 71 21.412 4.343 13.091 1.00 72.42 N ATOM 1026 CA SER A 71 21.396 3.102 12.325 1.00 51.05 C ATOM 1027 C SER A 71 22.395 2.099 12.893 1.00 4.43 C ATOM 1028 O SER A 71 23.197 2.433 13.767 1.00 61.13 O ATOM 1029 CB SER A 71 21.717 3.381 10.855 1.00 53.41 C ATOM 1030 OG SER A 71 21.068 4.559 10.406 1.00 23.13 O ATOM 0 H SER A 71 22.345 4.698 13.300 1.00 72.42 H new ATOM 0 HA SER A 71 20.396 2.673 12.397 1.00 51.05 H new ATOM 0 HB2 SER A 71 22.795 3.485 10.728 1.00 53.41 H new ATOM 0 HB3 SER A 71 21.404 2.534 10.244 1.00 53.41 H new ATOM 0 HG SER A 71 21.469 5.340 10.842 1.00 23.13 H new ATOM 1036 N CYS A 72 22.341 0.871 12.392 1.00 61.41 N ATOM 1037 CA CYS A 72 23.241 -0.182 12.850 1.00 74.53 C ATOM 1038 C CYS A 72 24.100 -0.701 11.701 1.00 32.12 C ATOM 1039 O CYS A 72 23.702 -0.639 10.538 1.00 32.20 O ATOM 1040 CB CYS A 72 22.442 -1.333 13.465 1.00 52.52 C ATOM 1041 SG CYS A 72 23.076 -1.901 15.060 1.00 73.43 S ATOM 0 H CYS A 72 21.684 0.579 11.669 1.00 61.41 H new ATOM 0 HA CYS A 72 23.899 0.241 13.609 1.00 74.53 H new ATOM 0 HB2 CYS A 72 21.406 -1.017 13.589 1.00 52.52 H new ATOM 0 HB3 CYS A 72 22.438 -2.171 12.768 1.00 52.52 H new ATOM 0 HG CYS A 72 22.223 -2.720 15.599 1.00 73.43 H new ATOM 1047 N SER A 73 25.281 -1.211 12.036 1.00 52.21 N ATOM 1048 CA SER A 73 26.199 -1.735 11.032 1.00 63.21 C ATOM 1049 C SER A 73 26.661 -3.142 11.400 1.00 10.01 C ATOM 1050 O SER A 73 27.427 -3.329 12.345 1.00 5.01 O ATOM 1051 CB SER A 73 27.410 -0.811 10.885 1.00 34.11 C ATOM 1052 OG SER A 73 27.728 -0.188 12.117 1.00 12.33 O ATOM 0 H SER A 73 25.624 -1.272 12.995 1.00 52.21 H new ATOM 0 HA SER A 73 25.669 -1.782 10.081 1.00 63.21 H new ATOM 0 HB2 SER A 73 28.267 -1.384 10.531 1.00 34.11 H new ATOM 0 HB3 SER A 73 27.202 -0.051 10.132 1.00 34.11 H new ATOM 0 HG SER A 73 28.506 0.396 11.997 1.00 12.33 H new ATOM 1058 N VAL A 74 26.188 -4.129 10.646 1.00 23.51 N ATOM 1059 CA VAL A 74 26.552 -5.520 10.891 1.00 44.10 C ATOM 1060 C VAL A 74 26.520 -6.332 9.601 1.00 3.20 C ATOM 1061 O VAL A 74 25.785 -6.006 8.669 1.00 62.42 O ATOM 1062 CB VAL A 74 25.611 -6.174 11.920 1.00 51.23 C ATOM 1063 CG1 VAL A 74 25.928 -5.681 13.323 1.00 0.52 C ATOM 1064 CG2 VAL A 74 24.158 -5.896 11.564 1.00 62.13 C ATOM 0 H VAL A 74 25.552 -3.992 9.860 1.00 23.51 H new ATOM 0 HA VAL A 74 27.567 -5.516 11.289 1.00 44.10 H new ATOM 0 HB VAL A 74 25.768 -7.252 11.896 1.00 51.23 H new ATOM 0 HG11 VAL A 74 25.253 -6.154 14.036 1.00 0.52 H new ATOM 0 HG12 VAL A 74 26.958 -5.936 13.574 1.00 0.52 H new ATOM 0 HG13 VAL A 74 25.801 -4.599 13.366 1.00 0.52 H new ATOM 0 HG21 VAL A 74 23.507 -6.365 12.301 1.00 62.13 H new ATOM 0 HG22 VAL A 74 23.984 -4.820 11.559 1.00 62.13 H new ATOM 0 HG23 VAL A 74 23.941 -6.303 10.577 1.00 62.13 H new ATOM 1074 N SER A 75 27.322 -7.391 9.555 1.00 43.24 N ATOM 1075 CA SER A 75 27.389 -8.248 8.377 1.00 35.52 C ATOM 1076 C SER A 75 26.134 -9.109 8.261 1.00 61.12 C ATOM 1077 O SER A 75 25.948 -10.060 9.020 1.00 53.42 O ATOM 1078 CB SER A 75 28.629 -9.141 8.440 1.00 63.33 C ATOM 1079 OG SER A 75 28.556 -10.040 9.533 1.00 64.01 O ATOM 0 H SER A 75 27.934 -7.676 10.319 1.00 43.24 H new ATOM 0 HA SER A 75 27.454 -7.609 7.496 1.00 35.52 H new ATOM 0 HB2 SER A 75 28.725 -9.701 7.510 1.00 63.33 H new ATOM 0 HB3 SER A 75 29.522 -8.523 8.533 1.00 63.33 H new ATOM 0 HG SER A 75 27.641 -10.382 9.615 1.00 64.01 H new ATOM 1085 N ALA A 76 25.277 -8.768 7.304 1.00 12.13 N ATOM 1086 CA ALA A 76 24.041 -9.509 7.086 1.00 20.40 C ATOM 1087 C ALA A 76 24.289 -10.751 6.236 1.00 14.10 C ATOM 1088 O ALA A 76 24.951 -10.684 5.201 1.00 73.11 O ATOM 1089 CB ALA A 76 22.999 -8.617 6.429 1.00 51.52 C ATOM 0 H ALA A 76 25.416 -7.983 6.667 1.00 12.13 H new ATOM 0 HA ALA A 76 23.665 -9.833 8.056 1.00 20.40 H new ATOM 0 HB1 ALA A 76 22.081 -9.184 6.272 1.00 51.52 H new ATOM 0 HB2 ALA A 76 22.792 -7.763 7.074 1.00 51.52 H new ATOM 0 HB3 ALA A 76 23.376 -8.264 5.469 1.00 51.52 H new ATOM 1095 N ALA A 77 23.753 -11.883 6.681 1.00 70.15 N ATOM 1096 CA ALA A 77 23.915 -13.140 5.960 1.00 40.55 C ATOM 1097 C ALA A 77 22.634 -13.520 5.224 1.00 2.25 C ATOM 1098 O ALA A 77 21.526 -13.367 5.739 1.00 40.13 O ATOM 1099 CB ALA A 77 24.325 -14.248 6.917 1.00 23.42 C ATOM 0 H ALA A 77 23.203 -11.955 7.537 1.00 70.15 H new ATOM 0 HA ALA A 77 24.703 -13.006 5.218 1.00 40.55 H new ATOM 0 HB1 ALA A 77 24.442 -15.181 6.365 1.00 23.42 H new ATOM 0 HB2 ALA A 77 25.270 -13.987 7.393 1.00 23.42 H new ATOM 0 HB3 ALA A 77 23.557 -14.372 7.680 1.00 23.42 H new ATOM 1105 N PRO A 78 22.787 -14.027 3.992 1.00 15.30 N ATOM 1106 CA PRO A 78 21.652 -14.439 3.160 1.00 63.01 C ATOM 1107 C PRO A 78 20.965 -15.690 3.696 1.00 72.22 C ATOM 1108 O PRO A 78 21.620 -16.606 4.192 1.00 14.21 O ATOM 1109 CB PRO A 78 22.295 -14.723 1.800 1.00 51.11 C ATOM 1110 CG PRO A 78 23.711 -15.062 2.113 1.00 3.35 C ATOM 1111 CD PRO A 78 24.078 -14.237 3.316 1.00 12.12 C ATOM 0 HA PRO A 78 20.872 -13.678 3.128 1.00 63.01 H new ATOM 0 HB2 PRO A 78 21.795 -15.546 1.290 1.00 51.11 H new ATOM 0 HB3 PRO A 78 22.232 -13.855 1.143 1.00 51.11 H new ATOM 0 HG2 PRO A 78 23.821 -16.126 2.321 1.00 3.35 H new ATOM 0 HG3 PRO A 78 24.363 -14.834 1.270 1.00 3.35 H new ATOM 0 HD2 PRO A 78 24.788 -14.757 3.959 1.00 12.12 H new ATOM 0 HD3 PRO A 78 24.540 -13.292 3.030 1.00 12.12 H new ATOM 1119 N GLY A 79 19.640 -15.723 3.592 1.00 54.54 N ATOM 1120 CA GLY A 79 18.886 -16.867 4.070 1.00 54.51 C ATOM 1121 C GLY A 79 17.841 -16.483 5.099 1.00 73.11 C ATOM 1122 O GLY A 79 16.965 -17.282 5.434 1.00 4.14 O ATOM 0 H GLY A 79 19.075 -14.978 3.185 1.00 54.54 H new ATOM 0 HA2 GLY A 79 18.398 -17.355 3.226 1.00 54.51 H new ATOM 0 HA3 GLY A 79 19.571 -17.594 4.506 1.00 54.51 H new ATOM 1126 N THR A 80 17.932 -15.257 5.604 1.00 54.41 N ATOM 1127 CA THR A 80 16.989 -14.770 6.603 1.00 51.40 C ATOM 1128 C THR A 80 16.358 -13.452 6.168 1.00 45.32 C ATOM 1129 O THR A 80 17.058 -12.510 5.792 1.00 21.33 O ATOM 1130 CB THR A 80 17.671 -14.573 7.970 1.00 11.40 C ATOM 1131 OG1 THR A 80 18.309 -15.788 8.379 1.00 41.42 O ATOM 1132 CG2 THR A 80 16.659 -14.146 9.023 1.00 23.10 C ATOM 0 H THR A 80 18.650 -14.583 5.337 1.00 54.41 H new ATOM 0 HA THR A 80 16.211 -15.528 6.699 1.00 51.40 H new ATOM 0 HB THR A 80 18.419 -13.787 7.868 1.00 11.40 H new ATOM 0 HG1 THR A 80 18.742 -15.654 9.248 1.00 41.42 H new ATOM 0 HG21 THR A 80 17.164 -14.013 9.980 1.00 23.10 H new ATOM 0 HG22 THR A 80 16.196 -13.206 8.723 1.00 23.10 H new ATOM 0 HG23 THR A 80 15.891 -14.913 9.122 1.00 23.10 H new ATOM 1140 N THR A 81 15.031 -13.390 6.221 1.00 45.42 N ATOM 1141 CA THR A 81 14.306 -12.187 5.832 1.00 45.24 C ATOM 1142 C THR A 81 14.505 -11.071 6.851 1.00 21.00 C ATOM 1143 O THR A 81 14.479 -11.309 8.059 1.00 45.32 O ATOM 1144 CB THR A 81 12.799 -12.464 5.678 1.00 21.33 C ATOM 1145 OG1 THR A 81 12.597 -13.698 4.981 1.00 74.35 O ATOM 1146 CG2 THR A 81 12.114 -11.333 4.927 1.00 42.31 C ATOM 0 H THR A 81 14.437 -14.159 6.530 1.00 45.42 H new ATOM 0 HA THR A 81 14.710 -11.872 4.870 1.00 45.24 H new ATOM 0 HB THR A 81 12.361 -12.534 6.674 1.00 21.33 H new ATOM 0 HG1 THR A 81 11.636 -13.868 4.889 1.00 74.35 H new ATOM 0 HG21 THR A 81 11.051 -11.552 4.831 1.00 42.31 H new ATOM 0 HG22 THR A 81 12.245 -10.400 5.476 1.00 42.31 H new ATOM 0 HG23 THR A 81 12.555 -11.235 3.935 1.00 42.31 H new ATOM 1154 N TYR A 82 14.702 -9.854 6.358 1.00 43.44 N ATOM 1155 CA TYR A 82 14.907 -8.701 7.226 1.00 10.34 C ATOM 1156 C TYR A 82 13.692 -7.779 7.204 1.00 54.22 C ATOM 1157 O TYR A 82 13.135 -7.491 6.143 1.00 24.24 O ATOM 1158 CB TYR A 82 16.155 -7.928 6.798 1.00 43.24 C ATOM 1159 CG TYR A 82 17.448 -8.661 7.077 1.00 34.34 C ATOM 1160 CD1 TYR A 82 17.784 -9.049 8.368 1.00 0.15 C ATOM 1161 CD2 TYR A 82 18.332 -8.968 6.050 1.00 13.41 C ATOM 1162 CE1 TYR A 82 18.964 -9.718 8.629 1.00 70.54 C ATOM 1163 CE2 TYR A 82 19.513 -9.638 6.301 1.00 62.32 C ATOM 1164 CZ TYR A 82 19.825 -10.011 7.592 1.00 61.14 C ATOM 1165 OH TYR A 82 21.001 -10.679 7.846 1.00 33.24 O ATOM 0 H TYR A 82 14.724 -9.640 5.361 1.00 43.44 H new ATOM 0 HA TYR A 82 15.045 -9.066 8.244 1.00 10.34 H new ATOM 0 HB2 TYR A 82 16.091 -7.714 5.731 1.00 43.24 H new ATOM 0 HB3 TYR A 82 16.173 -6.968 7.315 1.00 43.24 H new ATOM 0 HD1 TYR A 82 17.111 -8.824 9.182 1.00 0.15 H new ATOM 0 HD2 TYR A 82 18.091 -8.678 5.038 1.00 13.41 H new ATOM 0 HE1 TYR A 82 19.211 -10.010 9.639 1.00 70.54 H new ATOM 0 HE2 TYR A 82 20.189 -9.869 5.491 1.00 62.32 H new ATOM 0 HH TYR A 82 21.248 -11.215 7.064 1.00 33.24 H new ATOM 1175 N HIS A 83 13.285 -7.318 8.382 1.00 13.23 N ATOM 1176 CA HIS A 83 12.136 -6.427 8.499 1.00 12.24 C ATOM 1177 C HIS A 83 12.582 -5.004 8.824 1.00 61.41 C ATOM 1178 O HIS A 83 13.686 -4.788 9.324 1.00 61.02 O ATOM 1179 CB HIS A 83 11.179 -6.933 9.580 1.00 45.32 C ATOM 1180 CG HIS A 83 10.199 -7.950 9.083 1.00 23.53 C ATOM 1181 ND1 HIS A 83 9.028 -7.615 8.437 1.00 21.04 N ATOM 1182 CD2 HIS A 83 10.222 -9.303 9.140 1.00 41.34 C ATOM 1183 CE1 HIS A 83 8.372 -8.717 8.119 1.00 1.34 C ATOM 1184 NE2 HIS A 83 9.076 -9.755 8.534 1.00 14.10 N ATOM 0 H HIS A 83 13.734 -7.546 9.269 1.00 13.23 H new ATOM 0 HA HIS A 83 11.617 -6.416 7.540 1.00 12.24 H new ATOM 0 HB2 HIS A 83 11.760 -7.367 10.394 1.00 45.32 H new ATOM 0 HB3 HIS A 83 10.632 -6.086 9.995 1.00 45.32 H new ATOM 0 HD2 HIS A 83 10.997 -9.913 9.580 1.00 41.34 H new ATOM 0 HE1 HIS A 83 7.422 -8.762 7.607 1.00 1.34 H new ATOM 0 HE2 HIS A 83 8.811 -10.734 8.422 1.00 14.10 H new ATOM 1192 N VAL A 84 11.717 -4.037 8.535 1.00 31.43 N ATOM 1193 CA VAL A 84 12.022 -2.636 8.797 1.00 53.24 C ATOM 1194 C VAL A 84 10.812 -1.908 9.371 1.00 33.15 C ATOM 1195 O VAL A 84 9.683 -2.111 8.925 1.00 30.11 O ATOM 1196 CB VAL A 84 12.481 -1.913 7.516 1.00 21.23 C ATOM 1197 CG1 VAL A 84 13.147 -0.589 7.860 1.00 71.42 C ATOM 1198 CG2 VAL A 84 13.421 -2.799 6.713 1.00 72.41 C ATOM 0 H VAL A 84 10.800 -4.198 8.119 1.00 31.43 H new ATOM 0 HA VAL A 84 12.832 -2.619 9.526 1.00 53.24 H new ATOM 0 HB VAL A 84 11.604 -1.703 6.903 1.00 21.23 H new ATOM 0 HG11 VAL A 84 13.465 -0.092 6.943 1.00 71.42 H new ATOM 0 HG12 VAL A 84 12.439 0.047 8.391 1.00 71.42 H new ATOM 0 HG13 VAL A 84 14.015 -0.772 8.493 1.00 71.42 H new ATOM 0 HG21 VAL A 84 13.736 -2.273 5.812 1.00 72.41 H new ATOM 0 HG22 VAL A 84 14.296 -3.041 7.316 1.00 72.41 H new ATOM 0 HG23 VAL A 84 12.906 -3.719 6.435 1.00 72.41 H new ATOM 1208 N MET A 85 11.055 -1.059 10.364 1.00 24.15 N ATOM 1209 CA MET A 85 9.985 -0.299 11.000 1.00 70.13 C ATOM 1210 C MET A 85 10.425 1.136 11.272 1.00 73.11 C ATOM 1211 O MET A 85 11.424 1.370 11.952 1.00 64.04 O ATOM 1212 CB MET A 85 9.560 -0.971 12.307 1.00 74.24 C ATOM 1213 CG MET A 85 8.124 -0.670 12.705 1.00 30.34 C ATOM 1214 SD MET A 85 7.924 -0.477 14.487 1.00 70.11 S ATOM 1215 CE MET A 85 7.142 1.132 14.567 1.00 2.43 C ATOM 0 H MET A 85 11.984 -0.880 10.746 1.00 24.15 H new ATOM 0 HA MET A 85 9.135 -0.277 10.318 1.00 70.13 H new ATOM 0 HB2 MET A 85 9.683 -2.050 12.208 1.00 74.24 H new ATOM 0 HB3 MET A 85 10.226 -0.646 13.106 1.00 74.24 H new ATOM 0 HG2 MET A 85 7.796 0.242 12.205 1.00 30.34 H new ATOM 0 HG3 MET A 85 7.478 -1.475 12.356 1.00 30.34 H new ATOM 0 HE1 MET A 85 6.857 1.347 15.597 1.00 2.43 H new ATOM 0 HE2 MET A 85 7.839 1.893 14.217 1.00 2.43 H new ATOM 0 HE3 MET A 85 6.253 1.136 13.936 1.00 2.43 H new ATOM 1225 N ILE A 86 9.673 2.092 10.737 1.00 35.14 N ATOM 1226 CA ILE A 86 9.985 3.503 10.924 1.00 2.30 C ATOM 1227 C ILE A 86 8.914 4.198 11.758 1.00 23.14 C ATOM 1228 O ILE A 86 7.772 4.348 11.323 1.00 24.02 O ATOM 1229 CB ILE A 86 10.122 4.233 9.575 1.00 60.24 C ATOM 1230 CG1 ILE A 86 11.083 3.475 8.656 1.00 54.34 C ATOM 1231 CG2 ILE A 86 10.602 5.660 9.791 1.00 40.35 C ATOM 1232 CD1 ILE A 86 12.505 3.435 9.169 1.00 12.12 C ATOM 0 H ILE A 86 8.843 1.915 10.171 1.00 35.14 H new ATOM 0 HA ILE A 86 10.938 3.547 11.451 1.00 2.30 H new ATOM 0 HB ILE A 86 9.143 4.269 9.097 1.00 60.24 H new ATOM 0 HG12 ILE A 86 10.722 2.454 8.529 1.00 54.34 H new ATOM 0 HG13 ILE A 86 11.074 3.941 7.671 1.00 54.34 H new ATOM 0 HG21 ILE A 86 10.694 6.163 8.828 1.00 40.35 H new ATOM 0 HG22 ILE A 86 9.884 6.195 10.413 1.00 40.35 H new ATOM 0 HG23 ILE A 86 11.572 5.646 10.287 1.00 40.35 H new ATOM 0 HD11 ILE A 86 13.130 2.882 8.467 1.00 12.12 H new ATOM 0 HD12 ILE A 86 12.884 4.452 9.269 1.00 12.12 H new ATOM 0 HD13 ILE A 86 12.527 2.942 10.141 1.00 12.12 H new ATOM 1244 N LYS A 87 9.291 4.622 12.960 1.00 40.11 N ATOM 1245 CA LYS A 87 8.365 5.304 13.856 1.00 40.41 C ATOM 1246 C LYS A 87 8.736 6.777 14.003 1.00 31.44 C ATOM 1247 O LYS A 87 9.902 7.117 14.196 1.00 64.33 O ATOM 1248 CB LYS A 87 8.360 4.629 15.229 1.00 25.30 C ATOM 1249 CG LYS A 87 6.977 4.215 15.699 1.00 74.45 C ATOM 1250 CD LYS A 87 6.102 5.422 15.991 1.00 42.43 C ATOM 1251 CE LYS A 87 4.640 5.030 16.137 1.00 60.22 C ATOM 1252 NZ LYS A 87 4.406 4.208 17.356 1.00 14.14 N ATOM 0 H LYS A 87 10.232 4.505 13.336 1.00 40.11 H new ATOM 0 HA LYS A 87 7.367 5.240 13.423 1.00 40.41 H new ATOM 0 HB2 LYS A 87 9.001 3.748 15.194 1.00 25.30 H new ATOM 0 HB3 LYS A 87 8.794 5.310 15.961 1.00 25.30 H new ATOM 0 HG2 LYS A 87 6.503 3.597 14.937 1.00 74.45 H new ATOM 0 HG3 LYS A 87 7.065 3.603 16.597 1.00 74.45 H new ATOM 0 HD2 LYS A 87 6.443 5.907 16.906 1.00 42.43 H new ATOM 0 HD3 LYS A 87 6.206 6.151 15.187 1.00 42.43 H new ATOM 0 HE2 LYS A 87 4.026 5.929 16.182 1.00 60.22 H new ATOM 0 HE3 LYS A 87 4.324 4.471 15.256 1.00 60.22 H new ATOM 0 HZ1 LYS A 87 3.398 3.961 17.420 1.00 14.14 H new ATOM 0 HZ2 LYS A 87 4.973 3.338 17.302 1.00 14.14 H new ATOM 0 HZ3 LYS A 87 4.684 4.750 18.199 1.00 14.14 H new ATOM 1266 N GLY A 88 7.734 7.647 13.913 1.00 24.32 N ATOM 1267 CA GLY A 88 7.976 9.072 14.040 1.00 22.14 C ATOM 1268 C GLY A 88 7.379 9.650 15.308 1.00 5.40 C ATOM 1269 O GLY A 88 6.314 9.222 15.752 1.00 0.35 O ATOM 0 H GLY A 88 6.760 7.390 13.754 1.00 24.32 H new ATOM 0 HA2 GLY A 88 9.050 9.257 14.030 1.00 22.14 H new ATOM 0 HA3 GLY A 88 7.556 9.587 13.176 1.00 22.14 H new ATOM 1273 N TYR A 89 8.068 10.625 15.893 1.00 74.43 N ATOM 1274 CA TYR A 89 7.601 11.260 17.119 1.00 23.14 C ATOM 1275 C TYR A 89 6.751 12.488 16.808 1.00 71.30 C ATOM 1276 O TYR A 89 5.943 12.922 17.629 1.00 72.41 O ATOM 1277 CB TYR A 89 8.790 11.658 17.996 1.00 31.01 C ATOM 1278 CG TYR A 89 8.517 11.536 19.478 1.00 30.42 C ATOM 1279 CD1 TYR A 89 7.869 12.550 20.172 1.00 43.43 C ATOM 1280 CD2 TYR A 89 8.906 10.404 20.185 1.00 41.21 C ATOM 1281 CE1 TYR A 89 7.619 12.443 21.526 1.00 72.11 C ATOM 1282 CE2 TYR A 89 8.658 10.287 21.539 1.00 43.40 C ATOM 1283 CZ TYR A 89 8.015 11.310 22.205 1.00 31.40 C ATOM 1284 OH TYR A 89 7.766 11.198 23.554 1.00 51.12 O ATOM 0 H TYR A 89 8.951 10.992 15.538 1.00 74.43 H new ATOM 0 HA TYR A 89 6.984 10.541 17.658 1.00 23.14 H new ATOM 0 HB2 TYR A 89 9.645 11.032 17.740 1.00 31.01 H new ATOM 0 HB3 TYR A 89 9.069 12.687 17.770 1.00 31.01 H new ATOM 0 HD1 TYR A 89 7.555 13.438 19.643 1.00 43.43 H new ATOM 0 HD2 TYR A 89 9.411 9.602 19.667 1.00 41.21 H new ATOM 0 HE1 TYR A 89 7.116 13.242 22.050 1.00 72.11 H new ATOM 0 HE2 TYR A 89 8.966 9.400 22.073 1.00 43.40 H new ATOM 0 HH TYR A 89 8.107 10.339 23.879 1.00 51.12 H new ATOM 1294 N SER A 90 6.939 13.043 15.615 1.00 63.30 N ATOM 1295 CA SER A 90 6.193 14.222 15.194 1.00 13.53 C ATOM 1296 C SER A 90 6.292 14.418 13.684 1.00 12.24 C ATOM 1297 O SER A 90 7.352 14.224 13.091 1.00 54.22 O ATOM 1298 CB SER A 90 6.714 15.466 15.916 1.00 1.35 C ATOM 1299 OG SER A 90 8.124 15.423 16.055 1.00 72.54 O ATOM 0 H SER A 90 7.602 12.694 14.923 1.00 63.30 H new ATOM 0 HA SER A 90 5.146 14.071 15.455 1.00 13.53 H new ATOM 0 HB2 SER A 90 6.427 16.359 15.361 1.00 1.35 H new ATOM 0 HB3 SER A 90 6.251 15.540 16.900 1.00 1.35 H new ATOM 0 HG SER A 90 8.504 14.852 15.355 1.00 72.54 H new ATOM 1305 N ASN A 91 5.178 14.804 13.070 1.00 43.12 N ATOM 1306 CA ASN A 91 5.138 15.026 11.629 1.00 62.01 C ATOM 1307 C ASN A 91 6.459 15.604 11.131 1.00 64.35 C ATOM 1308 O ASN A 91 6.761 16.776 11.356 1.00 54.23 O ATOM 1309 CB ASN A 91 3.988 15.969 11.269 1.00 63.11 C ATOM 1310 CG ASN A 91 3.904 16.235 9.778 1.00 0.13 C ATOM 1311 OD1 ASN A 91 3.918 17.386 9.340 1.00 24.52 O ATOM 1312 ND2 ASN A 91 3.815 15.169 8.991 1.00 2.32 N ATOM 0 H ASN A 91 4.292 14.969 13.547 1.00 43.12 H new ATOM 0 HA ASN A 91 4.976 14.064 11.143 1.00 62.01 H new ATOM 0 HB2 ASN A 91 3.047 15.538 11.612 1.00 63.11 H new ATOM 0 HB3 ASN A 91 4.117 16.914 11.797 1.00 63.11 H new ATOM 0 HD21 ASN A 91 3.755 15.285 7.979 1.00 2.32 H new ATOM 0 HD22 ASN A 91 3.807 14.234 9.398 1.00 2.32 H new ATOM 1319 N TYR A 92 7.243 14.773 10.452 1.00 3.22 N ATOM 1320 CA TYR A 92 8.533 15.200 9.923 1.00 1.42 C ATOM 1321 C TYR A 92 8.946 14.340 8.733 1.00 55.24 C ATOM 1322 O TYR A 92 9.173 13.138 8.870 1.00 42.31 O ATOM 1323 CB TYR A 92 9.604 15.129 11.013 1.00 11.32 C ATOM 1324 CG TYR A 92 10.795 16.023 10.751 1.00 63.52 C ATOM 1325 CD1 TYR A 92 11.705 15.723 9.744 1.00 54.42 C ATOM 1326 CD2 TYR A 92 11.011 17.166 11.510 1.00 50.55 C ATOM 1327 CE1 TYR A 92 12.795 16.536 9.501 1.00 12.33 C ATOM 1328 CE2 TYR A 92 12.098 17.986 11.273 1.00 13.10 C ATOM 1329 CZ TYR A 92 12.987 17.667 10.268 1.00 31.53 C ATOM 1330 OH TYR A 92 14.071 18.480 10.029 1.00 71.31 O ATOM 0 H TYR A 92 7.008 13.800 10.255 1.00 3.22 H new ATOM 0 HA TYR A 92 8.434 16.232 9.586 1.00 1.42 H new ATOM 0 HB2 TYR A 92 9.157 15.404 11.968 1.00 11.32 H new ATOM 0 HB3 TYR A 92 9.947 14.099 11.107 1.00 11.32 H new ATOM 0 HD1 TYR A 92 11.557 14.839 9.141 1.00 54.42 H new ATOM 0 HD2 TYR A 92 10.318 17.418 12.299 1.00 50.55 H new ATOM 0 HE1 TYR A 92 13.493 16.288 8.715 1.00 12.33 H new ATOM 0 HE2 TYR A 92 12.250 18.872 11.872 1.00 13.10 H new ATOM 0 HH TYR A 92 14.059 19.234 10.655 1.00 71.31 H new ATOM 1340 N SER A 93 9.040 14.966 7.564 1.00 61.35 N ATOM 1341 CA SER A 93 9.422 14.258 6.347 1.00 51.41 C ATOM 1342 C SER A 93 10.666 14.883 5.723 1.00 24.02 C ATOM 1343 O SER A 93 10.919 16.077 5.878 1.00 63.03 O ATOM 1344 CB SER A 93 8.270 14.274 5.340 1.00 43.02 C ATOM 1345 OG SER A 93 7.745 15.581 5.186 1.00 42.21 O ATOM 0 H SER A 93 8.857 15.961 7.434 1.00 61.35 H new ATOM 0 HA SER A 93 9.649 13.226 6.613 1.00 51.41 H new ATOM 0 HB2 SER A 93 8.620 13.904 4.376 1.00 43.02 H new ATOM 0 HB3 SER A 93 7.482 13.599 5.674 1.00 43.02 H new ATOM 0 HG SER A 93 7.012 15.564 4.536 1.00 42.21 H new ATOM 1351 N GLY A 94 11.441 14.065 5.017 1.00 21.00 N ATOM 1352 CA GLY A 94 12.650 14.554 4.380 1.00 21.24 C ATOM 1353 C GLY A 94 13.884 13.788 4.814 1.00 22.20 C ATOM 1354 O GLY A 94 15.001 14.301 4.739 1.00 73.14 O ATOM 0 H GLY A 94 11.253 13.073 4.875 1.00 21.00 H new ATOM 0 HA2 GLY A 94 12.542 14.480 3.298 1.00 21.24 H new ATOM 0 HA3 GLY A 94 12.780 15.610 4.616 1.00 21.24 H new ATOM 1358 N VAL A 95 13.684 12.556 5.271 1.00 32.14 N ATOM 1359 CA VAL A 95 14.789 11.718 5.720 1.00 63.43 C ATOM 1360 C VAL A 95 15.002 10.539 4.777 1.00 64.40 C ATOM 1361 O VAL A 95 14.047 9.980 4.237 1.00 20.42 O ATOM 1362 CB VAL A 95 14.547 11.184 7.144 1.00 5.44 C ATOM 1363 CG1 VAL A 95 15.870 10.951 7.859 1.00 72.01 C ATOM 1364 CG2 VAL A 95 13.670 12.146 7.931 1.00 54.12 C ATOM 0 H VAL A 95 12.766 12.116 5.340 1.00 32.14 H new ATOM 0 HA VAL A 95 15.681 12.345 5.722 1.00 63.43 H new ATOM 0 HB VAL A 95 14.027 10.229 7.072 1.00 5.44 H new ATOM 0 HG11 VAL A 95 15.679 10.574 8.864 1.00 72.01 H new ATOM 0 HG12 VAL A 95 16.460 10.222 7.304 1.00 72.01 H new ATOM 0 HG13 VAL A 95 16.420 11.890 7.922 1.00 72.01 H new ATOM 0 HG21 VAL A 95 13.509 11.753 8.935 1.00 54.12 H new ATOM 0 HG22 VAL A 95 14.162 13.117 7.996 1.00 54.12 H new ATOM 0 HG23 VAL A 95 12.710 12.258 7.427 1.00 54.12 H new ATOM 1374 N THR A 96 16.263 10.164 4.582 1.00 21.34 N ATOM 1375 CA THR A 96 16.603 9.051 3.704 1.00 12.33 C ATOM 1376 C THR A 96 16.898 7.789 4.506 1.00 62.34 C ATOM 1377 O THR A 96 17.762 7.786 5.384 1.00 13.20 O ATOM 1378 CB THR A 96 17.822 9.383 2.823 1.00 53.30 C ATOM 1379 OG1 THR A 96 17.897 10.796 2.604 1.00 43.34 O ATOM 1380 CG2 THR A 96 17.736 8.661 1.487 1.00 50.33 C ATOM 0 H THR A 96 17.066 10.615 5.021 1.00 21.34 H new ATOM 0 HA THR A 96 15.738 8.877 3.064 1.00 12.33 H new ATOM 0 HB THR A 96 18.720 9.048 3.342 1.00 53.30 H new ATOM 0 HG1 THR A 96 18.675 10.999 2.045 1.00 43.34 H new ATOM 0 HG21 THR A 96 18.607 8.911 0.882 1.00 50.33 H new ATOM 0 HG22 THR A 96 17.708 7.585 1.656 1.00 50.33 H new ATOM 0 HG23 THR A 96 16.831 8.970 0.964 1.00 50.33 H new ATOM 1388 N LEU A 97 16.177 6.716 4.198 1.00 43.22 N ATOM 1389 CA LEU A 97 16.363 5.445 4.889 1.00 10.25 C ATOM 1390 C LEU A 97 16.950 4.395 3.951 1.00 1.54 C ATOM 1391 O LEU A 97 16.690 4.407 2.748 1.00 44.40 O ATOM 1392 CB LEU A 97 15.031 4.951 5.456 1.00 12.23 C ATOM 1393 CG LEU A 97 14.988 3.486 5.890 1.00 23.34 C ATOM 1394 CD1 LEU A 97 15.748 3.293 7.194 1.00 62.35 C ATOM 1395 CD2 LEU A 97 13.549 3.014 6.035 1.00 32.14 C ATOM 0 H LEU A 97 15.458 6.701 3.474 1.00 43.22 H new ATOM 0 HA LEU A 97 17.063 5.605 5.709 1.00 10.25 H new ATOM 0 HB2 LEU A 97 14.772 5.571 6.314 1.00 12.23 H new ATOM 0 HB3 LEU A 97 14.258 5.109 4.704 1.00 12.23 H new ATOM 0 HG LEU A 97 15.470 2.885 5.119 1.00 23.34 H new ATOM 0 HD11 LEU A 97 15.707 2.244 7.487 1.00 62.35 H new ATOM 0 HD12 LEU A 97 16.788 3.591 7.057 1.00 62.35 H new ATOM 0 HD13 LEU A 97 15.295 3.906 7.973 1.00 62.35 H new ATOM 0 HD21 LEU A 97 13.538 1.969 6.345 1.00 32.14 H new ATOM 0 HD22 LEU A 97 13.041 3.620 6.785 1.00 32.14 H new ATOM 0 HD23 LEU A 97 13.035 3.115 5.079 1.00 32.14 H new ATOM 1407 N LYS A 98 17.742 3.486 4.511 1.00 53.55 N ATOM 1408 CA LYS A 98 18.364 2.426 3.726 1.00 14.40 C ATOM 1409 C LYS A 98 18.656 1.207 4.594 1.00 31.13 C ATOM 1410 O LYS A 98 18.639 1.289 5.823 1.00 21.43 O ATOM 1411 CB LYS A 98 19.658 2.931 3.085 1.00 41.05 C ATOM 1412 CG LYS A 98 20.207 2.006 2.012 1.00 35.42 C ATOM 1413 CD LYS A 98 20.800 2.787 0.852 1.00 61.32 C ATOM 1414 CE LYS A 98 21.764 3.858 1.337 1.00 44.44 C ATOM 1415 NZ LYS A 98 22.993 3.919 0.498 1.00 43.31 N ATOM 0 H LYS A 98 17.968 3.462 5.505 1.00 53.55 H new ATOM 0 HA LYS A 98 17.667 2.132 2.941 1.00 14.40 H new ATOM 0 HB2 LYS A 98 19.478 3.913 2.649 1.00 41.05 H new ATOM 0 HB3 LYS A 98 20.412 3.061 3.862 1.00 41.05 H new ATOM 0 HG2 LYS A 98 20.970 1.359 2.444 1.00 35.42 H new ATOM 0 HG3 LYS A 98 19.410 1.358 1.646 1.00 35.42 H new ATOM 0 HD2 LYS A 98 21.321 2.104 0.181 1.00 61.32 H new ATOM 0 HD3 LYS A 98 19.999 3.251 0.277 1.00 61.32 H new ATOM 0 HE2 LYS A 98 21.266 4.828 1.323 1.00 44.44 H new ATOM 0 HE3 LYS A 98 22.040 3.656 2.372 1.00 44.44 H new ATOM 0 HZ1 LYS A 98 23.625 4.661 0.861 1.00 43.31 H new ATOM 0 HZ2 LYS A 98 23.482 3.002 0.531 1.00 43.31 H new ATOM 0 HZ3 LYS A 98 22.732 4.137 -0.485 1.00 43.31 H new ATOM 1429 N LEU A 99 18.925 0.078 3.949 1.00 72.53 N ATOM 1430 CA LEU A 99 19.223 -1.159 4.662 1.00 32.44 C ATOM 1431 C LEU A 99 20.723 -1.306 4.894 1.00 22.44 C ATOM 1432 O LEU A 99 21.527 -1.044 4.000 1.00 1.13 O ATOM 1433 CB LEU A 99 18.696 -2.363 3.879 1.00 50.01 C ATOM 1434 CG LEU A 99 19.587 -3.606 3.879 1.00 54.11 C ATOM 1435 CD1 LEU A 99 18.748 -4.864 3.713 1.00 51.41 C ATOM 1436 CD2 LEU A 99 20.634 -3.512 2.779 1.00 53.23 C ATOM 0 H LEU A 99 18.943 -0.007 2.933 1.00 72.53 H new ATOM 0 HA LEU A 99 18.726 -1.119 5.631 1.00 32.44 H new ATOM 0 HB2 LEU A 99 17.723 -2.638 4.286 1.00 50.01 H new ATOM 0 HB3 LEU A 99 18.534 -2.056 2.846 1.00 50.01 H new ATOM 0 HG LEU A 99 20.101 -3.661 4.838 1.00 54.11 H new ATOM 0 HD11 LEU A 99 19.399 -5.738 3.715 1.00 51.41 H new ATOM 0 HD12 LEU A 99 18.037 -4.939 4.536 1.00 51.41 H new ATOM 0 HD13 LEU A 99 18.206 -4.818 2.769 1.00 51.41 H new ATOM 0 HD21 LEU A 99 21.259 -4.405 2.794 1.00 53.23 H new ATOM 0 HD22 LEU A 99 20.139 -3.432 1.811 1.00 53.23 H new ATOM 0 HD23 LEU A 99 21.255 -2.632 2.942 1.00 53.23 H new ATOM 1448 N GLN A 100 21.092 -1.729 6.099 1.00 32.32 N ATOM 1449 CA GLN A 100 22.496 -1.913 6.447 1.00 12.44 C ATOM 1450 C GLN A 100 22.908 -3.373 6.295 1.00 44.13 C ATOM 1451 O GLN A 100 22.456 -4.238 7.045 1.00 3.14 O ATOM 1452 CB GLN A 100 22.753 -1.445 7.881 1.00 51.10 C ATOM 1453 CG GLN A 100 21.740 -1.974 8.884 1.00 5.42 C ATOM 1454 CD GLN A 100 20.561 -1.039 9.071 1.00 24.30 C ATOM 1455 OE1 GLN A 100 19.413 -1.416 8.837 1.00 33.22 O ATOM 1456 NE2 GLN A 100 20.840 0.188 9.495 1.00 73.01 N ATOM 0 H GLN A 100 20.439 -1.951 6.850 1.00 32.32 H new ATOM 0 HA GLN A 100 23.095 -1.312 5.763 1.00 12.44 H new ATOM 0 HB2 GLN A 100 23.751 -1.761 8.184 1.00 51.10 H new ATOM 0 HB3 GLN A 100 22.742 -0.355 7.906 1.00 51.10 H new ATOM 0 HG2 GLN A 100 21.378 -2.947 8.551 1.00 5.42 H new ATOM 0 HG3 GLN A 100 22.232 -2.129 9.844 1.00 5.42 H new ATOM 0 HE21 GLN A 100 21.807 0.457 9.677 1.00 73.01 H new ATOM 0 HE22 GLN A 100 20.087 0.861 9.639 1.00 73.01 H new ATOM 1465 N TYR A 101 23.769 -3.640 5.319 1.00 75.45 N ATOM 1466 CA TYR A 101 24.240 -4.997 5.065 1.00 11.25 C ATOM 1467 C TYR A 101 25.731 -5.120 5.365 1.00 72.04 C ATOM 1468 O TYR A 101 26.151 -5.991 6.124 1.00 65.54 O ATOM 1469 CB TYR A 101 23.965 -5.392 3.614 1.00 62.14 C ATOM 1470 CG TYR A 101 24.733 -4.567 2.606 1.00 52.33 C ATOM 1471 CD1 TYR A 101 24.321 -3.283 2.271 1.00 14.24 C ATOM 1472 CD2 TYR A 101 25.871 -5.071 1.988 1.00 0.14 C ATOM 1473 CE1 TYR A 101 25.018 -2.526 1.351 1.00 45.44 C ATOM 1474 CE2 TYR A 101 26.576 -4.320 1.067 1.00 20.35 C ATOM 1475 CZ TYR A 101 26.145 -3.049 0.752 1.00 45.55 C ATOM 1476 OH TYR A 101 26.844 -2.297 -0.165 1.00 42.12 O ATOM 0 H TYR A 101 24.155 -2.935 4.691 1.00 75.45 H new ATOM 0 HA TYR A 101 23.698 -5.673 5.726 1.00 11.25 H new ATOM 0 HB2 TYR A 101 24.218 -6.444 3.478 1.00 62.14 H new ATOM 0 HB3 TYR A 101 22.898 -5.292 3.415 1.00 62.14 H new ATOM 0 HD1 TYR A 101 23.440 -2.870 2.739 1.00 14.24 H new ATOM 0 HD2 TYR A 101 26.210 -6.067 2.232 1.00 0.14 H new ATOM 0 HE1 TYR A 101 24.683 -1.530 1.102 1.00 45.44 H new ATOM 0 HE2 TYR A 101 27.459 -4.726 0.597 1.00 20.35 H new ATOM 0 HH TYR A 101 27.612 -2.811 -0.492 1.00 42.12 H new TER 1486 TYR A 101