USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0795 (180deg=-0.509) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0368 (180deg=-0.171) USER MOD Single : A 4 ASN : amide:sc= -0.0192 K(o=-0.019,f=-0.73) USER MOD Single : A 6 MET CE :methyl 161:sc= -0.119 (180deg=-0.645) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.15) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.616 K(o=0.62,f=-2.8) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0.982) USER MOD Single : A 23 HIS : no HE2:sc= -1.56! C(o=-1.6!,f=-2.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -1.12! (180deg=-2.8!) USER MOD Single : A 28 ASN : amide:sc= -0.0256 K(o=-0.026,f=-0.74) USER MOD Single : A 30 GLN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.357 USER MOD Single : A 38 LYS NZ :NH3+ 128:sc= 2.29 (180deg=0.888) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 2.41 (180deg=2.28) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 1.04 (180deg=0.453) USER MOD Single : A 54 THR OG1 : rot 37:sc= 0.531 USER MOD Single : A 56 GLN : amide:sc= -0.311! C(o=-0.31!,f=-10!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0.306 K(o=0.31,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.07 USER MOD Single : A 69 HIS : no HE2:sc= 0.348 K(o=0.35,f=-2.4!) USER MOD Single : A 70 SER OG : rot 76:sc= 0.221 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= 1.01 (180deg=-0.39) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0507) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= -0.0227 (180deg=-0.141) USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= 0.422 (180deg=-0.0395) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 101 HIS : no HE2:sc= 0.173 K(o=0.17,f=-2.3) USER MOD Single : A 102 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.00094) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 104 HIS : no HD1:sc=-0.00883 X(o=-0.0088,f=-0.0039) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.618 -11.551 -10.508 1.00 0.00 N ATOM 2 CA MET A 1 18.206 -10.356 -11.299 1.00 52.33 C ATOM 3 C MET A 1 17.137 -10.702 -12.354 1.00 52.40 C ATOM 4 O MET A 1 16.958 -9.971 -13.330 1.00 0.53 O ATOM 5 CB MET A 1 19.435 -9.733 -11.978 1.00 63.34 C ATOM 6 CG MET A 1 20.123 -10.646 -12.987 1.00 25.23 C ATOM 7 SD MET A 1 21.547 -9.861 -13.771 1.00 74.24 S ATOM 8 CE MET A 1 22.643 -9.639 -12.366 1.00 32.14 C ATOM 0 H1 MET A 1 19.430 -11.306 -9.906 1.00 0.00 H new ATOM 0 H2 MET A 1 17.826 -11.862 -9.910 1.00 0.00 H new ATOM 0 H3 MET A 1 18.886 -12.320 -11.155 1.00 0.00 H new ATOM 0 HA MET A 1 17.763 -9.638 -10.609 1.00 52.33 H new ATOM 0 HB2 MET A 1 19.131 -8.816 -12.483 1.00 63.34 H new ATOM 0 HB3 MET A 1 20.156 -9.450 -11.211 1.00 63.34 H new ATOM 0 HG2 MET A 1 20.446 -11.558 -12.486 1.00 25.23 H new ATOM 0 HG3 MET A 1 19.406 -10.940 -13.754 1.00 25.23 H new ATOM 0 HE1 MET A 1 23.663 -9.488 -12.720 1.00 32.14 H new ATOM 0 HE2 MET A 1 22.326 -8.769 -11.791 1.00 32.14 H new ATOM 0 HE3 MET A 1 22.606 -10.525 -11.732 1.00 32.14 H new ATOM 20 N ASP A 2 16.412 -11.804 -12.147 1.00 4.02 N ATOM 21 CA ASP A 2 15.383 -12.249 -13.095 1.00 75.20 C ATOM 22 C ASP A 2 14.116 -11.382 -12.999 1.00 4.12 C ATOM 23 O ASP A 2 13.098 -11.794 -12.442 1.00 20.13 O ATOM 24 CB ASP A 2 15.037 -13.719 -12.841 1.00 10.43 C ATOM 25 CG ASP A 2 16.270 -14.596 -12.813 1.00 70.12 C ATOM 26 OD1 ASP A 2 16.886 -14.724 -11.735 1.00 1.00 O ATOM 27 OD2 ASP A 2 16.640 -15.151 -13.866 1.00 12.11 O ATOM 0 H ASP A 2 16.517 -12.406 -11.331 1.00 4.02 H new ATOM 0 HA ASP A 2 15.785 -12.142 -14.102 1.00 75.20 H new ATOM 0 HB2 ASP A 2 14.507 -13.808 -11.892 1.00 10.43 H new ATOM 0 HB3 ASP A 2 14.359 -14.071 -13.619 1.00 10.43 H new ATOM 32 N LEU A 3 14.186 -10.172 -13.549 1.00 2.11 N ATOM 33 CA LEU A 3 13.067 -9.224 -13.488 1.00 2.14 C ATOM 34 C LEU A 3 11.872 -9.660 -14.362 1.00 32.02 C ATOM 35 O LEU A 3 10.815 -9.026 -14.334 1.00 21.13 O ATOM 36 CB LEU A 3 13.549 -7.805 -13.868 1.00 3.54 C ATOM 37 CG LEU A 3 14.428 -7.688 -15.134 1.00 75.42 C ATOM 38 CD1 LEU A 3 13.629 -7.958 -16.406 1.00 64.14 C ATOM 39 CD2 LEU A 3 15.085 -6.310 -15.202 1.00 3.51 C ATOM 0 H LEU A 3 15.006 -9.821 -14.044 1.00 2.11 H new ATOM 0 HA LEU A 3 12.706 -9.211 -12.460 1.00 2.14 H new ATOM 0 HB2 LEU A 3 12.672 -7.172 -14.003 1.00 3.54 H new ATOM 0 HB3 LEU A 3 14.109 -7.399 -13.026 1.00 3.54 H new ATOM 0 HG LEU A 3 15.205 -8.449 -15.065 1.00 75.42 H new ATOM 0 HD11 LEU A 3 14.283 -7.866 -17.273 1.00 64.14 H new ATOM 0 HD12 LEU A 3 13.216 -8.966 -16.369 1.00 64.14 H new ATOM 0 HD13 LEU A 3 12.817 -7.235 -16.486 1.00 64.14 H new ATOM 0 HD21 LEU A 3 15.700 -6.244 -16.099 1.00 3.51 H new ATOM 0 HD22 LEU A 3 14.314 -5.540 -15.234 1.00 3.51 H new ATOM 0 HD23 LEU A 3 15.710 -6.161 -14.322 1.00 3.51 H new ATOM 51 N ASN A 4 12.040 -10.747 -15.120 1.00 63.53 N ATOM 52 CA ASN A 4 10.986 -11.248 -16.016 1.00 62.44 C ATOM 53 C ASN A 4 9.715 -11.653 -15.245 1.00 41.31 C ATOM 54 O ASN A 4 8.660 -11.037 -15.399 1.00 21.33 O ATOM 55 CB ASN A 4 11.500 -12.448 -16.823 1.00 33.43 C ATOM 56 CG ASN A 4 12.754 -12.125 -17.611 1.00 71.42 C ATOM 57 OD1 ASN A 4 12.981 -10.986 -17.997 1.00 4.53 O ATOM 58 ND2 ASN A 4 13.578 -13.122 -17.859 1.00 11.13 N ATOM 0 H ASN A 4 12.897 -11.300 -15.133 1.00 63.53 H new ATOM 0 HA ASN A 4 10.724 -10.433 -16.691 1.00 62.44 H new ATOM 0 HB2 ASN A 4 11.704 -13.277 -16.145 1.00 33.43 H new ATOM 0 HB3 ASN A 4 10.720 -12.782 -17.508 1.00 33.43 H new ATOM 0 HD21 ASN A 4 14.435 -12.956 -18.387 1.00 11.13 H new ATOM 0 HD22 ASN A 4 13.359 -14.060 -17.523 1.00 11.13 H new ATOM 65 N ARG A 5 9.822 -12.695 -14.418 1.00 54.43 N ATOM 66 CA ARG A 5 8.670 -13.200 -13.653 1.00 41.34 C ATOM 67 C ARG A 5 8.590 -12.586 -12.245 1.00 73.55 C ATOM 68 O ARG A 5 7.712 -12.934 -11.455 1.00 54.33 O ATOM 69 CB ARG A 5 8.728 -14.733 -13.576 1.00 75.12 C ATOM 70 CG ARG A 5 8.600 -15.399 -14.946 1.00 73.53 C ATOM 71 CD ARG A 5 8.695 -16.921 -14.869 1.00 44.54 C ATOM 72 NE ARG A 5 8.523 -17.540 -16.184 1.00 71.40 N ATOM 73 CZ ARG A 5 9.195 -18.576 -16.612 1.00 23.32 C ATOM 74 NH1 ARG A 5 10.045 -19.180 -15.845 1.00 35.32 N ATOM 75 NH2 ARG A 5 8.993 -19.020 -17.808 1.00 24.05 N ATOM 0 H ARG A 5 10.690 -13.207 -14.258 1.00 54.43 H new ATOM 0 HA ARG A 5 7.764 -12.898 -14.179 1.00 41.34 H new ATOM 0 HB2 ARG A 5 9.670 -15.034 -13.117 1.00 75.12 H new ATOM 0 HB3 ARG A 5 7.929 -15.090 -12.927 1.00 75.12 H new ATOM 0 HG2 ARG A 5 7.646 -15.120 -15.394 1.00 73.53 H new ATOM 0 HG3 ARG A 5 9.383 -15.022 -15.604 1.00 73.53 H new ATOM 0 HD2 ARG A 5 9.663 -17.205 -14.457 1.00 44.54 H new ATOM 0 HD3 ARG A 5 7.934 -17.299 -14.186 1.00 44.54 H new ATOM 0 HE ARG A 5 7.829 -17.134 -16.811 1.00 71.40 H new ATOM 0 HH11 ARG A 5 10.198 -18.849 -14.892 1.00 35.32 H new ATOM 0 HH12 ARG A 5 10.562 -19.987 -16.193 1.00 35.32 H new ATOM 0 HH21 ARG A 5 8.312 -18.562 -18.414 1.00 24.05 H new ATOM 0 HH22 ARG A 5 9.515 -19.828 -18.147 1.00 24.05 H new ATOM 89 N MET A 6 9.512 -11.676 -11.936 1.00 24.32 N ATOM 90 CA MET A 6 9.463 -10.920 -10.675 1.00 74.52 C ATOM 91 C MET A 6 8.750 -9.574 -10.873 1.00 12.43 C ATOM 92 O MET A 6 7.911 -9.177 -10.063 1.00 74.42 O ATOM 93 CB MET A 6 10.878 -10.684 -10.132 1.00 14.43 C ATOM 94 CG MET A 6 11.605 -11.962 -9.733 1.00 72.11 C ATOM 95 SD MET A 6 13.268 -11.655 -9.099 1.00 4.40 S ATOM 96 CE MET A 6 12.908 -10.667 -7.647 1.00 20.11 C ATOM 0 H MET A 6 10.302 -11.441 -12.537 1.00 24.32 H new ATOM 0 HA MET A 6 8.901 -11.511 -9.952 1.00 74.52 H new ATOM 0 HB2 MET A 6 11.465 -10.164 -10.889 1.00 14.43 H new ATOM 0 HB3 MET A 6 10.819 -10.025 -9.266 1.00 14.43 H new ATOM 0 HG2 MET A 6 11.022 -12.483 -8.974 1.00 72.11 H new ATOM 0 HG3 MET A 6 11.667 -12.624 -10.597 1.00 72.11 H new ATOM 0 HE1 MET A 6 13.766 -10.682 -6.975 1.00 20.11 H new ATOM 0 HE2 MET A 6 12.700 -9.640 -7.948 1.00 20.11 H new ATOM 0 HE3 MET A 6 12.038 -11.078 -7.134 1.00 20.11 H new ATOM 106 N GLY A 7 9.092 -8.883 -11.964 1.00 70.33 N ATOM 107 CA GLY A 7 8.478 -7.597 -12.276 1.00 52.32 C ATOM 108 C GLY A 7 8.808 -6.500 -11.267 1.00 65.23 C ATOM 109 O GLY A 7 9.889 -6.485 -10.679 1.00 3.32 O ATOM 0 H GLY A 7 9.788 -9.194 -12.641 1.00 70.33 H new ATOM 0 HA2 GLY A 7 8.805 -7.279 -13.266 1.00 52.32 H new ATOM 0 HA3 GLY A 7 7.396 -7.722 -12.323 1.00 52.32 H new ATOM 113 N LYS A 8 7.873 -5.569 -11.083 1.00 4.00 N ATOM 114 CA LYS A 8 8.024 -4.469 -10.120 1.00 21.31 C ATOM 115 C LYS A 8 6.688 -4.172 -9.427 1.00 1.05 C ATOM 116 O LYS A 8 5.629 -4.603 -9.889 1.00 53.12 O ATOM 117 CB LYS A 8 8.555 -3.202 -10.823 1.00 35.55 C ATOM 118 CG LYS A 8 10.022 -3.284 -11.259 1.00 34.15 C ATOM 119 CD LYS A 8 10.994 -2.746 -10.197 1.00 32.14 C ATOM 120 CE LYS A 8 10.950 -3.525 -8.885 1.00 60.00 C ATOM 121 NZ LYS A 8 11.382 -4.939 -9.051 1.00 54.02 N ATOM 0 H LYS A 8 6.990 -5.552 -11.594 1.00 4.00 H new ATOM 0 HA LYS A 8 8.747 -4.775 -9.363 1.00 21.31 H new ATOM 0 HB2 LYS A 8 7.939 -3.004 -11.700 1.00 35.55 H new ATOM 0 HB3 LYS A 8 8.436 -2.352 -10.151 1.00 35.55 H new ATOM 0 HG2 LYS A 8 10.272 -4.322 -11.481 1.00 34.15 H new ATOM 0 HG3 LYS A 8 10.153 -2.720 -12.183 1.00 34.15 H new ATOM 0 HD2 LYS A 8 12.008 -2.776 -10.595 1.00 32.14 H new ATOM 0 HD3 LYS A 8 10.761 -1.700 -9.998 1.00 32.14 H new ATOM 0 HE2 LYS A 8 11.592 -3.035 -8.153 1.00 60.00 H new ATOM 0 HE3 LYS A 8 9.936 -3.502 -8.486 1.00 60.00 H new ATOM 0 HZ1 LYS A 8 11.367 -5.417 -8.128 1.00 54.02 H new ATOM 0 HZ2 LYS A 8 10.734 -5.426 -9.703 1.00 54.02 H new ATOM 0 HZ3 LYS A 8 12.347 -4.964 -9.439 1.00 54.02 H new ATOM 135 N ASP A 9 6.739 -3.429 -8.325 1.00 71.40 N ATOM 136 CA ASP A 9 5.543 -3.155 -7.523 1.00 44.42 C ATOM 137 C ASP A 9 4.890 -1.812 -7.887 1.00 14.40 C ATOM 138 O ASP A 9 5.572 -0.797 -8.036 1.00 24.32 O ATOM 139 CB ASP A 9 5.902 -3.123 -6.035 1.00 0.32 C ATOM 140 CG ASP A 9 6.690 -4.333 -5.581 1.00 50.50 C ATOM 141 OD1 ASP A 9 6.084 -5.400 -5.380 1.00 72.41 O ATOM 142 OD2 ASP A 9 7.921 -4.208 -5.394 1.00 22.11 O ATOM 0 H ASP A 9 7.594 -3.005 -7.964 1.00 71.40 H new ATOM 0 HA ASP A 9 4.835 -3.956 -7.736 1.00 44.42 H new ATOM 0 HB2 ASP A 9 6.481 -2.223 -5.828 1.00 0.32 H new ATOM 0 HB3 ASP A 9 4.985 -3.055 -5.449 1.00 0.32 H new ATOM 147 N GLU A 10 3.570 -1.821 -8.023 1.00 35.01 N ATOM 148 CA GLU A 10 2.779 -0.587 -8.061 1.00 43.11 C ATOM 149 C GLU A 10 1.474 -0.794 -7.279 1.00 41.44 C ATOM 150 O GLU A 10 0.794 -1.808 -7.439 1.00 63.22 O ATOM 151 CB GLU A 10 2.479 -0.127 -9.500 1.00 74.00 C ATOM 152 CG GLU A 10 1.587 -1.067 -10.308 1.00 73.14 C ATOM 153 CD GLU A 10 1.112 -0.437 -11.610 1.00 31.10 C ATOM 154 OE1 GLU A 10 0.061 0.238 -11.600 1.00 24.44 O ATOM 155 OE2 GLU A 10 1.794 -0.596 -12.648 1.00 13.21 O ATOM 0 H GLU A 10 3.017 -2.674 -8.110 1.00 35.01 H new ATOM 0 HA GLU A 10 3.368 0.203 -7.596 1.00 43.11 H new ATOM 0 HB2 GLU A 10 2.005 0.854 -9.460 1.00 74.00 H new ATOM 0 HB3 GLU A 10 3.424 -0.003 -10.030 1.00 74.00 H new ATOM 0 HG2 GLU A 10 2.135 -1.983 -10.529 1.00 73.14 H new ATOM 0 HG3 GLU A 10 0.723 -1.350 -9.707 1.00 73.14 H new ATOM 162 N TYR A 11 1.136 0.156 -6.414 1.00 14.10 N ATOM 163 CA TYR A 11 -0.019 0.004 -5.520 1.00 60.24 C ATOM 164 C TYR A 11 -1.058 1.110 -5.747 1.00 64.32 C ATOM 165 O TYR A 11 -0.718 2.292 -5.832 1.00 10.45 O ATOM 166 CB TYR A 11 0.440 0.030 -4.055 1.00 73.42 C ATOM 167 CG TYR A 11 1.608 -0.894 -3.740 1.00 32.24 C ATOM 168 CD1 TYR A 11 1.435 -2.271 -3.640 1.00 62.40 C ATOM 169 CD2 TYR A 11 2.881 -0.380 -3.529 1.00 42.32 C ATOM 170 CE1 TYR A 11 2.500 -3.106 -3.343 1.00 71.03 C ATOM 171 CE2 TYR A 11 3.945 -1.207 -3.234 1.00 43.34 C ATOM 172 CZ TYR A 11 3.752 -2.566 -3.140 1.00 31.41 C ATOM 173 OH TYR A 11 4.819 -3.388 -2.840 1.00 10.14 O ATOM 0 H TYR A 11 1.639 1.037 -6.309 1.00 14.10 H new ATOM 0 HA TYR A 11 -0.485 -0.955 -5.745 1.00 60.24 H new ATOM 0 HB2 TYR A 11 0.721 1.050 -3.794 1.00 73.42 H new ATOM 0 HB3 TYR A 11 -0.403 -0.241 -3.419 1.00 73.42 H new ATOM 0 HD1 TYR A 11 0.454 -2.696 -3.796 1.00 62.40 H new ATOM 0 HD2 TYR A 11 3.041 0.686 -3.597 1.00 42.32 H new ATOM 0 HE1 TYR A 11 2.350 -4.173 -3.271 1.00 71.03 H new ATOM 0 HE2 TYR A 11 4.928 -0.788 -3.077 1.00 43.34 H new ATOM 0 HH TYR A 11 5.628 -2.846 -2.729 1.00 10.14 H new ATOM 183 N TYR A 12 -2.329 0.717 -5.832 1.00 44.23 N ATOM 184 CA TYR A 12 -3.433 1.674 -5.974 1.00 42.23 C ATOM 185 C TYR A 12 -3.883 2.186 -4.595 1.00 23.41 C ATOM 186 O TYR A 12 -4.605 1.495 -3.868 1.00 62.22 O ATOM 187 CB TYR A 12 -4.620 1.018 -6.700 1.00 3.51 C ATOM 188 CG TYR A 12 -4.278 0.455 -8.071 1.00 11.15 C ATOM 189 CD1 TYR A 12 -3.695 -0.803 -8.201 1.00 55.04 C ATOM 190 CD2 TYR A 12 -4.547 1.173 -9.234 1.00 42.14 C ATOM 191 CE1 TYR A 12 -3.391 -1.325 -9.442 1.00 41.51 C ATOM 192 CE2 TYR A 12 -4.244 0.655 -10.479 1.00 42.31 C ATOM 193 CZ TYR A 12 -3.666 -0.593 -10.576 1.00 3.21 C ATOM 194 OH TYR A 12 -3.370 -1.115 -11.815 1.00 24.31 O ATOM 0 H TYR A 12 -2.623 -0.259 -5.805 1.00 44.23 H new ATOM 0 HA TYR A 12 -3.079 2.519 -6.565 1.00 42.23 H new ATOM 0 HB2 TYR A 12 -5.013 0.214 -6.077 1.00 3.51 H new ATOM 0 HB3 TYR A 12 -5.416 1.754 -6.810 1.00 3.51 H new ATOM 0 HD1 TYR A 12 -3.477 -1.381 -7.315 1.00 55.04 H new ATOM 0 HD2 TYR A 12 -5.000 2.151 -9.162 1.00 42.14 H new ATOM 0 HE1 TYR A 12 -2.940 -2.303 -9.524 1.00 41.51 H new ATOM 0 HE2 TYR A 12 -4.459 1.225 -11.371 1.00 42.31 H new ATOM 0 HH TYR A 12 -3.627 -0.474 -12.510 1.00 24.31 H new ATOM 204 N VAL A 13 -3.445 3.386 -4.225 1.00 45.01 N ATOM 205 CA VAL A 13 -3.765 3.954 -2.908 1.00 62.42 C ATOM 206 C VAL A 13 -4.699 5.166 -3.012 1.00 71.53 C ATOM 207 O VAL A 13 -4.936 5.700 -4.095 1.00 4.35 O ATOM 208 CB VAL A 13 -2.484 4.379 -2.145 1.00 11.42 C ATOM 209 CG1 VAL A 13 -1.536 3.199 -1.979 1.00 61.00 C ATOM 210 CG2 VAL A 13 -1.785 5.538 -2.849 1.00 2.34 C ATOM 0 H VAL A 13 -2.868 3.987 -4.813 1.00 45.01 H new ATOM 0 HA VAL A 13 -4.273 3.162 -2.357 1.00 62.42 H new ATOM 0 HB VAL A 13 -2.783 4.719 -1.153 1.00 11.42 H new ATOM 0 HG11 VAL A 13 -0.645 3.521 -1.441 1.00 61.00 H new ATOM 0 HG12 VAL A 13 -2.033 2.409 -1.417 1.00 61.00 H new ATOM 0 HG13 VAL A 13 -1.250 2.821 -2.961 1.00 61.00 H new ATOM 0 HG21 VAL A 13 -0.890 5.815 -2.292 1.00 2.34 H new ATOM 0 HG22 VAL A 13 -1.505 5.235 -3.858 1.00 2.34 H new ATOM 0 HG23 VAL A 13 -2.460 6.393 -2.900 1.00 2.34 H new ATOM 220 N GLN A 14 -5.234 5.584 -1.870 1.00 1.21 N ATOM 221 CA GLN A 14 -6.051 6.798 -1.779 1.00 52.20 C ATOM 222 C GLN A 14 -5.328 7.874 -0.959 1.00 51.42 C ATOM 223 O GLN A 14 -4.444 7.568 -0.155 1.00 63.31 O ATOM 224 CB GLN A 14 -7.420 6.482 -1.145 1.00 73.23 C ATOM 225 CG GLN A 14 -8.573 6.435 -2.143 1.00 74.13 C ATOM 226 CD GLN A 14 -8.822 7.780 -2.817 1.00 2.41 C ATOM 227 OE1 GLN A 14 -8.567 8.835 -2.243 1.00 72.24 O ATOM 228 NE2 GLN A 14 -9.321 7.753 -4.035 1.00 25.35 N ATOM 0 H GLN A 14 -5.117 5.096 -0.982 1.00 1.21 H new ATOM 0 HA GLN A 14 -6.211 7.177 -2.788 1.00 52.20 H new ATOM 0 HB2 GLN A 14 -7.358 5.522 -0.632 1.00 73.23 H new ATOM 0 HB3 GLN A 14 -7.640 7.234 -0.387 1.00 73.23 H new ATOM 0 HG2 GLN A 14 -8.359 5.685 -2.905 1.00 74.13 H new ATOM 0 HG3 GLN A 14 -9.480 6.117 -1.629 1.00 74.13 H new ATOM 0 HE21 GLN A 14 -9.522 6.860 -4.484 1.00 25.35 H new ATOM 0 HE22 GLN A 14 -9.507 8.626 -4.529 1.00 25.35 H new ATOM 237 N ILE A 15 -5.709 9.132 -1.159 1.00 61.10 N ATOM 238 CA ILE A 15 -5.105 10.239 -0.419 1.00 64.12 C ATOM 239 C ILE A 15 -5.548 10.213 1.055 1.00 4.51 C ATOM 240 O ILE A 15 -6.528 10.858 1.442 1.00 23.30 O ATOM 241 CB ILE A 15 -5.459 11.608 -1.061 1.00 5.21 C ATOM 242 CG1 ILE A 15 -5.059 11.621 -2.550 1.00 53.34 C ATOM 243 CG2 ILE A 15 -4.784 12.758 -0.308 1.00 20.23 C ATOM 244 CD1 ILE A 15 -3.579 11.389 -2.796 1.00 24.43 C ATOM 0 H ILE A 15 -6.430 9.411 -1.824 1.00 61.10 H new ATOM 0 HA ILE A 15 -4.023 10.114 -0.463 1.00 64.12 H new ATOM 0 HB ILE A 15 -6.537 11.750 -0.991 1.00 5.21 H new ATOM 0 HG12 ILE A 15 -5.628 10.854 -3.075 1.00 53.34 H new ATOM 0 HG13 ILE A 15 -5.342 12.580 -2.983 1.00 53.34 H new ATOM 0 HG21 ILE A 15 -5.048 13.705 -0.778 1.00 20.23 H new ATOM 0 HG22 ILE A 15 -5.120 12.761 0.729 1.00 20.23 H new ATOM 0 HG23 ILE A 15 -3.702 12.627 -0.338 1.00 20.23 H new ATOM 0 HD11 ILE A 15 -3.380 11.413 -3.867 1.00 24.43 H new ATOM 0 HD12 ILE A 15 -3.001 12.170 -2.302 1.00 24.43 H new ATOM 0 HD13 ILE A 15 -3.292 10.417 -2.395 1.00 24.43 H new ATOM 256 N THR A 16 -4.840 9.421 1.860 1.00 43.11 N ATOM 257 CA THR A 16 -5.148 9.274 3.290 1.00 72.02 C ATOM 258 C THR A 16 -4.775 10.531 4.086 1.00 2.05 C ATOM 259 O THR A 16 -5.623 11.128 4.756 1.00 45.33 O ATOM 260 CB THR A 16 -4.408 8.064 3.911 1.00 44.34 C ATOM 261 OG1 THR A 16 -2.988 8.235 3.775 1.00 50.13 O ATOM 262 CG2 THR A 16 -4.827 6.753 3.248 1.00 22.14 C ATOM 0 H THR A 16 -4.043 8.866 1.547 1.00 43.11 H new ATOM 0 HA THR A 16 -6.225 9.114 3.351 1.00 72.02 H new ATOM 0 HB THR A 16 -4.676 8.016 4.966 1.00 44.34 H new ATOM 0 HG1 THR A 16 -2.527 7.467 4.172 1.00 50.13 H new ATOM 0 HG21 THR A 16 -4.289 5.924 3.708 1.00 22.14 H new ATOM 0 HG22 THR A 16 -5.899 6.606 3.378 1.00 22.14 H new ATOM 0 HG23 THR A 16 -4.593 6.792 2.184 1.00 22.14 H new ATOM 270 N VAL A 17 -3.500 10.912 4.027 1.00 73.34 N ATOM 271 CA VAL A 17 -3.007 12.107 4.723 1.00 35.44 C ATOM 272 C VAL A 17 -2.584 13.208 3.730 1.00 54.10 C ATOM 273 O VAL A 17 -1.555 13.107 3.061 1.00 70.04 O ATOM 274 CB VAL A 17 -1.823 11.756 5.670 1.00 3.21 C ATOM 275 CG1 VAL A 17 -2.312 10.911 6.846 1.00 14.01 C ATOM 276 CG2 VAL A 17 -0.714 11.020 4.916 1.00 61.31 C ATOM 0 H VAL A 17 -2.784 10.410 3.502 1.00 73.34 H new ATOM 0 HA VAL A 17 -3.832 12.491 5.324 1.00 35.44 H new ATOM 0 HB VAL A 17 -1.412 12.690 6.054 1.00 3.21 H new ATOM 0 HG11 VAL A 17 -1.471 10.674 7.498 1.00 14.01 H new ATOM 0 HG12 VAL A 17 -3.062 11.468 7.408 1.00 14.01 H new ATOM 0 HG13 VAL A 17 -2.752 9.987 6.472 1.00 14.01 H new ATOM 0 HG21 VAL A 17 0.100 10.787 5.602 1.00 61.31 H new ATOM 0 HG22 VAL A 17 -1.111 10.095 4.497 1.00 61.31 H new ATOM 0 HG23 VAL A 17 -0.340 11.652 4.111 1.00 61.31 H new ATOM 286 N ASP A 18 -3.403 14.251 3.629 1.00 72.35 N ATOM 287 CA ASP A 18 -3.106 15.396 2.763 1.00 24.31 C ATOM 288 C ASP A 18 -2.614 16.602 3.584 1.00 32.11 C ATOM 289 O ASP A 18 -2.999 16.778 4.742 1.00 41.23 O ATOM 290 CB ASP A 18 -4.350 15.772 1.942 1.00 10.34 C ATOM 291 CG ASP A 18 -5.578 16.011 2.809 1.00 62.52 C ATOM 292 OD1 ASP A 18 -6.221 15.021 3.223 1.00 32.42 O ATOM 293 OD2 ASP A 18 -5.908 17.183 3.079 1.00 24.23 O ATOM 0 H ASP A 18 -4.283 14.330 4.138 1.00 72.35 H new ATOM 0 HA ASP A 18 -2.305 15.110 2.081 1.00 24.31 H new ATOM 0 HB2 ASP A 18 -4.139 16.671 1.363 1.00 10.34 H new ATOM 0 HB3 ASP A 18 -4.564 14.976 1.229 1.00 10.34 H new ATOM 298 N GLY A 19 -1.748 17.422 2.981 1.00 42.42 N ATOM 299 CA GLY A 19 -1.234 18.609 3.662 1.00 72.32 C ATOM 300 C GLY A 19 -0.256 18.308 4.798 1.00 41.41 C ATOM 301 O GLY A 19 0.112 19.208 5.555 1.00 41.51 O ATOM 0 H GLY A 19 -1.393 17.287 2.034 1.00 42.42 H new ATOM 0 HA2 GLY A 19 -0.738 19.247 2.931 1.00 72.32 H new ATOM 0 HA3 GLY A 19 -2.074 19.176 4.062 1.00 72.32 H new ATOM 305 N LYS A 20 0.172 17.050 4.921 1.00 21.12 N ATOM 306 CA LYS A 20 1.076 16.638 6.000 1.00 4.40 C ATOM 307 C LYS A 20 2.516 17.085 5.678 1.00 63.43 C ATOM 308 O LYS A 20 3.299 16.332 5.109 1.00 60.22 O ATOM 309 CB LYS A 20 0.982 15.105 6.180 1.00 34.52 C ATOM 310 CG LYS A 20 1.424 14.575 7.549 1.00 64.04 C ATOM 311 CD LYS A 20 2.943 14.516 7.705 1.00 71.03 C ATOM 312 CE LYS A 20 3.344 13.872 9.030 1.00 20.33 C ATOM 313 NZ LYS A 20 4.818 13.749 9.163 1.00 23.45 N ATOM 0 H LYS A 20 -0.093 16.297 4.286 1.00 21.12 H new ATOM 0 HA LYS A 20 0.785 17.114 6.937 1.00 4.40 H new ATOM 0 HB2 LYS A 20 -0.050 14.798 6.006 1.00 34.52 H new ATOM 0 HB3 LYS A 20 1.590 14.628 5.411 1.00 34.52 H new ATOM 0 HG2 LYS A 20 1.009 15.212 8.330 1.00 64.04 H new ATOM 0 HG3 LYS A 20 1.010 13.578 7.697 1.00 64.04 H new ATOM 0 HD2 LYS A 20 3.373 13.950 6.879 1.00 71.03 H new ATOM 0 HD3 LYS A 20 3.355 15.524 7.649 1.00 71.03 H new ATOM 0 HE2 LYS A 20 2.954 14.467 9.856 1.00 20.33 H new ATOM 0 HE3 LYS A 20 2.889 12.884 9.106 1.00 20.33 H new ATOM 0 HZ1 LYS A 20 5.073 13.703 10.170 1.00 23.45 H new ATOM 0 HZ2 LYS A 20 5.139 12.883 8.685 1.00 23.45 H new ATOM 0 HZ3 LYS A 20 5.276 14.575 8.727 1.00 23.45 H new ATOM 327 N GLU A 21 2.845 18.329 6.019 1.00 72.22 N ATOM 328 CA GLU A 21 4.125 18.929 5.614 1.00 50.34 C ATOM 329 C GLU A 21 5.280 18.565 6.560 1.00 1.22 C ATOM 330 O GLU A 21 5.080 18.335 7.754 1.00 71.12 O ATOM 331 CB GLU A 21 3.983 20.455 5.513 1.00 74.23 C ATOM 332 CG GLU A 21 3.610 21.134 6.826 1.00 11.01 C ATOM 333 CD GLU A 21 3.431 22.635 6.674 1.00 73.14 C ATOM 334 OE1 GLU A 21 4.440 23.369 6.725 1.00 31.44 O ATOM 335 OE2 GLU A 21 2.283 23.089 6.488 1.00 44.33 O ATOM 0 H GLU A 21 2.249 18.944 6.573 1.00 72.22 H new ATOM 0 HA GLU A 21 4.375 18.516 4.637 1.00 50.34 H new ATOM 0 HB2 GLU A 21 4.923 20.874 5.154 1.00 74.23 H new ATOM 0 HB3 GLU A 21 3.224 20.690 4.767 1.00 74.23 H new ATOM 0 HG2 GLU A 21 2.687 20.698 7.207 1.00 11.01 H new ATOM 0 HG3 GLU A 21 4.385 20.937 7.566 1.00 11.01 H new ATOM 342 N VAL A 22 6.493 18.525 6.012 1.00 32.22 N ATOM 343 CA VAL A 22 7.690 18.166 6.773 1.00 63.21 C ATOM 344 C VAL A 22 8.742 19.287 6.730 1.00 23.12 C ATOM 345 O VAL A 22 9.491 19.433 5.761 1.00 31.43 O ATOM 346 CB VAL A 22 8.308 16.831 6.270 1.00 53.14 C ATOM 347 CG1 VAL A 22 7.436 15.647 6.690 1.00 65.31 C ATOM 348 CG2 VAL A 22 8.493 16.844 4.750 1.00 0.32 C ATOM 0 H VAL A 22 6.674 18.740 5.031 1.00 32.22 H new ATOM 0 HA VAL A 22 7.377 18.029 7.808 1.00 63.21 H new ATOM 0 HB VAL A 22 9.291 16.723 6.728 1.00 53.14 H new ATOM 0 HG11 VAL A 22 7.883 14.720 6.330 1.00 65.31 H new ATOM 0 HG12 VAL A 22 7.363 15.616 7.777 1.00 65.31 H new ATOM 0 HG13 VAL A 22 6.440 15.759 6.263 1.00 65.31 H new ATOM 0 HG21 VAL A 22 8.927 15.897 4.428 1.00 0.32 H new ATOM 0 HG22 VAL A 22 7.526 16.983 4.267 1.00 0.32 H new ATOM 0 HG23 VAL A 22 9.158 17.661 4.471 1.00 0.32 H new ATOM 358 N HIS A 23 8.756 20.104 7.778 1.00 12.43 N ATOM 359 CA HIS A 23 9.737 21.186 7.921 1.00 53.22 C ATOM 360 C HIS A 23 10.760 20.859 9.019 1.00 55.41 C ATOM 361 O HIS A 23 10.667 21.363 10.136 1.00 15.40 O ATOM 362 CB HIS A 23 9.022 22.506 8.243 1.00 53.24 C ATOM 363 CG HIS A 23 9.935 23.685 8.431 1.00 30.40 C ATOM 364 ND1 HIS A 23 10.659 24.252 7.404 1.00 5.44 N ATOM 365 CD2 HIS A 23 10.233 24.411 9.539 1.00 1.24 C ATOM 366 CE1 HIS A 23 11.357 25.267 7.871 1.00 62.33 C ATOM 367 NE2 HIS A 23 11.117 25.386 9.155 1.00 41.40 N ATOM 0 H HIS A 23 8.094 20.040 8.551 1.00 12.43 H new ATOM 0 HA HIS A 23 10.271 21.289 6.977 1.00 53.22 H new ATOM 0 HB2 HIS A 23 8.322 22.730 7.438 1.00 53.24 H new ATOM 0 HB3 HIS A 23 8.432 22.372 9.150 1.00 53.24 H new ATOM 0 HD1 HIS A 23 10.655 23.935 6.434 1.00 5.44 H new ATOM 0 HD2 HIS A 23 9.847 24.251 10.535 1.00 1.24 H new ATOM 0 HE1 HIS A 23 12.017 25.896 7.293 1.00 62.33 H new ATOM 376 N SER A 24 11.728 20.006 8.699 1.00 22.43 N ATOM 377 CA SER A 24 12.766 19.624 9.665 1.00 4.44 C ATOM 378 C SER A 24 14.079 19.286 8.948 1.00 22.54 C ATOM 379 O SER A 24 14.470 18.119 8.857 1.00 1.41 O ATOM 380 CB SER A 24 12.304 18.430 10.519 1.00 51.53 C ATOM 381 OG SER A 24 13.203 18.179 11.591 1.00 52.32 O ATOM 0 H SER A 24 11.820 19.565 7.784 1.00 22.43 H new ATOM 0 HA SER A 24 12.940 20.475 10.324 1.00 4.44 H new ATOM 0 HB2 SER A 24 11.309 18.629 10.916 1.00 51.53 H new ATOM 0 HB3 SER A 24 12.226 17.542 9.892 1.00 51.53 H new ATOM 0 HG SER A 24 12.882 17.416 12.116 1.00 52.32 H new ATOM 387 N LYS A 25 14.744 20.316 8.430 1.00 64.11 N ATOM 388 CA LYS A 25 15.994 20.141 7.675 1.00 31.51 C ATOM 389 C LYS A 25 16.555 21.507 7.227 1.00 15.10 C ATOM 390 O LYS A 25 17.026 21.660 6.098 1.00 22.11 O ATOM 391 CB LYS A 25 15.749 19.247 6.440 1.00 24.34 C ATOM 392 CG LYS A 25 17.011 18.583 5.891 1.00 71.35 C ATOM 393 CD LYS A 25 17.524 17.469 6.809 1.00 73.13 C ATOM 394 CE LYS A 25 16.736 16.166 6.653 1.00 43.41 C ATOM 395 NZ LYS A 25 15.294 16.310 6.999 1.00 20.23 N ATOM 0 H LYS A 25 14.441 21.286 8.517 1.00 64.11 H new ATOM 0 HA LYS A 25 16.723 19.660 8.327 1.00 31.51 H new ATOM 0 HB2 LYS A 25 15.029 18.472 6.703 1.00 24.34 H new ATOM 0 HB3 LYS A 25 15.296 19.850 5.653 1.00 24.34 H new ATOM 0 HG2 LYS A 25 16.803 18.171 4.904 1.00 71.35 H new ATOM 0 HG3 LYS A 25 17.790 19.335 5.765 1.00 71.35 H new ATOM 0 HD2 LYS A 25 18.576 17.281 6.593 1.00 73.13 H new ATOM 0 HD3 LYS A 25 17.466 17.802 7.845 1.00 73.13 H new ATOM 0 HE2 LYS A 25 16.823 15.816 5.624 1.00 43.41 H new ATOM 0 HE3 LYS A 25 17.181 15.401 7.289 1.00 43.41 H new ATOM 0 HZ1 LYS A 25 14.887 15.372 7.188 1.00 20.23 H new ATOM 0 HZ2 LYS A 25 15.198 16.906 7.846 1.00 20.23 H new ATOM 0 HZ3 LYS A 25 14.789 16.753 6.205 1.00 20.23 H new ATOM 409 N ALA A 26 16.499 22.499 8.116 1.00 2.34 N ATOM 410 CA ALA A 26 16.952 23.861 7.788 1.00 63.25 C ATOM 411 C ALA A 26 18.486 23.995 7.814 1.00 32.40 C ATOM 412 O ALA A 26 19.054 24.811 7.085 1.00 53.22 O ATOM 413 CB ALA A 26 16.315 24.873 8.737 1.00 61.02 C ATOM 0 H ALA A 26 16.147 22.391 9.067 1.00 2.34 H new ATOM 0 HA ALA A 26 16.631 24.069 6.767 1.00 63.25 H new ATOM 0 HB1 ALA A 26 16.658 25.876 8.483 1.00 61.02 H new ATOM 0 HB2 ALA A 26 15.230 24.827 8.644 1.00 61.02 H new ATOM 0 HB3 ALA A 26 16.601 24.640 9.763 1.00 61.02 H new ATOM 419 N ASP A 27 19.142 23.199 8.657 1.00 41.52 N ATOM 420 CA ASP A 27 20.608 23.234 8.811 1.00 54.32 C ATOM 421 C ASP A 27 21.101 24.614 9.287 1.00 44.11 C ATOM 422 O ASP A 27 21.333 24.829 10.481 1.00 21.23 O ATOM 423 CB ASP A 27 21.311 22.840 7.501 1.00 52.41 C ATOM 424 CG ASP A 27 20.935 21.446 7.028 1.00 12.12 C ATOM 425 OD1 ASP A 27 21.207 20.472 7.757 1.00 24.42 O ATOM 426 OD2 ASP A 27 20.386 21.314 5.915 1.00 22.31 O ATOM 0 H ASP A 27 18.681 22.512 9.253 1.00 41.52 H new ATOM 0 HA ASP A 27 20.866 22.504 9.578 1.00 54.32 H new ATOM 0 HB2 ASP A 27 21.057 23.563 6.726 1.00 52.41 H new ATOM 0 HB3 ASP A 27 22.390 22.892 7.643 1.00 52.41 H new ATOM 431 N ASN A 28 21.252 25.549 8.351 1.00 51.12 N ATOM 432 CA ASN A 28 21.712 26.907 8.670 1.00 43.51 C ATOM 433 C ASN A 28 20.568 27.931 8.542 1.00 14.31 C ATOM 434 O ASN A 28 20.680 29.071 9.001 1.00 21.05 O ATOM 435 CB ASN A 28 22.873 27.295 7.740 1.00 14.53 C ATOM 436 CG ASN A 28 23.546 28.594 8.149 1.00 31.35 C ATOM 437 OD1 ASN A 28 23.617 28.927 9.328 1.00 50.35 O ATOM 438 ND2 ASN A 28 24.032 29.344 7.183 1.00 54.45 N ATOM 0 H ASN A 28 21.063 25.394 7.361 1.00 51.12 H new ATOM 0 HA ASN A 28 22.055 26.916 9.704 1.00 43.51 H new ATOM 0 HB2 ASN A 28 23.612 26.494 7.735 1.00 14.53 H new ATOM 0 HB3 ASN A 28 22.500 27.390 6.720 1.00 14.53 H new ATOM 0 HD21 ASN A 28 24.484 30.231 7.404 1.00 54.45 H new ATOM 0 HD22 ASN A 28 23.957 29.038 6.213 1.00 54.45 H new ATOM 445 N GLY A 29 19.474 27.523 7.910 1.00 20.12 N ATOM 446 CA GLY A 29 18.330 28.415 7.726 1.00 13.23 C ATOM 447 C GLY A 29 17.573 28.183 6.419 1.00 33.31 C ATOM 448 O GLY A 29 16.904 29.086 5.917 1.00 34.41 O ATOM 0 H GLY A 29 19.353 26.589 7.518 1.00 20.12 H new ATOM 0 HA2 GLY A 29 17.642 28.286 8.562 1.00 13.23 H new ATOM 0 HA3 GLY A 29 18.677 29.448 7.756 1.00 13.23 H new ATOM 452 N GLN A 30 17.673 26.973 5.869 1.00 72.15 N ATOM 453 CA GLN A 30 16.937 26.609 4.654 1.00 32.05 C ATOM 454 C GLN A 30 15.499 26.212 5.009 1.00 62.30 C ATOM 455 O GLN A 30 15.208 25.059 5.326 1.00 34.52 O ATOM 456 CB GLN A 30 17.655 25.471 3.923 1.00 5.23 C ATOM 457 CG GLN A 30 17.089 25.154 2.542 1.00 10.15 C ATOM 458 CD GLN A 30 17.900 24.096 1.812 1.00 24.33 C ATOM 459 OE1 GLN A 30 18.848 24.402 1.096 1.00 34.52 O ATOM 460 NE2 GLN A 30 17.548 22.844 1.998 1.00 31.23 N ATOM 0 H GLN A 30 18.257 26.226 6.245 1.00 72.15 H new ATOM 0 HA GLN A 30 16.899 27.471 3.988 1.00 32.05 H new ATOM 0 HB2 GLN A 30 18.709 25.729 3.820 1.00 5.23 H new ATOM 0 HB3 GLN A 30 17.606 24.572 4.538 1.00 5.23 H new ATOM 0 HG2 GLN A 30 16.059 24.812 2.644 1.00 10.15 H new ATOM 0 HG3 GLN A 30 17.064 26.065 1.945 1.00 10.15 H new ATOM 0 HE21 GLN A 30 16.755 22.621 2.599 1.00 31.23 H new ATOM 0 HE22 GLN A 30 18.068 22.095 1.541 1.00 31.23 H new ATOM 469 N LYS A 31 14.610 27.188 4.953 1.00 22.25 N ATOM 470 CA LYS A 31 13.257 27.066 5.508 1.00 32.15 C ATOM 471 C LYS A 31 12.245 26.479 4.506 1.00 30.43 C ATOM 472 O LYS A 31 11.074 26.867 4.491 1.00 42.32 O ATOM 473 CB LYS A 31 12.805 28.451 5.996 1.00 44.11 C ATOM 474 CG LYS A 31 13.777 29.065 6.999 1.00 3.14 C ATOM 475 CD LYS A 31 13.399 30.490 7.396 1.00 72.13 C ATOM 476 CE LYS A 31 14.434 31.082 8.349 1.00 52.40 C ATOM 477 NZ LYS A 31 14.089 32.462 8.780 1.00 24.32 N ATOM 0 H LYS A 31 14.798 28.093 4.522 1.00 22.25 H new ATOM 0 HA LYS A 31 13.291 26.361 6.339 1.00 32.15 H new ATOM 0 HB2 LYS A 31 12.702 29.118 5.140 1.00 44.11 H new ATOM 0 HB3 LYS A 31 11.820 28.367 6.455 1.00 44.11 H new ATOM 0 HG2 LYS A 31 13.812 28.441 7.892 1.00 3.14 H new ATOM 0 HG3 LYS A 31 14.780 29.066 6.572 1.00 3.14 H new ATOM 0 HD2 LYS A 31 13.322 31.112 6.504 1.00 72.13 H new ATOM 0 HD3 LYS A 31 12.418 30.491 7.871 1.00 72.13 H new ATOM 0 HE2 LYS A 31 14.522 30.442 9.227 1.00 52.40 H new ATOM 0 HE3 LYS A 31 15.409 31.090 7.861 1.00 52.40 H new ATOM 0 HZ1 LYS A 31 14.823 32.818 9.425 1.00 24.32 H new ATOM 0 HZ2 LYS A 31 14.031 33.082 7.947 1.00 24.32 H new ATOM 0 HZ3 LYS A 31 13.172 32.454 9.270 1.00 24.32 H new ATOM 491 N TYR A 32 12.683 25.506 3.713 1.00 54.52 N ATOM 492 CA TYR A 32 11.805 24.867 2.721 1.00 41.40 C ATOM 493 C TYR A 32 10.824 23.877 3.384 1.00 13.43 C ATOM 494 O TYR A 32 11.009 23.477 4.541 1.00 63.14 O ATOM 495 CB TYR A 32 12.637 24.160 1.635 1.00 0.45 C ATOM 496 CG TYR A 32 13.289 22.855 2.068 1.00 60.54 C ATOM 497 CD1 TYR A 32 14.278 22.825 3.048 1.00 4.54 C ATOM 498 CD2 TYR A 32 12.928 21.653 1.471 1.00 74.00 C ATOM 499 CE1 TYR A 32 14.878 21.634 3.421 1.00 71.44 C ATOM 500 CE2 TYR A 32 13.521 20.463 1.840 1.00 14.43 C ATOM 501 CZ TYR A 32 14.498 20.458 2.811 1.00 21.22 C ATOM 502 OH TYR A 32 15.096 19.270 3.171 1.00 51.40 O ATOM 0 H TYR A 32 13.635 25.140 3.732 1.00 54.52 H new ATOM 0 HA TYR A 32 11.213 25.652 2.251 1.00 41.40 H new ATOM 0 HB2 TYR A 32 11.993 23.960 0.779 1.00 0.45 H new ATOM 0 HB3 TYR A 32 13.416 24.842 1.295 1.00 0.45 H new ATOM 0 HD1 TYR A 32 14.582 23.745 3.525 1.00 4.54 H new ATOM 0 HD2 TYR A 32 12.168 21.650 0.703 1.00 74.00 H new ATOM 0 HE1 TYR A 32 15.640 21.627 4.186 1.00 71.44 H new ATOM 0 HE2 TYR A 32 13.220 19.539 1.369 1.00 14.43 H new ATOM 0 HH TYR A 32 14.711 18.538 2.645 1.00 51.40 H new ATOM 512 N LYS A 33 9.777 23.495 2.647 1.00 12.52 N ATOM 513 CA LYS A 33 8.723 22.615 3.177 1.00 42.21 C ATOM 514 C LYS A 33 8.132 21.700 2.089 1.00 5.50 C ATOM 515 O LYS A 33 7.565 22.175 1.102 1.00 1.42 O ATOM 516 CB LYS A 33 7.607 23.469 3.808 1.00 51.04 C ATOM 517 CG LYS A 33 7.952 23.998 5.200 1.00 63.31 C ATOM 518 CD LYS A 33 7.168 25.260 5.557 1.00 63.01 C ATOM 519 CE LYS A 33 7.643 26.466 4.751 1.00 1.31 C ATOM 520 NZ LYS A 33 6.950 27.719 5.153 1.00 44.33 N ATOM 0 H LYS A 33 9.634 23.781 1.678 1.00 12.52 H new ATOM 0 HA LYS A 33 9.174 21.973 3.933 1.00 42.21 H new ATOM 0 HB2 LYS A 33 7.391 24.312 3.152 1.00 51.04 H new ATOM 0 HB3 LYS A 33 6.697 22.873 3.871 1.00 51.04 H new ATOM 0 HG2 LYS A 33 7.746 23.225 5.940 1.00 63.31 H new ATOM 0 HG3 LYS A 33 9.020 24.211 5.250 1.00 63.31 H new ATOM 0 HD2 LYS A 33 6.107 25.094 5.372 1.00 63.01 H new ATOM 0 HD3 LYS A 33 7.277 25.468 6.621 1.00 63.01 H new ATOM 0 HE2 LYS A 33 8.718 26.589 4.884 1.00 1.31 H new ATOM 0 HE3 LYS A 33 7.472 26.282 3.690 1.00 1.31 H new ATOM 0 HZ1 LYS A 33 7.304 28.511 4.580 1.00 44.33 H new ATOM 0 HZ2 LYS A 33 5.926 27.613 5.003 1.00 44.33 H new ATOM 0 HZ3 LYS A 33 7.134 27.910 6.159 1.00 44.33 H new ATOM 534 N ASP A 34 8.288 20.387 2.276 1.00 31.14 N ATOM 535 CA ASP A 34 7.658 19.384 1.405 1.00 1.03 C ATOM 536 C ASP A 34 6.438 18.759 2.101 1.00 54.03 C ATOM 537 O ASP A 34 6.134 19.086 3.248 1.00 43.24 O ATOM 538 CB ASP A 34 8.657 18.276 1.051 1.00 60.52 C ATOM 539 CG ASP A 34 9.940 18.814 0.450 1.00 32.14 C ATOM 540 OD1 ASP A 34 9.946 19.155 -0.750 1.00 30.11 O ATOM 541 OD2 ASP A 34 10.951 18.894 1.177 1.00 74.34 O ATOM 0 H ASP A 34 8.849 19.989 3.029 1.00 31.14 H new ATOM 0 HA ASP A 34 7.337 19.885 0.492 1.00 1.03 H new ATOM 0 HB2 ASP A 34 8.893 17.705 1.949 1.00 60.52 H new ATOM 0 HB3 ASP A 34 8.193 17.585 0.347 1.00 60.52 H new ATOM 546 N TYR A 35 5.749 17.855 1.409 1.00 61.31 N ATOM 547 CA TYR A 35 4.618 17.123 1.996 1.00 43.21 C ATOM 548 C TYR A 35 4.924 15.621 2.090 1.00 21.02 C ATOM 549 O TYR A 35 5.660 15.079 1.270 1.00 5.42 O ATOM 550 CB TYR A 35 3.344 17.377 1.179 1.00 72.12 C ATOM 551 CG TYR A 35 2.905 18.829 1.217 1.00 1.34 C ATOM 552 CD1 TYR A 35 2.273 19.348 2.343 1.00 10.02 C ATOM 553 CD2 TYR A 35 3.146 19.689 0.147 1.00 44.40 C ATOM 554 CE1 TYR A 35 1.889 20.672 2.400 1.00 63.12 C ATOM 555 CE2 TYR A 35 2.769 21.020 0.201 1.00 15.34 C ATOM 556 CZ TYR A 35 2.139 21.504 1.331 1.00 12.25 C ATOM 557 OH TYR A 35 1.773 22.829 1.400 1.00 1.23 O ATOM 0 H TYR A 35 5.950 17.608 0.440 1.00 61.31 H new ATOM 0 HA TYR A 35 4.456 17.489 3.010 1.00 43.21 H new ATOM 0 HB2 TYR A 35 3.515 17.080 0.144 1.00 72.12 H new ATOM 0 HB3 TYR A 35 2.540 16.748 1.562 1.00 72.12 H new ATOM 0 HD1 TYR A 35 2.080 18.703 3.187 1.00 10.02 H new ATOM 0 HD2 TYR A 35 3.635 19.311 -0.739 1.00 44.40 H new ATOM 0 HE1 TYR A 35 1.394 21.055 3.280 1.00 63.12 H new ATOM 0 HE2 TYR A 35 2.966 21.675 -0.635 1.00 15.34 H new ATOM 0 HH TYR A 35 2.020 23.280 0.566 1.00 1.23 H new ATOM 567 N GLU A 36 4.346 14.949 3.081 1.00 20.52 N ATOM 568 CA GLU A 36 4.689 13.549 3.368 1.00 33.43 C ATOM 569 C GLU A 36 3.466 12.636 3.238 1.00 32.22 C ATOM 570 O GLU A 36 2.573 12.645 4.087 1.00 44.30 O ATOM 571 CB GLU A 36 5.283 13.423 4.779 1.00 51.34 C ATOM 572 CG GLU A 36 5.715 12.006 5.146 1.00 51.51 C ATOM 573 CD GLU A 36 6.220 11.898 6.578 1.00 61.22 C ATOM 574 OE1 GLU A 36 7.436 12.087 6.805 1.00 34.31 O ATOM 575 OE2 GLU A 36 5.404 11.629 7.484 1.00 44.52 O ATOM 0 H GLU A 36 3.639 15.345 3.701 1.00 20.52 H new ATOM 0 HA GLU A 36 5.431 13.233 2.634 1.00 33.43 H new ATOM 0 HB2 GLU A 36 6.144 14.087 4.860 1.00 51.34 H new ATOM 0 HB3 GLU A 36 4.546 13.767 5.505 1.00 51.34 H new ATOM 0 HG2 GLU A 36 4.873 11.327 5.010 1.00 51.51 H new ATOM 0 HG3 GLU A 36 6.500 11.681 4.463 1.00 51.51 H new ATOM 582 N TYR A 37 3.430 11.846 2.173 1.00 2.42 N ATOM 583 CA TYR A 37 2.332 10.908 1.956 1.00 54.13 C ATOM 584 C TYR A 37 2.633 9.540 2.575 1.00 4.20 C ATOM 585 O TYR A 37 3.223 8.661 1.942 1.00 31.11 O ATOM 586 CB TYR A 37 2.019 10.784 0.460 1.00 0.42 C ATOM 587 CG TYR A 37 1.374 12.034 -0.111 1.00 75.33 C ATOM 588 CD1 TYR A 37 2.145 13.104 -0.549 1.00 54.34 C ATOM 589 CD2 TYR A 37 -0.012 12.149 -0.198 1.00 4.50 C ATOM 590 CE1 TYR A 37 1.559 14.247 -1.054 1.00 71.31 C ATOM 591 CE2 TYR A 37 -0.605 13.290 -0.701 1.00 13.33 C ATOM 592 CZ TYR A 37 0.186 14.336 -1.129 1.00 50.12 C ATOM 593 OH TYR A 37 -0.400 15.476 -1.626 1.00 4.54 O ATOM 0 H TYR A 37 4.146 11.834 1.446 1.00 2.42 H new ATOM 0 HA TYR A 37 1.448 11.302 2.458 1.00 54.13 H new ATOM 0 HB2 TYR A 37 2.941 10.575 -0.083 1.00 0.42 H new ATOM 0 HB3 TYR A 37 1.356 9.934 0.301 1.00 0.42 H new ATOM 0 HD1 TYR A 37 3.222 13.040 -0.493 1.00 54.34 H new ATOM 0 HD2 TYR A 37 -0.634 11.331 0.134 1.00 4.50 H new ATOM 0 HE1 TYR A 37 2.174 15.069 -1.389 1.00 71.31 H new ATOM 0 HE2 TYR A 37 -1.681 13.363 -0.759 1.00 13.33 H new ATOM 0 HH TYR A 37 -1.375 15.376 -1.611 1.00 4.54 H new ATOM 603 N LYS A 38 2.248 9.394 3.839 1.00 62.44 N ATOM 604 CA LYS A 38 2.386 8.132 4.570 1.00 53.24 C ATOM 605 C LYS A 38 1.183 7.221 4.267 1.00 71.54 C ATOM 606 O LYS A 38 0.141 7.314 4.919 1.00 23.32 O ATOM 607 CB LYS A 38 2.474 8.428 6.075 1.00 64.23 C ATOM 608 CG LYS A 38 3.041 7.287 6.915 1.00 13.31 C ATOM 609 CD LYS A 38 2.943 7.589 8.411 1.00 52.33 C ATOM 610 CE LYS A 38 3.476 8.981 8.761 1.00 74.25 C ATOM 611 NZ LYS A 38 4.916 9.144 8.433 1.00 73.13 N ATOM 0 H LYS A 38 1.831 10.145 4.388 1.00 62.44 H new ATOM 0 HA LYS A 38 3.295 7.619 4.255 1.00 53.24 H new ATOM 0 HB2 LYS A 38 3.094 9.313 6.222 1.00 64.23 H new ATOM 0 HB3 LYS A 38 1.477 8.672 6.443 1.00 64.23 H new ATOM 0 HG2 LYS A 38 2.501 6.367 6.693 1.00 13.31 H new ATOM 0 HG3 LYS A 38 4.083 7.118 6.645 1.00 13.31 H new ATOM 0 HD2 LYS A 38 1.903 7.511 8.727 1.00 52.33 H new ATOM 0 HD3 LYS A 38 3.503 6.838 8.968 1.00 52.33 H new ATOM 0 HE2 LYS A 38 2.898 9.732 8.223 1.00 74.25 H new ATOM 0 HE3 LYS A 38 3.327 9.165 9.825 1.00 74.25 H new ATOM 0 HZ1 LYS A 38 5.046 9.999 7.856 1.00 73.13 H new ATOM 0 HZ2 LYS A 38 5.464 9.233 9.312 1.00 73.13 H new ATOM 0 HZ3 LYS A 38 5.247 8.314 7.901 1.00 73.13 H new ATOM 625 N LEU A 39 1.325 6.361 3.265 1.00 20.13 N ATOM 626 CA LEU A 39 0.183 5.614 2.713 1.00 40.21 C ATOM 627 C LEU A 39 0.290 4.092 2.947 1.00 71.05 C ATOM 628 O LEU A 39 1.342 3.570 3.323 1.00 11.51 O ATOM 629 CB LEU A 39 0.089 5.889 1.202 1.00 72.42 C ATOM 630 CG LEU A 39 0.193 7.371 0.791 1.00 63.12 C ATOM 631 CD1 LEU A 39 0.175 7.520 -0.727 1.00 63.15 C ATOM 632 CD2 LEU A 39 -0.928 8.193 1.426 1.00 3.22 C ATOM 0 H LEU A 39 2.217 6.158 2.813 1.00 20.13 H new ATOM 0 HA LEU A 39 -0.712 5.956 3.233 1.00 40.21 H new ATOM 0 HB2 LEU A 39 0.881 5.334 0.699 1.00 72.42 H new ATOM 0 HB3 LEU A 39 -0.859 5.494 0.836 1.00 72.42 H new ATOM 0 HG LEU A 39 1.146 7.753 1.158 1.00 63.12 H new ATOM 0 HD11 LEU A 39 0.250 8.575 -0.990 1.00 63.15 H new ATOM 0 HD12 LEU A 39 1.018 6.979 -1.156 1.00 63.15 H new ATOM 0 HD13 LEU A 39 -0.756 7.113 -1.122 1.00 63.15 H new ATOM 0 HD21 LEU A 39 -0.833 9.235 1.121 1.00 3.22 H new ATOM 0 HD22 LEU A 39 -1.893 7.806 1.099 1.00 3.22 H new ATOM 0 HD23 LEU A 39 -0.859 8.125 2.512 1.00 3.22 H new ATOM 644 N THR A 40 -0.821 3.389 2.725 1.00 14.24 N ATOM 645 CA THR A 40 -0.838 1.920 2.735 1.00 23.44 C ATOM 646 C THR A 40 -1.211 1.385 1.352 1.00 73.31 C ATOM 647 O THR A 40 -2.346 1.548 0.897 1.00 35.35 O ATOM 648 CB THR A 40 -1.829 1.346 3.780 1.00 22.22 C ATOM 649 OG1 THR A 40 -1.353 1.616 5.110 1.00 12.42 O ATOM 650 CG2 THR A 40 -2.019 -0.163 3.598 1.00 34.00 C ATOM 0 H THR A 40 -1.728 3.814 2.534 1.00 14.24 H new ATOM 0 HA THR A 40 0.167 1.598 3.008 1.00 23.44 H new ATOM 0 HB THR A 40 -2.793 1.833 3.630 1.00 22.22 H new ATOM 0 HG1 THR A 40 -1.985 1.252 5.764 1.00 12.42 H new ATOM 0 HG21 THR A 40 -2.719 -0.534 4.346 1.00 34.00 H new ATOM 0 HG22 THR A 40 -2.413 -0.363 2.601 1.00 34.00 H new ATOM 0 HG23 THR A 40 -1.060 -0.667 3.717 1.00 34.00 H new ATOM 658 N GLY A 41 -0.247 0.768 0.682 1.00 74.13 N ATOM 659 CA GLY A 41 -0.487 0.216 -0.640 1.00 35.04 C ATOM 660 C GLY A 41 -0.906 -1.244 -0.603 1.00 50.31 C ATOM 661 O GLY A 41 -0.345 -2.038 0.146 1.00 53.32 O ATOM 0 H GLY A 41 0.703 0.639 1.031 1.00 74.13 H new ATOM 0 HA2 GLY A 41 -1.263 0.799 -1.137 1.00 35.04 H new ATOM 0 HA3 GLY A 41 0.418 0.314 -1.239 1.00 35.04 H new ATOM 665 N PHE A 42 -1.889 -1.607 -1.412 1.00 34.34 N ATOM 666 CA PHE A 42 -2.354 -2.990 -1.462 1.00 0.25 C ATOM 667 C PHE A 42 -1.571 -3.792 -2.511 1.00 25.11 C ATOM 668 O PHE A 42 -1.527 -3.431 -3.685 1.00 3.23 O ATOM 669 CB PHE A 42 -3.863 -3.038 -1.724 1.00 11.42 C ATOM 670 CG PHE A 42 -4.675 -2.521 -0.560 1.00 63.21 C ATOM 671 CD1 PHE A 42 -4.826 -1.157 -0.346 1.00 20.02 C ATOM 672 CD2 PHE A 42 -5.278 -3.402 0.330 1.00 71.04 C ATOM 673 CE1 PHE A 42 -5.562 -0.685 0.727 1.00 31.04 C ATOM 674 CE2 PHE A 42 -6.012 -2.934 1.402 1.00 33.31 C ATOM 675 CZ PHE A 42 -6.157 -1.575 1.600 1.00 24.35 C ATOM 0 H PHE A 42 -2.379 -0.970 -2.040 1.00 34.34 H new ATOM 0 HA PHE A 42 -2.169 -3.455 -0.493 1.00 0.25 H new ATOM 0 HB2 PHE A 42 -4.092 -2.448 -2.612 1.00 11.42 H new ATOM 0 HB3 PHE A 42 -4.158 -4.065 -1.939 1.00 11.42 H new ATOM 0 HD1 PHE A 42 -4.363 -0.456 -1.025 1.00 20.02 H new ATOM 0 HD2 PHE A 42 -5.171 -4.466 0.181 1.00 71.04 H new ATOM 0 HE1 PHE A 42 -5.671 0.378 0.882 1.00 31.04 H new ATOM 0 HE2 PHE A 42 -6.473 -3.631 2.086 1.00 33.31 H new ATOM 0 HZ PHE A 42 -6.735 -1.209 2.436 1.00 24.35 H new ATOM 685 N ASP A 43 -0.960 -4.884 -2.059 1.00 51.31 N ATOM 686 CA ASP A 43 -0.004 -5.653 -2.861 1.00 71.55 C ATOM 687 C ASP A 43 -0.676 -6.377 -4.046 1.00 72.24 C ATOM 688 O ASP A 43 -1.902 -6.458 -4.132 1.00 44.44 O ATOM 689 CB ASP A 43 0.713 -6.655 -1.943 1.00 20.01 C ATOM 690 CG ASP A 43 1.783 -7.456 -2.660 1.00 44.43 C ATOM 691 OD1 ASP A 43 2.919 -6.961 -2.791 1.00 22.45 O ATOM 692 OD2 ASP A 43 1.483 -8.576 -3.119 1.00 52.21 O ATOM 0 H ASP A 43 -1.112 -5.264 -1.125 1.00 51.31 H new ATOM 0 HA ASP A 43 0.716 -4.961 -3.298 1.00 71.55 H new ATOM 0 HB2 ASP A 43 1.167 -6.117 -1.111 1.00 20.01 H new ATOM 0 HB3 ASP A 43 -0.021 -7.339 -1.518 1.00 20.01 H new ATOM 697 N LYS A 44 0.150 -6.918 -4.947 1.00 24.53 N ATOM 698 CA LYS A 44 -0.332 -7.613 -6.149 1.00 64.24 C ATOM 699 C LYS A 44 -1.229 -8.812 -5.789 1.00 61.13 C ATOM 700 O LYS A 44 -2.053 -9.247 -6.598 1.00 60.23 O ATOM 701 CB LYS A 44 0.850 -8.104 -7.011 1.00 43.40 C ATOM 702 CG LYS A 44 1.848 -7.013 -7.428 1.00 32.20 C ATOM 703 CD LYS A 44 2.872 -6.708 -6.331 1.00 65.45 C ATOM 704 CE LYS A 44 3.717 -7.934 -5.985 1.00 65.41 C ATOM 705 NZ LYS A 44 4.654 -7.678 -4.857 1.00 41.44 N ATOM 0 H LYS A 44 1.166 -6.888 -4.866 1.00 24.53 H new ATOM 0 HA LYS A 44 -0.922 -6.894 -6.717 1.00 64.24 H new ATOM 0 HB2 LYS A 44 1.387 -8.875 -6.458 1.00 43.40 H new ATOM 0 HB3 LYS A 44 0.453 -8.575 -7.910 1.00 43.40 H new ATOM 0 HG2 LYS A 44 2.370 -7.328 -8.331 1.00 32.20 H new ATOM 0 HG3 LYS A 44 1.303 -6.102 -7.676 1.00 32.20 H new ATOM 0 HD2 LYS A 44 3.524 -5.898 -6.658 1.00 65.45 H new ATOM 0 HD3 LYS A 44 2.354 -6.360 -5.437 1.00 65.45 H new ATOM 0 HE2 LYS A 44 3.059 -8.764 -5.726 1.00 65.41 H new ATOM 0 HE3 LYS A 44 4.285 -8.240 -6.863 1.00 65.41 H new ATOM 0 HZ1 LYS A 44 5.080 -8.575 -4.549 1.00 41.44 H new ATOM 0 HZ2 LYS A 44 5.404 -7.028 -5.169 1.00 41.44 H new ATOM 0 HZ3 LYS A 44 4.134 -7.251 -4.064 1.00 41.44 H new ATOM 719 N ASP A 45 -1.043 -9.367 -4.592 1.00 60.14 N ATOM 720 CA ASP A 45 -1.889 -10.467 -4.111 1.00 44.53 C ATOM 721 C ASP A 45 -3.091 -9.955 -3.295 1.00 53.12 C ATOM 722 O ASP A 45 -4.023 -10.706 -3.005 1.00 54.02 O ATOM 723 CB ASP A 45 -1.055 -11.437 -3.267 1.00 20.22 C ATOM 724 CG ASP A 45 0.095 -12.046 -4.053 1.00 42.51 C ATOM 725 OD1 ASP A 45 -0.145 -12.556 -5.170 1.00 3.25 O ATOM 726 OD2 ASP A 45 1.240 -12.033 -3.554 1.00 42.21 O ATOM 0 H ASP A 45 -0.317 -9.077 -3.937 1.00 60.14 H new ATOM 0 HA ASP A 45 -2.283 -10.987 -4.984 1.00 44.53 H new ATOM 0 HB2 ASP A 45 -0.660 -10.911 -2.398 1.00 20.22 H new ATOM 0 HB3 ASP A 45 -1.698 -12.234 -2.892 1.00 20.22 H new ATOM 731 N GLY A 46 -3.075 -8.669 -2.952 1.00 44.40 N ATOM 732 CA GLY A 46 -4.143 -8.085 -2.140 1.00 35.12 C ATOM 733 C GLY A 46 -3.767 -7.933 -0.666 1.00 33.42 C ATOM 734 O GLY A 46 -4.633 -7.976 0.211 1.00 24.24 O ATOM 0 H GLY A 46 -2.340 -8.014 -3.221 1.00 44.40 H new ATOM 0 HA2 GLY A 46 -4.404 -7.107 -2.544 1.00 35.12 H new ATOM 0 HA3 GLY A 46 -5.033 -8.710 -2.218 1.00 35.12 H new ATOM 738 N LYS A 47 -2.474 -7.757 -0.392 1.00 14.43 N ATOM 739 CA LYS A 47 -1.971 -7.600 0.983 1.00 2.22 C ATOM 740 C LYS A 47 -1.811 -6.114 1.350 1.00 34.42 C ATOM 741 O LYS A 47 -2.054 -5.238 0.526 1.00 55.33 O ATOM 742 CB LYS A 47 -0.615 -8.308 1.117 1.00 24.40 C ATOM 743 CG LYS A 47 -0.627 -9.759 0.655 1.00 31.33 C ATOM 744 CD LYS A 47 0.776 -10.358 0.668 1.00 2.22 C ATOM 745 CE LYS A 47 0.794 -11.785 0.137 1.00 53.34 C ATOM 746 NZ LYS A 47 2.175 -12.335 0.084 1.00 32.33 N ATOM 0 H LYS A 47 -1.747 -7.719 -1.107 1.00 14.43 H new ATOM 0 HA LYS A 47 -2.695 -8.046 1.665 1.00 2.22 H new ATOM 0 HB2 LYS A 47 0.129 -7.759 0.539 1.00 24.40 H new ATOM 0 HB3 LYS A 47 -0.299 -8.272 2.160 1.00 24.40 H new ATOM 0 HG2 LYS A 47 -1.280 -10.344 1.303 1.00 31.33 H new ATOM 0 HG3 LYS A 47 -1.041 -9.819 -0.352 1.00 31.33 H new ATOM 0 HD2 LYS A 47 1.440 -9.739 0.065 1.00 2.22 H new ATOM 0 HD3 LYS A 47 1.166 -10.345 1.686 1.00 2.22 H new ATOM 0 HE2 LYS A 47 0.175 -12.418 0.773 1.00 53.34 H new ATOM 0 HE3 LYS A 47 0.355 -11.808 -0.860 1.00 53.34 H new ATOM 0 HZ1 LYS A 47 2.147 -13.308 -0.282 1.00 32.33 H new ATOM 0 HZ2 LYS A 47 2.760 -11.746 -0.542 1.00 32.33 H new ATOM 0 HZ3 LYS A 47 2.585 -12.337 1.040 1.00 32.33 H new ATOM 760 N GLU A 48 -1.394 -5.837 2.584 1.00 24.02 N ATOM 761 CA GLU A 48 -1.110 -4.459 3.014 1.00 43.55 C ATOM 762 C GLU A 48 0.401 -4.191 3.030 1.00 63.00 C ATOM 763 O GLU A 48 1.158 -4.888 3.708 1.00 33.15 O ATOM 764 CB GLU A 48 -1.696 -4.199 4.408 1.00 61.13 C ATOM 765 CG GLU A 48 -3.220 -4.222 4.461 1.00 54.53 C ATOM 766 CD GLU A 48 -3.758 -3.921 5.851 1.00 63.23 C ATOM 767 OE1 GLU A 48 -3.897 -2.729 6.197 1.00 52.43 O ATOM 768 OE2 GLU A 48 -4.023 -4.876 6.614 1.00 3.12 O ATOM 0 H GLU A 48 -1.244 -6.542 3.305 1.00 24.02 H new ATOM 0 HA GLU A 48 -1.578 -3.783 2.299 1.00 43.55 H new ATOM 0 HB2 GLU A 48 -1.309 -4.949 5.098 1.00 61.13 H new ATOM 0 HB3 GLU A 48 -1.346 -3.229 4.762 1.00 61.13 H new ATOM 0 HG2 GLU A 48 -3.616 -3.492 3.755 1.00 54.53 H new ATOM 0 HG3 GLU A 48 -3.577 -5.201 4.141 1.00 54.53 H new ATOM 775 N LYS A 49 0.831 -3.180 2.286 1.00 32.12 N ATOM 776 CA LYS A 49 2.250 -2.818 2.199 1.00 42.12 C ATOM 777 C LYS A 49 2.443 -1.335 2.578 1.00 60.50 C ATOM 778 O LYS A 49 1.628 -0.481 2.227 1.00 43.23 O ATOM 779 CB LYS A 49 2.773 -3.104 0.774 1.00 63.51 C ATOM 780 CG LYS A 49 4.249 -3.513 0.703 1.00 61.50 C ATOM 781 CD LYS A 49 5.201 -2.356 0.996 1.00 32.44 C ATOM 782 CE LYS A 49 6.649 -2.828 1.086 1.00 63.34 C ATOM 783 NZ LYS A 49 6.852 -3.810 2.182 1.00 4.44 N ATOM 0 H LYS A 49 0.216 -2.588 1.728 1.00 32.12 H new ATOM 0 HA LYS A 49 2.824 -3.421 2.903 1.00 42.12 H new ATOM 0 HB2 LYS A 49 2.169 -3.896 0.332 1.00 63.51 H new ATOM 0 HB3 LYS A 49 2.627 -2.213 0.163 1.00 63.51 H new ATOM 0 HG2 LYS A 49 4.433 -4.317 1.415 1.00 61.50 H new ATOM 0 HG3 LYS A 49 4.463 -3.911 -0.289 1.00 61.50 H new ATOM 0 HD2 LYS A 49 5.111 -1.603 0.213 1.00 32.44 H new ATOM 0 HD3 LYS A 49 4.915 -1.877 1.933 1.00 32.44 H new ATOM 0 HE2 LYS A 49 6.942 -3.279 0.138 1.00 63.34 H new ATOM 0 HE3 LYS A 49 7.300 -1.969 1.245 1.00 63.34 H new ATOM 0 HZ1 LYS A 49 7.861 -3.848 2.431 1.00 4.44 H new ATOM 0 HZ2 LYS A 49 6.300 -3.520 3.014 1.00 4.44 H new ATOM 0 HZ3 LYS A 49 6.537 -4.750 1.868 1.00 4.44 H new ATOM 797 N GLU A 50 3.517 -1.045 3.301 1.00 72.55 N ATOM 798 CA GLU A 50 3.791 0.312 3.794 1.00 32.20 C ATOM 799 C GLU A 50 4.506 1.174 2.733 1.00 52.24 C ATOM 800 O GLU A 50 5.589 0.824 2.260 1.00 42.33 O ATOM 801 CB GLU A 50 4.647 0.262 5.081 1.00 2.52 C ATOM 802 CG GLU A 50 4.642 -1.084 5.814 1.00 12.43 C ATOM 803 CD GLU A 50 5.674 -2.063 5.260 1.00 0.21 C ATOM 804 OE1 GLU A 50 6.851 -1.982 5.667 1.00 73.43 O ATOM 805 OE2 GLU A 50 5.324 -2.908 4.411 1.00 43.31 O ATOM 0 H GLU A 50 4.222 -1.733 3.564 1.00 72.55 H new ATOM 0 HA GLU A 50 2.828 0.772 4.015 1.00 32.20 H new ATOM 0 HB2 GLU A 50 5.676 0.514 4.824 1.00 2.52 H new ATOM 0 HB3 GLU A 50 4.291 1.032 5.765 1.00 2.52 H new ATOM 0 HG2 GLU A 50 4.839 -0.917 6.873 1.00 12.43 H new ATOM 0 HG3 GLU A 50 3.650 -1.529 5.740 1.00 12.43 H new ATOM 812 N LEU A 51 3.894 2.302 2.365 1.00 11.33 N ATOM 813 CA LEU A 51 4.498 3.253 1.417 1.00 2.32 C ATOM 814 C LEU A 51 4.606 4.655 2.037 1.00 65.34 C ATOM 815 O LEU A 51 3.721 5.089 2.773 1.00 2.13 O ATOM 816 CB LEU A 51 3.680 3.338 0.108 1.00 22.34 C ATOM 817 CG LEU A 51 3.781 2.135 -0.855 1.00 1.01 C ATOM 818 CD1 LEU A 51 5.237 1.825 -1.190 1.00 24.32 C ATOM 819 CD2 LEU A 51 3.078 0.908 -0.283 1.00 21.11 C ATOM 0 H LEU A 51 2.976 2.584 2.709 1.00 11.33 H new ATOM 0 HA LEU A 51 5.497 2.883 1.186 1.00 2.32 H new ATOM 0 HB2 LEU A 51 2.631 3.476 0.371 1.00 22.34 H new ATOM 0 HB3 LEU A 51 3.993 4.232 -0.431 1.00 22.34 H new ATOM 0 HG LEU A 51 3.273 2.406 -1.780 1.00 1.01 H new ATOM 0 HD11 LEU A 51 5.281 0.974 -1.870 1.00 24.32 H new ATOM 0 HD12 LEU A 51 5.694 2.693 -1.666 1.00 24.32 H new ATOM 0 HD13 LEU A 51 5.778 1.586 -0.274 1.00 24.32 H new ATOM 0 HD21 LEU A 51 3.167 0.078 -0.984 1.00 21.11 H new ATOM 0 HD22 LEU A 51 3.540 0.633 0.665 1.00 21.11 H new ATOM 0 HD23 LEU A 51 2.024 1.135 -0.121 1.00 21.11 H new ATOM 831 N GLU A 52 5.691 5.360 1.729 1.00 22.20 N ATOM 832 CA GLU A 52 5.887 6.732 2.209 1.00 13.43 C ATOM 833 C GLU A 52 6.852 7.507 1.299 1.00 74.11 C ATOM 834 O GLU A 52 7.971 7.057 1.036 1.00 23.42 O ATOM 835 CB GLU A 52 6.425 6.724 3.646 1.00 72.04 C ATOM 836 CG GLU A 52 6.601 8.118 4.246 1.00 41.10 C ATOM 837 CD GLU A 52 7.162 8.084 5.659 1.00 32.54 C ATOM 838 OE1 GLU A 52 6.370 7.962 6.614 1.00 73.21 O ATOM 839 OE2 GLU A 52 8.398 8.177 5.821 1.00 23.22 O ATOM 0 H GLU A 52 6.451 5.006 1.148 1.00 22.20 H new ATOM 0 HA GLU A 52 4.919 7.232 2.190 1.00 13.43 H new ATOM 0 HB2 GLU A 52 5.744 6.151 4.276 1.00 72.04 H new ATOM 0 HB3 GLU A 52 7.385 6.208 3.662 1.00 72.04 H new ATOM 0 HG2 GLU A 52 7.266 8.701 3.610 1.00 41.10 H new ATOM 0 HG3 GLU A 52 5.638 8.629 4.254 1.00 41.10 H new ATOM 846 N PHE A 53 6.410 8.664 0.816 1.00 3.24 N ATOM 847 CA PHE A 53 7.253 9.522 -0.027 1.00 11.10 C ATOM 848 C PHE A 53 6.941 11.012 0.188 1.00 50.30 C ATOM 849 O PHE A 53 5.797 11.395 0.452 1.00 10.53 O ATOM 850 CB PHE A 53 7.087 9.153 -1.512 1.00 42.41 C ATOM 851 CG PHE A 53 5.689 9.348 -2.049 1.00 61.24 C ATOM 852 CD1 PHE A 53 4.716 8.378 -1.858 1.00 51.02 C ATOM 853 CD2 PHE A 53 5.350 10.500 -2.751 1.00 42.43 C ATOM 854 CE1 PHE A 53 3.438 8.550 -2.351 1.00 42.14 C ATOM 855 CE2 PHE A 53 4.072 10.677 -3.245 1.00 3.43 C ATOM 856 CZ PHE A 53 3.116 9.702 -3.044 1.00 52.12 C ATOM 0 H PHE A 53 5.475 9.033 0.990 1.00 3.24 H new ATOM 0 HA PHE A 53 8.289 9.352 0.267 1.00 11.10 H new ATOM 0 HB2 PHE A 53 7.778 9.754 -2.103 1.00 42.41 H new ATOM 0 HB3 PHE A 53 7.374 8.111 -1.649 1.00 42.41 H new ATOM 0 HD1 PHE A 53 4.961 7.476 -1.317 1.00 51.02 H new ATOM 0 HD2 PHE A 53 6.095 11.265 -2.912 1.00 42.43 H new ATOM 0 HE1 PHE A 53 2.691 7.786 -2.196 1.00 42.14 H new ATOM 0 HE2 PHE A 53 3.821 11.577 -3.787 1.00 3.43 H new ATOM 0 HZ PHE A 53 2.116 9.839 -3.428 1.00 52.12 H new ATOM 866 N THR A 54 7.971 11.846 0.076 1.00 34.31 N ATOM 867 CA THR A 54 7.817 13.300 0.218 1.00 61.01 C ATOM 868 C THR A 54 7.605 13.979 -1.142 1.00 75.21 C ATOM 869 O THR A 54 8.476 13.937 -2.009 1.00 15.30 O ATOM 870 CB THR A 54 9.048 13.938 0.904 1.00 50.32 C ATOM 871 OG1 THR A 54 10.240 13.645 0.154 1.00 2.52 O ATOM 872 CG2 THR A 54 9.205 13.432 2.338 1.00 0.45 C ATOM 0 H THR A 54 8.927 11.543 -0.113 1.00 34.31 H new ATOM 0 HA THR A 54 6.936 13.456 0.841 1.00 61.01 H new ATOM 0 HB THR A 54 8.894 15.017 0.935 1.00 50.32 H new ATOM 0 HG1 THR A 54 10.036 13.663 -0.804 1.00 2.52 H new ATOM 0 HG21 THR A 54 10.078 13.898 2.795 1.00 0.45 H new ATOM 0 HG22 THR A 54 8.315 13.687 2.913 1.00 0.45 H new ATOM 0 HG23 THR A 54 9.334 12.350 2.330 1.00 0.45 H new ATOM 880 N ALA A 55 6.445 14.604 -1.316 1.00 70.11 N ATOM 881 CA ALA A 55 6.108 15.302 -2.562 1.00 13.43 C ATOM 882 C ALA A 55 6.371 16.810 -2.452 1.00 12.11 C ATOM 883 O ALA A 55 6.069 17.433 -1.432 1.00 65.41 O ATOM 884 CB ALA A 55 4.650 15.046 -2.923 1.00 62.24 C ATOM 0 H ALA A 55 5.714 14.644 -0.606 1.00 70.11 H new ATOM 0 HA ALA A 55 6.750 14.911 -3.351 1.00 13.43 H new ATOM 0 HB1 ALA A 55 4.407 15.567 -3.849 1.00 62.24 H new ATOM 0 HB2 ALA A 55 4.491 13.976 -3.057 1.00 62.24 H new ATOM 0 HB3 ALA A 55 4.007 15.411 -2.122 1.00 62.24 H new ATOM 890 N GLN A 56 6.940 17.387 -3.508 1.00 62.42 N ATOM 891 CA GLN A 56 7.201 18.834 -3.567 1.00 50.30 C ATOM 892 C GLN A 56 5.892 19.630 -3.684 1.00 23.41 C ATOM 893 O GLN A 56 5.839 20.823 -3.373 1.00 62.41 O ATOM 894 CB GLN A 56 8.131 19.176 -4.752 1.00 75.34 C ATOM 895 CG GLN A 56 7.452 19.271 -6.132 1.00 20.13 C ATOM 896 CD GLN A 56 6.973 17.939 -6.709 1.00 4.12 C ATOM 897 OE1 GLN A 56 6.592 17.026 -5.990 1.00 24.13 O ATOM 898 NE2 GLN A 56 6.993 17.820 -8.022 1.00 42.02 N ATOM 0 H GLN A 56 7.233 16.877 -4.341 1.00 62.42 H new ATOM 0 HA GLN A 56 7.695 19.116 -2.637 1.00 50.30 H new ATOM 0 HB2 GLN A 56 8.620 20.127 -4.543 1.00 75.34 H new ATOM 0 HB3 GLN A 56 8.914 18.420 -4.805 1.00 75.34 H new ATOM 0 HG2 GLN A 56 6.598 19.944 -6.055 1.00 20.13 H new ATOM 0 HG3 GLN A 56 8.152 19.723 -6.834 1.00 20.13 H new ATOM 0 HE21 GLN A 56 7.315 18.596 -8.600 1.00 42.02 H new ATOM 0 HE22 GLN A 56 6.686 16.952 -8.460 1.00 42.02 H new ATOM 907 N LYS A 57 4.845 18.957 -4.150 1.00 35.40 N ATOM 908 CA LYS A 57 3.525 19.563 -4.333 1.00 10.23 C ATOM 909 C LYS A 57 2.441 18.720 -3.649 1.00 40.00 C ATOM 910 O LYS A 57 2.512 17.491 -3.648 1.00 10.35 O ATOM 911 CB LYS A 57 3.212 19.679 -5.834 1.00 11.33 C ATOM 912 CG LYS A 57 1.811 20.202 -6.142 1.00 63.11 C ATOM 913 CD LYS A 57 1.469 20.069 -7.626 1.00 54.24 C ATOM 914 CE LYS A 57 0.028 20.476 -7.912 1.00 63.44 C ATOM 915 NZ LYS A 57 -0.334 20.270 -9.340 1.00 14.41 N ATOM 0 H LYS A 57 4.885 17.972 -4.413 1.00 35.40 H new ATOM 0 HA LYS A 57 3.534 20.555 -3.880 1.00 10.23 H new ATOM 0 HB2 LYS A 57 3.945 20.341 -6.296 1.00 11.33 H new ATOM 0 HB3 LYS A 57 3.331 18.699 -6.296 1.00 11.33 H new ATOM 0 HG2 LYS A 57 1.079 19.652 -5.550 1.00 63.11 H new ATOM 0 HG3 LYS A 57 1.740 21.248 -5.845 1.00 63.11 H new ATOM 0 HD2 LYS A 57 2.146 20.691 -8.212 1.00 54.24 H new ATOM 0 HD3 LYS A 57 1.626 19.038 -7.945 1.00 54.24 H new ATOM 0 HE2 LYS A 57 -0.645 19.897 -7.280 1.00 63.44 H new ATOM 0 HE3 LYS A 57 -0.112 21.525 -7.650 1.00 63.44 H new ATOM 0 HZ1 LYS A 57 -1.321 20.559 -9.493 1.00 14.41 H new ATOM 0 HZ2 LYS A 57 0.291 20.842 -9.943 1.00 14.41 H new ATOM 0 HZ3 LYS A 57 -0.225 19.265 -9.584 1.00 14.41 H new ATOM 929 N ASN A 58 1.442 19.383 -3.068 1.00 62.24 N ATOM 930 CA ASN A 58 0.298 18.678 -2.485 1.00 33.12 C ATOM 931 C ASN A 58 -0.668 18.224 -3.592 1.00 41.35 C ATOM 932 O ASN A 58 -1.348 19.045 -4.216 1.00 35.52 O ATOM 933 CB ASN A 58 -0.430 19.574 -1.476 1.00 63.41 C ATOM 934 CG ASN A 58 -1.566 18.847 -0.779 1.00 35.40 C ATOM 935 OD1 ASN A 58 -1.389 18.256 0.281 1.00 61.13 O ATOM 936 ND2 ASN A 58 -2.738 18.864 -1.382 1.00 31.55 N ATOM 0 H ASN A 58 1.400 20.399 -2.988 1.00 62.24 H new ATOM 0 HA ASN A 58 0.666 17.797 -1.959 1.00 33.12 H new ATOM 0 HB2 ASN A 58 0.281 19.932 -0.731 1.00 63.41 H new ATOM 0 HB3 ASN A 58 -0.823 20.452 -1.989 1.00 63.41 H new ATOM 0 HD21 ASN A 58 -3.532 18.376 -0.968 1.00 31.55 H new ATOM 0 HD22 ASN A 58 -2.851 19.365 -2.263 1.00 31.55 H new ATOM 943 N LEU A 59 -0.713 16.917 -3.827 1.00 11.23 N ATOM 944 CA LEU A 59 -1.548 16.336 -4.885 1.00 40.42 C ATOM 945 C LEU A 59 -3.052 16.481 -4.579 1.00 43.31 C ATOM 946 O LEU A 59 -3.447 16.833 -3.464 1.00 71.33 O ATOM 947 CB LEU A 59 -1.192 14.852 -5.074 1.00 15.04 C ATOM 948 CG LEU A 59 0.313 14.552 -5.233 1.00 1.04 C ATOM 949 CD1 LEU A 59 0.556 13.058 -5.415 1.00 15.13 C ATOM 950 CD2 LEU A 59 0.913 15.338 -6.400 1.00 34.14 C ATOM 0 H LEU A 59 -0.177 16.230 -3.296 1.00 11.23 H new ATOM 0 HA LEU A 59 -1.346 16.885 -5.805 1.00 40.42 H new ATOM 0 HB2 LEU A 59 -1.569 14.293 -4.218 1.00 15.04 H new ATOM 0 HB3 LEU A 59 -1.715 14.479 -5.954 1.00 15.04 H new ATOM 0 HG LEU A 59 0.811 14.871 -4.317 1.00 1.04 H new ATOM 0 HD11 LEU A 59 1.625 12.874 -5.525 1.00 15.13 H new ATOM 0 HD12 LEU A 59 0.183 12.520 -4.544 1.00 15.13 H new ATOM 0 HD13 LEU A 59 0.035 12.711 -6.307 1.00 15.13 H new ATOM 0 HD21 LEU A 59 1.974 15.106 -6.487 1.00 34.14 H new ATOM 0 HD22 LEU A 59 0.404 15.063 -7.324 1.00 34.14 H new ATOM 0 HD23 LEU A 59 0.788 16.406 -6.222 1.00 34.14 H new ATOM 962 N ARG A 60 -3.890 16.200 -5.577 1.00 51.11 N ATOM 963 CA ARG A 60 -5.344 16.331 -5.424 1.00 15.24 C ATOM 964 C ARG A 60 -5.953 15.189 -4.592 1.00 62.13 C ATOM 965 O ARG A 60 -5.680 14.011 -4.819 1.00 60.21 O ATOM 966 CB ARG A 60 -6.025 16.427 -6.798 1.00 10.21 C ATOM 967 CG ARG A 60 -5.871 17.801 -7.441 1.00 10.01 C ATOM 968 CD ARG A 60 -6.530 17.871 -8.813 1.00 41.14 C ATOM 969 NE ARG A 60 -6.730 19.253 -9.248 1.00 53.11 N ATOM 970 CZ ARG A 60 -6.522 19.690 -10.459 1.00 63.03 C ATOM 971 NH1 ARG A 60 -6.019 18.920 -11.369 1.00 54.53 N ATOM 972 NH2 ARG A 60 -6.798 20.914 -10.755 1.00 71.41 N ATOM 0 H ARG A 60 -3.591 15.881 -6.498 1.00 51.11 H new ATOM 0 HA ARG A 60 -5.526 17.255 -4.874 1.00 15.24 H new ATOM 0 HB2 ARG A 60 -5.603 15.672 -7.461 1.00 10.21 H new ATOM 0 HB3 ARG A 60 -7.085 16.199 -6.689 1.00 10.21 H new ATOM 0 HG2 ARG A 60 -6.310 18.556 -6.790 1.00 10.01 H new ATOM 0 HG3 ARG A 60 -4.812 18.039 -7.536 1.00 10.01 H new ATOM 0 HD2 ARG A 60 -5.911 17.346 -9.541 1.00 41.14 H new ATOM 0 HD3 ARG A 60 -7.491 17.357 -8.782 1.00 41.14 H new ATOM 0 HE ARG A 60 -7.056 19.925 -8.553 1.00 53.11 H new ATOM 0 HH11 ARG A 60 -5.778 17.955 -11.144 1.00 54.53 H new ATOM 0 HH12 ARG A 60 -5.863 19.278 -12.311 1.00 54.53 H new ATOM 0 HH21 ARG A 60 -7.178 21.538 -10.043 1.00 71.41 H new ATOM 0 HH22 ARG A 60 -6.636 21.259 -11.701 1.00 71.41 H new ATOM 986 N LYS A 61 -6.789 15.565 -3.628 1.00 42.11 N ATOM 987 CA LYS A 61 -7.421 14.612 -2.702 1.00 42.31 C ATOM 988 C LYS A 61 -8.612 13.864 -3.341 1.00 73.23 C ATOM 989 O LYS A 61 -9.224 14.346 -4.296 1.00 20.24 O ATOM 990 CB LYS A 61 -7.861 15.354 -1.426 1.00 40.23 C ATOM 991 CG LYS A 61 -8.680 16.615 -1.696 1.00 54.41 C ATOM 992 CD LYS A 61 -8.892 17.447 -0.432 1.00 42.45 C ATOM 993 CE LYS A 61 -9.543 18.790 -0.747 1.00 35.42 C ATOM 994 NZ LYS A 61 -9.732 19.622 0.469 1.00 11.31 N ATOM 0 H LYS A 61 -7.051 16.537 -3.462 1.00 42.11 H new ATOM 0 HA LYS A 61 -6.682 13.852 -2.449 1.00 42.31 H new ATOM 0 HB2 LYS A 61 -8.449 14.676 -0.807 1.00 40.23 H new ATOM 0 HB3 LYS A 61 -6.976 15.624 -0.850 1.00 40.23 H new ATOM 0 HG2 LYS A 61 -8.174 17.221 -2.447 1.00 54.41 H new ATOM 0 HG3 LYS A 61 -9.648 16.335 -2.112 1.00 54.41 H new ATOM 0 HD2 LYS A 61 -9.518 16.894 0.268 1.00 42.45 H new ATOM 0 HD3 LYS A 61 -7.934 17.613 0.060 1.00 42.45 H new ATOM 0 HE2 LYS A 61 -8.925 19.332 -1.463 1.00 35.42 H new ATOM 0 HE3 LYS A 61 -10.509 18.621 -1.223 1.00 35.42 H new ATOM 0 HZ1 LYS A 61 -10.177 20.524 0.206 1.00 11.31 H new ATOM 0 HZ2 LYS A 61 -10.343 19.118 1.143 1.00 11.31 H new ATOM 0 HZ3 LYS A 61 -8.808 19.807 0.910 1.00 11.31 H new ATOM 1008 N GLU A 62 -8.917 12.680 -2.786 1.00 24.42 N ATOM 1009 CA GLU A 62 -9.973 11.777 -3.296 1.00 71.23 C ATOM 1010 C GLU A 62 -9.545 11.072 -4.606 1.00 70.54 C ATOM 1011 O GLU A 62 -10.314 10.308 -5.202 1.00 23.35 O ATOM 1012 CB GLU A 62 -11.315 12.519 -3.486 1.00 11.35 C ATOM 1013 CG GLU A 62 -12.495 11.587 -3.767 1.00 5.33 C ATOM 1014 CD GLU A 62 -13.814 12.316 -3.979 1.00 20.11 C ATOM 1015 OE1 GLU A 62 -13.998 12.915 -5.060 1.00 73.22 O ATOM 1016 OE2 GLU A 62 -14.688 12.262 -3.088 1.00 41.33 O ATOM 0 H GLU A 62 -8.436 12.315 -1.964 1.00 24.42 H new ATOM 0 HA GLU A 62 -10.120 11.007 -2.539 1.00 71.23 H new ATOM 0 HB2 GLU A 62 -11.528 13.102 -2.590 1.00 11.35 H new ATOM 0 HB3 GLU A 62 -11.217 13.226 -4.310 1.00 11.35 H new ATOM 0 HG2 GLU A 62 -12.273 10.991 -4.652 1.00 5.33 H new ATOM 0 HG3 GLU A 62 -12.604 10.892 -2.934 1.00 5.33 H new ATOM 1023 N ALA A 63 -8.308 11.305 -5.040 1.00 44.23 N ATOM 1024 CA ALA A 63 -7.771 10.661 -6.245 1.00 71.31 C ATOM 1025 C ALA A 63 -7.047 9.347 -5.908 1.00 63.04 C ATOM 1026 O ALA A 63 -6.430 9.218 -4.849 1.00 42.44 O ATOM 1027 CB ALA A 63 -6.828 11.616 -6.973 1.00 23.43 C ATOM 0 H ALA A 63 -7.654 11.936 -4.576 1.00 44.23 H new ATOM 0 HA ALA A 63 -8.609 10.418 -6.898 1.00 71.31 H new ATOM 0 HB1 ALA A 63 -6.435 11.129 -7.865 1.00 23.43 H new ATOM 0 HB2 ALA A 63 -7.372 12.516 -7.260 1.00 23.43 H new ATOM 0 HB3 ALA A 63 -6.003 11.886 -6.314 1.00 23.43 H new ATOM 1033 N PHE A 64 -7.135 8.372 -6.811 1.00 4.24 N ATOM 1034 CA PHE A 64 -6.446 7.088 -6.633 1.00 64.41 C ATOM 1035 C PHE A 64 -5.002 7.173 -7.135 1.00 22.41 C ATOM 1036 O PHE A 64 -4.744 7.228 -8.339 1.00 0.25 O ATOM 1037 CB PHE A 64 -7.198 5.961 -7.352 1.00 10.05 C ATOM 1038 CG PHE A 64 -8.488 5.578 -6.671 1.00 1.41 C ATOM 1039 CD1 PHE A 64 -9.671 6.245 -6.957 1.00 72.41 C ATOM 1040 CD2 PHE A 64 -8.515 4.549 -5.735 1.00 24.11 C ATOM 1041 CE1 PHE A 64 -10.850 5.894 -6.326 1.00 40.30 C ATOM 1042 CE2 PHE A 64 -9.693 4.197 -5.103 1.00 70.50 C ATOM 1043 CZ PHE A 64 -10.861 4.870 -5.399 1.00 41.31 C ATOM 0 H PHE A 64 -7.675 8.443 -7.673 1.00 4.24 H new ATOM 0 HA PHE A 64 -6.427 6.861 -5.567 1.00 64.41 H new ATOM 0 HB2 PHE A 64 -7.413 6.271 -8.375 1.00 10.05 H new ATOM 0 HB3 PHE A 64 -6.553 5.084 -7.414 1.00 10.05 H new ATOM 0 HD1 PHE A 64 -9.671 7.047 -7.680 1.00 72.41 H new ATOM 0 HD2 PHE A 64 -7.604 4.019 -5.499 1.00 24.11 H new ATOM 0 HE1 PHE A 64 -11.764 6.421 -6.558 1.00 40.30 H new ATOM 0 HE2 PHE A 64 -9.699 3.396 -4.378 1.00 70.50 H new ATOM 0 HZ PHE A 64 -11.782 4.596 -4.906 1.00 41.31 H new ATOM 1053 N LEU A 65 -4.066 7.179 -6.201 1.00 71.41 N ATOM 1054 CA LEU A 65 -2.652 7.377 -6.514 1.00 44.24 C ATOM 1055 C LEU A 65 -1.946 6.029 -6.780 1.00 13.12 C ATOM 1056 O LEU A 65 -1.848 5.180 -5.894 1.00 51.43 O ATOM 1057 CB LEU A 65 -1.980 8.121 -5.344 1.00 55.43 C ATOM 1058 CG LEU A 65 -0.816 9.065 -5.706 1.00 61.22 C ATOM 1059 CD1 LEU A 65 -0.268 9.737 -4.449 1.00 41.31 C ATOM 1060 CD2 LEU A 65 0.294 8.327 -6.450 1.00 42.43 C ATOM 0 H LEU A 65 -4.258 7.048 -5.208 1.00 71.41 H new ATOM 0 HA LEU A 65 -2.568 7.973 -7.423 1.00 44.24 H new ATOM 0 HB2 LEU A 65 -2.743 8.703 -4.827 1.00 55.43 H new ATOM 0 HB3 LEU A 65 -1.610 7.380 -4.636 1.00 55.43 H new ATOM 0 HG LEU A 65 -1.204 9.833 -6.375 1.00 61.22 H new ATOM 0 HD11 LEU A 65 0.553 10.401 -4.720 1.00 41.31 H new ATOM 0 HD12 LEU A 65 -1.059 10.315 -3.971 1.00 41.31 H new ATOM 0 HD13 LEU A 65 0.093 8.976 -3.758 1.00 41.31 H new ATOM 0 HD21 LEU A 65 1.097 9.024 -6.689 1.00 42.43 H new ATOM 0 HD22 LEU A 65 0.683 7.526 -5.821 1.00 42.43 H new ATOM 0 HD23 LEU A 65 -0.105 7.903 -7.372 1.00 42.43 H new ATOM 1072 N ARG A 66 -1.469 5.835 -8.006 1.00 45.14 N ATOM 1073 CA ARG A 66 -0.657 4.664 -8.350 1.00 43.50 C ATOM 1074 C ARG A 66 0.806 4.886 -7.932 1.00 31.11 C ATOM 1075 O ARG A 66 1.574 5.540 -8.643 1.00 12.21 O ATOM 1076 CB ARG A 66 -0.731 4.386 -9.861 1.00 64.52 C ATOM 1077 CG ARG A 66 -2.126 4.015 -10.365 1.00 35.43 C ATOM 1078 CD ARG A 66 -2.134 3.804 -11.879 1.00 54.42 C ATOM 1079 NE ARG A 66 -1.134 2.822 -12.304 1.00 13.43 N ATOM 1080 CZ ARG A 66 -0.273 3.016 -13.268 1.00 43.24 C ATOM 1081 NH1 ARG A 66 -0.276 4.120 -13.947 1.00 23.44 N ATOM 1082 NH2 ARG A 66 0.584 2.091 -13.549 1.00 75.21 N ATOM 0 H ARG A 66 -1.630 6.475 -8.784 1.00 45.14 H new ATOM 0 HA ARG A 66 -1.052 3.802 -7.812 1.00 43.50 H new ATOM 0 HB2 ARG A 66 -0.386 5.269 -10.398 1.00 64.52 H new ATOM 0 HB3 ARG A 66 -0.043 3.577 -10.104 1.00 64.52 H new ATOM 0 HG2 ARG A 66 -2.464 3.106 -9.868 1.00 35.43 H new ATOM 0 HG3 ARG A 66 -2.831 4.804 -10.102 1.00 35.43 H new ATOM 0 HD2 ARG A 66 -3.124 3.472 -12.193 1.00 54.42 H new ATOM 0 HD3 ARG A 66 -1.943 4.754 -12.378 1.00 54.42 H new ATOM 0 HE ARG A 66 -1.108 1.927 -11.815 1.00 13.43 H new ATOM 0 HH11 ARG A 66 -0.956 4.850 -13.731 1.00 23.44 H new ATOM 0 HH12 ARG A 66 0.401 4.259 -14.697 1.00 23.44 H new ATOM 0 HH21 ARG A 66 0.585 1.219 -13.020 1.00 75.21 H new ATOM 0 HH22 ARG A 66 1.260 2.233 -14.300 1.00 75.21 H new ATOM 1096 N VAL A 67 1.179 4.368 -6.764 1.00 24.03 N ATOM 1097 CA VAL A 67 2.543 4.535 -6.246 1.00 13.53 C ATOM 1098 C VAL A 67 3.465 3.403 -6.696 1.00 34.14 C ATOM 1099 O VAL A 67 3.150 2.221 -6.556 1.00 60.34 O ATOM 1100 CB VAL A 67 2.565 4.645 -4.697 1.00 64.31 C ATOM 1101 CG1 VAL A 67 1.828 5.900 -4.236 1.00 34.44 C ATOM 1102 CG2 VAL A 67 1.968 3.398 -4.042 1.00 24.53 C ATOM 0 H VAL A 67 0.561 3.830 -6.157 1.00 24.03 H new ATOM 0 HA VAL A 67 2.914 5.471 -6.664 1.00 13.53 H new ATOM 0 HB VAL A 67 3.606 4.720 -4.383 1.00 64.31 H new ATOM 0 HG11 VAL A 67 1.855 5.959 -3.148 1.00 34.44 H new ATOM 0 HG12 VAL A 67 2.310 6.781 -4.659 1.00 34.44 H new ATOM 0 HG13 VAL A 67 0.792 5.857 -4.572 1.00 34.44 H new ATOM 0 HG21 VAL A 67 1.998 3.507 -2.958 1.00 24.53 H new ATOM 0 HG22 VAL A 67 0.934 3.276 -4.366 1.00 24.53 H new ATOM 0 HG23 VAL A 67 2.546 2.521 -4.335 1.00 24.53 H new ATOM 1112 N TYR A 68 4.610 3.790 -7.238 1.00 11.24 N ATOM 1113 CA TYR A 68 5.575 2.845 -7.782 1.00 24.32 C ATOM 1114 C TYR A 68 6.643 2.467 -6.744 1.00 22.01 C ATOM 1115 O TYR A 68 7.362 3.329 -6.228 1.00 0.03 O ATOM 1116 CB TYR A 68 6.230 3.453 -9.019 1.00 54.44 C ATOM 1117 CG TYR A 68 7.216 2.534 -9.697 1.00 54.03 C ATOM 1118 CD1 TYR A 68 6.800 1.640 -10.669 1.00 4.15 C ATOM 1119 CD2 TYR A 68 8.563 2.573 -9.369 1.00 13.00 C ATOM 1120 CE1 TYR A 68 7.702 0.799 -11.297 1.00 31.21 C ATOM 1121 CE2 TYR A 68 9.474 1.742 -9.990 1.00 74.33 C ATOM 1122 CZ TYR A 68 9.039 0.859 -10.956 1.00 1.11 C ATOM 1123 OH TYR A 68 9.946 0.031 -11.579 1.00 3.11 O ATOM 0 H TYR A 68 4.896 4.766 -7.313 1.00 11.24 H new ATOM 0 HA TYR A 68 5.048 1.930 -8.054 1.00 24.32 H new ATOM 0 HB2 TYR A 68 5.453 3.728 -9.733 1.00 54.44 H new ATOM 0 HB3 TYR A 68 6.741 4.373 -8.734 1.00 54.44 H new ATOM 0 HD1 TYR A 68 5.756 1.598 -10.941 1.00 4.15 H new ATOM 0 HD2 TYR A 68 8.905 3.266 -8.614 1.00 13.00 H new ATOM 0 HE1 TYR A 68 7.363 0.101 -12.048 1.00 31.21 H new ATOM 0 HE2 TYR A 68 10.519 1.783 -9.721 1.00 74.33 H new ATOM 0 HH TYR A 68 10.843 0.202 -11.223 1.00 3.11 H new ATOM 1133 N HIS A 69 6.760 1.173 -6.474 1.00 12.51 N ATOM 1134 CA HIS A 69 7.685 0.660 -5.461 1.00 25.31 C ATOM 1135 C HIS A 69 8.794 -0.206 -6.086 1.00 60.41 C ATOM 1136 O HIS A 69 8.568 -0.942 -7.045 1.00 23.21 O ATOM 1137 CB HIS A 69 6.897 -0.149 -4.424 1.00 31.43 C ATOM 1138 CG HIS A 69 7.734 -0.766 -3.343 1.00 44.04 C ATOM 1139 ND1 HIS A 69 8.212 -2.059 -3.406 1.00 51.53 N ATOM 1140 CD2 HIS A 69 8.166 -0.270 -2.157 1.00 32.11 C ATOM 1141 CE1 HIS A 69 8.896 -2.329 -2.314 1.00 75.40 C ATOM 1142 NE2 HIS A 69 8.885 -1.263 -1.543 1.00 44.23 N ATOM 0 H HIS A 69 6.220 0.448 -6.947 1.00 12.51 H new ATOM 0 HA HIS A 69 8.172 1.507 -4.978 1.00 25.31 H new ATOM 0 HB2 HIS A 69 6.155 0.502 -3.963 1.00 31.43 H new ATOM 0 HB3 HIS A 69 6.351 -0.940 -4.938 1.00 31.43 H new ATOM 0 HD1 HIS A 69 8.059 -2.706 -4.180 1.00 51.53 H new ATOM 0 HD2 HIS A 69 7.979 0.720 -1.769 1.00 32.11 H new ATOM 0 HE1 HIS A 69 9.383 -3.266 -2.089 1.00 75.40 H new ATOM 1151 N SER A 70 10.002 -0.101 -5.539 1.00 61.20 N ATOM 1152 CA SER A 70 11.136 -0.921 -5.987 1.00 13.34 C ATOM 1153 C SER A 70 11.960 -1.420 -4.794 1.00 24.52 C ATOM 1154 O SER A 70 12.004 -0.771 -3.752 1.00 0.03 O ATOM 1155 CB SER A 70 12.029 -0.134 -6.955 1.00 41.01 C ATOM 1156 OG SER A 70 11.348 0.151 -8.167 1.00 42.43 O ATOM 0 H SER A 70 10.226 0.545 -4.782 1.00 61.20 H new ATOM 0 HA SER A 70 10.732 -1.787 -6.512 1.00 13.34 H new ATOM 0 HB2 SER A 70 12.346 0.797 -6.486 1.00 41.01 H new ATOM 0 HB3 SER A 70 12.932 -0.707 -7.168 1.00 41.01 H new ATOM 0 HG SER A 70 10.706 0.877 -8.019 1.00 42.43 H new ATOM 1162 N ASP A 71 12.620 -2.564 -4.957 1.00 32.55 N ATOM 1163 CA ASP A 71 13.352 -3.213 -3.860 1.00 71.45 C ATOM 1164 C ASP A 71 14.401 -2.291 -3.206 1.00 24.44 C ATOM 1165 O ASP A 71 14.220 -1.830 -2.077 1.00 52.21 O ATOM 1166 CB ASP A 71 14.015 -4.492 -4.379 1.00 14.00 C ATOM 1167 CG ASP A 71 12.998 -5.447 -4.973 1.00 25.33 C ATOM 1168 OD1 ASP A 71 12.533 -5.193 -6.106 1.00 61.12 O ATOM 1169 OD2 ASP A 71 12.633 -6.437 -4.300 1.00 1.32 O ATOM 0 H ASP A 71 12.666 -3.068 -5.843 1.00 32.55 H new ATOM 0 HA ASP A 71 12.628 -3.453 -3.082 1.00 71.45 H new ATOM 0 HB2 ASP A 71 14.759 -4.236 -5.134 1.00 14.00 H new ATOM 0 HB3 ASP A 71 14.544 -4.985 -3.563 1.00 14.00 H new ATOM 1174 N LYS A 72 15.482 -2.011 -3.926 1.00 22.30 N ATOM 1175 CA LYS A 72 16.590 -1.201 -3.392 1.00 24.33 C ATOM 1176 C LYS A 72 16.378 0.307 -3.625 1.00 2.55 C ATOM 1177 O LYS A 72 17.334 1.084 -3.641 1.00 25.42 O ATOM 1178 CB LYS A 72 17.911 -1.667 -4.021 1.00 45.20 C ATOM 1179 CG LYS A 72 17.907 -1.675 -5.548 1.00 73.30 C ATOM 1180 CD LYS A 72 19.182 -2.298 -6.109 1.00 34.12 C ATOM 1181 CE LYS A 72 19.159 -2.382 -7.632 1.00 54.25 C ATOM 1182 NZ LYS A 72 20.367 -3.065 -8.172 1.00 2.02 N ATOM 0 H LYS A 72 15.622 -2.330 -4.884 1.00 22.30 H new ATOM 0 HA LYS A 72 16.625 -1.348 -2.312 1.00 24.33 H new ATOM 0 HB2 LYS A 72 18.715 -1.018 -3.674 1.00 45.20 H new ATOM 0 HB3 LYS A 72 18.136 -2.672 -3.664 1.00 45.20 H new ATOM 0 HG2 LYS A 72 17.041 -2.231 -5.907 1.00 73.30 H new ATOM 0 HG3 LYS A 72 17.807 -0.655 -5.918 1.00 73.30 H new ATOM 0 HD2 LYS A 72 20.042 -1.709 -5.792 1.00 34.12 H new ATOM 0 HD3 LYS A 72 19.310 -3.298 -5.693 1.00 34.12 H new ATOM 0 HE2 LYS A 72 18.266 -2.919 -7.952 1.00 54.25 H new ATOM 0 HE3 LYS A 72 19.094 -1.377 -8.049 1.00 54.25 H new ATOM 0 HZ1 LYS A 72 20.311 -3.101 -9.210 1.00 2.02 H new ATOM 0 HZ2 LYS A 72 21.219 -2.539 -7.889 1.00 2.02 H new ATOM 0 HZ3 LYS A 72 20.416 -4.033 -7.795 1.00 2.02 H new ATOM 1196 N LYS A 73 15.120 0.716 -3.783 1.00 63.21 N ATOM 1197 CA LYS A 73 14.780 2.131 -4.017 1.00 64.31 C ATOM 1198 C LYS A 73 13.527 2.562 -3.224 1.00 34.40 C ATOM 1199 O LYS A 73 13.275 3.754 -3.050 1.00 0.34 O ATOM 1200 CB LYS A 73 14.568 2.369 -5.525 1.00 4.34 C ATOM 1201 CG LYS A 73 14.197 3.808 -5.932 1.00 35.24 C ATOM 1202 CD LYS A 73 15.336 4.818 -5.720 1.00 0.15 C ATOM 1203 CE LYS A 73 15.343 5.416 -4.313 1.00 41.32 C ATOM 1204 NZ LYS A 73 14.056 6.100 -3.991 1.00 54.12 N ATOM 0 H LYS A 73 14.314 0.092 -3.754 1.00 63.21 H new ATOM 0 HA LYS A 73 15.611 2.740 -3.663 1.00 64.31 H new ATOM 0 HB2 LYS A 73 15.481 2.087 -6.050 1.00 4.34 H new ATOM 0 HB3 LYS A 73 13.781 1.699 -5.872 1.00 4.34 H new ATOM 0 HG2 LYS A 73 13.905 3.816 -6.982 1.00 35.24 H new ATOM 0 HG3 LYS A 73 13.328 4.127 -5.357 1.00 35.24 H new ATOM 0 HD2 LYS A 73 16.291 4.326 -5.906 1.00 0.15 H new ATOM 0 HD3 LYS A 73 15.244 5.621 -6.451 1.00 0.15 H new ATOM 0 HE2 LYS A 73 15.526 4.627 -3.584 1.00 41.32 H new ATOM 0 HE3 LYS A 73 16.164 6.128 -4.225 1.00 41.32 H new ATOM 0 HZ1 LYS A 73 14.253 7.039 -3.589 1.00 54.12 H new ATOM 0 HZ2 LYS A 73 13.493 6.206 -4.859 1.00 54.12 H new ATOM 0 HZ3 LYS A 73 13.524 5.532 -3.301 1.00 54.12 H new ATOM 1218 N GLY A 74 12.745 1.598 -2.742 1.00 55.30 N ATOM 1219 CA GLY A 74 11.493 1.916 -2.060 1.00 75.52 C ATOM 1220 C GLY A 74 10.471 2.566 -2.992 1.00 12.54 C ATOM 1221 O GLY A 74 9.601 1.886 -3.534 1.00 21.21 O ATOM 0 H GLY A 74 12.953 0.602 -2.810 1.00 55.30 H new ATOM 0 HA2 GLY A 74 11.069 1.004 -1.640 1.00 75.52 H new ATOM 0 HA3 GLY A 74 11.697 2.586 -1.225 1.00 75.52 H new ATOM 1225 N VAL A 75 10.589 3.875 -3.198 1.00 60.14 N ATOM 1226 CA VAL A 75 9.705 4.609 -4.115 1.00 40.43 C ATOM 1227 C VAL A 75 10.520 5.286 -5.230 1.00 65.05 C ATOM 1228 O VAL A 75 11.640 5.744 -4.998 1.00 42.22 O ATOM 1229 CB VAL A 75 8.868 5.680 -3.361 1.00 41.44 C ATOM 1230 CG1 VAL A 75 7.944 6.442 -4.316 1.00 33.24 C ATOM 1231 CG2 VAL A 75 8.063 5.035 -2.232 1.00 64.24 C ATOM 0 H VAL A 75 11.291 4.457 -2.742 1.00 60.14 H new ATOM 0 HA VAL A 75 9.022 3.883 -4.557 1.00 40.43 H new ATOM 0 HB VAL A 75 9.562 6.400 -2.926 1.00 41.44 H new ATOM 0 HG11 VAL A 75 7.373 7.183 -3.756 1.00 33.24 H new ATOM 0 HG12 VAL A 75 8.541 6.944 -5.077 1.00 33.24 H new ATOM 0 HG13 VAL A 75 7.259 5.742 -4.795 1.00 33.24 H new ATOM 0 HG21 VAL A 75 7.483 5.800 -1.715 1.00 64.24 H new ATOM 0 HG22 VAL A 75 7.388 4.287 -2.648 1.00 64.24 H new ATOM 0 HG23 VAL A 75 8.743 4.557 -1.527 1.00 64.24 H new ATOM 1241 N SER A 76 9.962 5.334 -6.441 1.00 63.52 N ATOM 1242 CA SER A 76 10.665 5.929 -7.595 1.00 4.35 C ATOM 1243 C SER A 76 9.761 6.881 -8.398 1.00 20.44 C ATOM 1244 O SER A 76 10.208 7.936 -8.852 1.00 54.34 O ATOM 1245 CB SER A 76 11.207 4.824 -8.516 1.00 14.41 C ATOM 1246 OG SER A 76 11.856 5.359 -9.658 1.00 0.01 O ATOM 0 H SER A 76 9.032 4.973 -6.654 1.00 63.52 H new ATOM 0 HA SER A 76 11.494 6.516 -7.199 1.00 4.35 H new ATOM 0 HB2 SER A 76 11.906 4.199 -7.961 1.00 14.41 H new ATOM 0 HB3 SER A 76 10.386 4.180 -8.833 1.00 14.41 H new ATOM 0 HG SER A 76 12.188 4.627 -10.218 1.00 0.01 H new ATOM 1252 N ALA A 77 8.490 6.513 -8.566 1.00 23.35 N ATOM 1253 CA ALA A 77 7.541 7.333 -9.338 1.00 10.30 C ATOM 1254 C ALA A 77 6.106 7.200 -8.801 1.00 14.13 C ATOM 1255 O ALA A 77 5.826 6.346 -7.959 1.00 62.21 O ATOM 1256 CB ALA A 77 7.590 6.947 -10.814 1.00 14.22 C ATOM 0 H ALA A 77 8.090 5.657 -8.182 1.00 23.35 H new ATOM 0 HA ALA A 77 7.840 8.376 -9.229 1.00 10.30 H new ATOM 0 HB1 ALA A 77 6.884 7.560 -11.374 1.00 14.22 H new ATOM 0 HB2 ALA A 77 8.597 7.109 -11.199 1.00 14.22 H new ATOM 0 HB3 ALA A 77 7.324 5.896 -10.924 1.00 14.22 H new ATOM 1262 N TRP A 78 5.202 8.051 -9.293 1.00 52.51 N ATOM 1263 CA TRP A 78 3.789 8.012 -8.880 1.00 41.12 C ATOM 1264 C TRP A 78 2.859 8.709 -9.894 1.00 63.52 C ATOM 1265 O TRP A 78 3.213 9.727 -10.493 1.00 45.32 O ATOM 1266 CB TRP A 78 3.615 8.627 -7.474 1.00 44.41 C ATOM 1267 CG TRP A 78 4.391 9.896 -7.234 1.00 65.34 C ATOM 1268 CD1 TRP A 78 5.612 10.002 -6.626 1.00 72.04 C ATOM 1269 CD2 TRP A 78 3.999 11.239 -7.571 1.00 10.25 C ATOM 1270 NE1 TRP A 78 5.999 11.318 -6.567 1.00 33.52 N ATOM 1271 CE2 TRP A 78 5.033 12.095 -7.142 1.00 60.41 C ATOM 1272 CE3 TRP A 78 2.881 11.802 -8.199 1.00 33.32 C ATOM 1273 CZ2 TRP A 78 4.980 13.474 -7.313 1.00 14.11 C ATOM 1274 CZ3 TRP A 78 2.832 13.173 -8.368 1.00 45.43 C ATOM 1275 CH2 TRP A 78 3.877 13.996 -7.927 1.00 4.02 C ATOM 0 H TRP A 78 5.419 8.776 -9.977 1.00 52.51 H new ATOM 0 HA TRP A 78 3.497 6.962 -8.847 1.00 41.12 H new ATOM 0 HB2 TRP A 78 2.557 8.830 -7.311 1.00 44.41 H new ATOM 0 HB3 TRP A 78 3.916 7.889 -6.731 1.00 44.41 H new ATOM 0 HD1 TRP A 78 6.188 9.171 -6.247 1.00 72.04 H new ATOM 0 HE1 TRP A 78 6.869 11.661 -6.159 1.00 33.52 H new ATOM 0 HE3 TRP A 78 2.072 11.176 -8.545 1.00 33.32 H new ATOM 0 HZ2 TRP A 78 5.783 14.110 -6.972 1.00 14.11 H new ATOM 0 HZ3 TRP A 78 1.973 13.618 -8.848 1.00 45.43 H new ATOM 0 HH2 TRP A 78 3.809 15.064 -8.075 1.00 4.02 H new ATOM 1286 N GLU A 79 1.666 8.138 -10.085 1.00 45.15 N ATOM 1287 CA GLU A 79 0.649 8.698 -10.995 1.00 22.23 C ATOM 1288 C GLU A 79 -0.712 8.815 -10.286 1.00 60.43 C ATOM 1289 O GLU A 79 -1.026 8.018 -9.409 1.00 33.32 O ATOM 1290 CB GLU A 79 0.489 7.814 -12.241 1.00 30.33 C ATOM 1291 CG GLU A 79 1.757 7.661 -13.080 1.00 62.24 C ATOM 1292 CD GLU A 79 1.520 6.847 -14.346 1.00 72.21 C ATOM 1293 OE1 GLU A 79 0.822 7.352 -15.257 1.00 42.34 O ATOM 1294 OE2 GLU A 79 2.022 5.709 -14.443 1.00 2.31 O ATOM 0 H GLU A 79 1.374 7.279 -9.618 1.00 45.15 H new ATOM 0 HA GLU A 79 0.986 9.690 -11.296 1.00 22.23 H new ATOM 0 HB2 GLU A 79 0.155 6.825 -11.928 1.00 30.33 H new ATOM 0 HB3 GLU A 79 -0.298 8.233 -12.869 1.00 30.33 H new ATOM 0 HG2 GLU A 79 2.132 8.648 -13.351 1.00 62.24 H new ATOM 0 HG3 GLU A 79 2.530 7.180 -12.481 1.00 62.24 H new ATOM 1301 N GLU A 80 -1.525 9.795 -10.677 1.00 41.24 N ATOM 1302 CA GLU A 80 -2.839 10.008 -10.046 1.00 54.14 C ATOM 1303 C GLU A 80 -3.994 9.766 -11.034 1.00 34.20 C ATOM 1304 O GLU A 80 -4.122 10.473 -12.040 1.00 70.35 O ATOM 1305 CB GLU A 80 -2.949 11.436 -9.480 1.00 62.25 C ATOM 1306 CG GLU A 80 -1.664 11.969 -8.844 1.00 11.14 C ATOM 1307 CD GLU A 80 -0.806 12.763 -9.824 1.00 44.44 C ATOM 1308 OE1 GLU A 80 -0.110 12.149 -10.663 1.00 74.51 O ATOM 1309 OE2 GLU A 80 -0.850 14.011 -9.774 1.00 1.12 O ATOM 0 H GLU A 80 -1.304 10.454 -11.423 1.00 41.24 H new ATOM 0 HA GLU A 80 -2.920 9.285 -9.234 1.00 54.14 H new ATOM 0 HB2 GLU A 80 -3.248 12.109 -10.283 1.00 62.25 H new ATOM 0 HB3 GLU A 80 -3.744 11.457 -8.734 1.00 62.25 H new ATOM 0 HG2 GLU A 80 -1.920 12.603 -7.995 1.00 11.14 H new ATOM 0 HG3 GLU A 80 -1.083 11.133 -8.454 1.00 11.14 H new ATOM 1316 N VAL A 81 -4.838 8.777 -10.735 1.00 61.53 N ATOM 1317 CA VAL A 81 -6.025 8.476 -11.554 1.00 11.43 C ATOM 1318 C VAL A 81 -7.321 8.698 -10.751 1.00 22.24 C ATOM 1319 O VAL A 81 -7.286 8.872 -9.532 1.00 53.41 O ATOM 1320 CB VAL A 81 -6.000 7.021 -12.093 1.00 5.34 C ATOM 1321 CG1 VAL A 81 -4.774 6.788 -12.972 1.00 72.34 C ATOM 1322 CG2 VAL A 81 -6.049 6.006 -10.952 1.00 30.34 C ATOM 0 H VAL A 81 -4.725 8.164 -9.927 1.00 61.53 H new ATOM 0 HA VAL A 81 -6.003 9.161 -12.402 1.00 11.43 H new ATOM 0 HB VAL A 81 -6.891 6.879 -12.705 1.00 5.34 H new ATOM 0 HG11 VAL A 81 -4.778 5.761 -13.338 1.00 72.34 H new ATOM 0 HG12 VAL A 81 -4.797 7.475 -13.818 1.00 72.34 H new ATOM 0 HG13 VAL A 81 -3.870 6.961 -12.389 1.00 72.34 H new ATOM 0 HG21 VAL A 81 -6.030 4.996 -11.362 1.00 30.34 H new ATOM 0 HG22 VAL A 81 -5.187 6.149 -10.300 1.00 30.34 H new ATOM 0 HG23 VAL A 81 -6.965 6.147 -10.378 1.00 30.34 H new ATOM 1332 N LYS A 82 -8.469 8.689 -11.432 1.00 64.01 N ATOM 1333 CA LYS A 82 -9.761 8.904 -10.761 1.00 32.14 C ATOM 1334 C LYS A 82 -10.602 7.615 -10.733 1.00 42.12 C ATOM 1335 O LYS A 82 -10.362 6.685 -11.504 1.00 34.42 O ATOM 1336 CB LYS A 82 -10.547 10.036 -11.447 1.00 53.43 C ATOM 1337 CG LYS A 82 -9.747 11.328 -11.649 1.00 30.31 C ATOM 1338 CD LYS A 82 -9.088 11.832 -10.359 1.00 70.24 C ATOM 1339 CE LYS A 82 -10.103 12.227 -9.290 1.00 72.41 C ATOM 1340 NZ LYS A 82 -10.946 13.378 -9.705 1.00 31.44 N ATOM 0 H LYS A 82 -8.535 8.537 -12.438 1.00 64.01 H new ATOM 0 HA LYS A 82 -9.552 9.193 -9.731 1.00 32.14 H new ATOM 0 HB2 LYS A 82 -10.896 9.683 -12.417 1.00 53.43 H new ATOM 0 HB3 LYS A 82 -11.432 10.260 -10.852 1.00 53.43 H new ATOM 0 HG2 LYS A 82 -8.977 11.158 -12.402 1.00 30.31 H new ATOM 0 HG3 LYS A 82 -10.409 12.102 -12.039 1.00 30.31 H new ATOM 0 HD2 LYS A 82 -8.434 11.055 -9.963 1.00 70.24 H new ATOM 0 HD3 LYS A 82 -8.458 12.691 -10.590 1.00 70.24 H new ATOM 0 HE2 LYS A 82 -10.743 11.373 -9.068 1.00 72.41 H new ATOM 0 HE3 LYS A 82 -9.577 12.479 -8.369 1.00 72.41 H new ATOM 0 HZ1 LYS A 82 -11.523 13.694 -8.900 1.00 31.44 H new ATOM 0 HZ2 LYS A 82 -10.336 14.159 -10.021 1.00 31.44 H new ATOM 0 HZ3 LYS A 82 -11.570 13.088 -10.485 1.00 31.44 H new ATOM 1354 N LYS A 83 -11.601 7.578 -9.847 1.00 11.05 N ATOM 1355 CA LYS A 83 -12.439 6.380 -9.647 1.00 14.03 C ATOM 1356 C LYS A 83 -13.116 5.885 -10.942 1.00 0.33 C ATOM 1357 O LYS A 83 -13.417 4.698 -11.075 1.00 15.34 O ATOM 1358 CB LYS A 83 -13.487 6.639 -8.538 1.00 73.04 C ATOM 1359 CG LYS A 83 -14.217 7.983 -8.626 1.00 60.12 C ATOM 1360 CD LYS A 83 -15.285 8.008 -9.716 1.00 22.41 C ATOM 1361 CE LYS A 83 -15.992 9.361 -9.779 1.00 24.10 C ATOM 1362 NZ LYS A 83 -16.718 9.689 -8.517 1.00 53.21 N ATOM 0 H LYS A 83 -11.855 8.366 -9.251 1.00 11.05 H new ATOM 0 HA LYS A 83 -11.771 5.578 -9.332 1.00 14.03 H new ATOM 0 HB2 LYS A 83 -14.228 5.840 -8.567 1.00 73.04 H new ATOM 0 HB3 LYS A 83 -12.990 6.577 -7.570 1.00 73.04 H new ATOM 0 HG2 LYS A 83 -14.681 8.202 -7.664 1.00 60.12 H new ATOM 0 HG3 LYS A 83 -13.491 8.773 -8.817 1.00 60.12 H new ATOM 0 HD2 LYS A 83 -14.826 7.791 -10.681 1.00 22.41 H new ATOM 0 HD3 LYS A 83 -16.017 7.223 -9.527 1.00 22.41 H new ATOM 0 HE2 LYS A 83 -15.259 10.141 -9.985 1.00 24.10 H new ATOM 0 HE3 LYS A 83 -16.698 9.360 -10.610 1.00 24.10 H new ATOM 0 HZ1 LYS A 83 -17.315 10.527 -8.668 1.00 53.21 H new ATOM 0 HZ2 LYS A 83 -17.315 8.884 -8.241 1.00 53.21 H new ATOM 0 HZ3 LYS A 83 -16.030 9.885 -7.762 1.00 53.21 H new ATOM 1376 N ASP A 84 -13.339 6.790 -11.891 1.00 11.12 N ATOM 1377 CA ASP A 84 -13.982 6.446 -13.166 1.00 73.10 C ATOM 1378 C ASP A 84 -13.162 5.418 -13.969 1.00 44.35 C ATOM 1379 O ASP A 84 -13.715 4.605 -14.714 1.00 45.04 O ATOM 1380 CB ASP A 84 -14.187 7.724 -13.989 1.00 25.51 C ATOM 1381 CG ASP A 84 -14.789 7.454 -15.359 1.00 13.24 C ATOM 1382 OD1 ASP A 84 -16.013 7.209 -15.442 1.00 11.12 O ATOM 1383 OD2 ASP A 84 -14.044 7.498 -16.361 1.00 11.14 O ATOM 0 H ASP A 84 -13.084 7.774 -11.805 1.00 11.12 H new ATOM 0 HA ASP A 84 -14.945 5.985 -12.948 1.00 73.10 H new ATOM 0 HB2 ASP A 84 -14.838 8.404 -13.439 1.00 25.51 H new ATOM 0 HB3 ASP A 84 -13.229 8.229 -14.112 1.00 25.51 H new ATOM 1388 N GLU A 85 -11.847 5.447 -13.788 1.00 63.52 N ATOM 1389 CA GLU A 85 -10.928 4.611 -14.567 1.00 44.33 C ATOM 1390 C GLU A 85 -10.760 3.201 -13.969 1.00 4.24 C ATOM 1391 O GLU A 85 -9.993 2.387 -14.489 1.00 51.14 O ATOM 1392 CB GLU A 85 -9.566 5.317 -14.653 1.00 34.21 C ATOM 1393 CG GLU A 85 -9.644 6.698 -15.297 1.00 11.33 C ATOM 1394 CD GLU A 85 -8.334 7.470 -15.216 1.00 41.50 C ATOM 1395 OE1 GLU A 85 -7.408 7.168 -16.000 1.00 64.22 O ATOM 1396 OE2 GLU A 85 -8.233 8.397 -14.382 1.00 3.04 O ATOM 0 H GLU A 85 -11.385 6.045 -13.103 1.00 63.52 H new ATOM 0 HA GLU A 85 -11.353 4.479 -15.562 1.00 44.33 H new ATOM 0 HB2 GLU A 85 -9.150 5.414 -13.650 1.00 34.21 H new ATOM 0 HB3 GLU A 85 -8.877 4.695 -15.225 1.00 34.21 H new ATOM 0 HG2 GLU A 85 -9.930 6.589 -16.343 1.00 11.33 H new ATOM 0 HG3 GLU A 85 -10.430 7.275 -14.810 1.00 11.33 H new ATOM 1403 N LEU A 86 -11.487 2.907 -12.892 1.00 51.15 N ATOM 1404 CA LEU A 86 -11.358 1.616 -12.195 1.00 30.33 C ATOM 1405 C LEU A 86 -12.560 0.688 -12.464 1.00 45.51 C ATOM 1406 O LEU A 86 -13.704 1.143 -12.538 1.00 24.45 O ATOM 1407 CB LEU A 86 -11.216 1.854 -10.683 1.00 15.42 C ATOM 1408 CG LEU A 86 -10.033 2.743 -10.262 1.00 61.32 C ATOM 1409 CD1 LEU A 86 -10.013 2.925 -8.749 1.00 52.31 C ATOM 1410 CD2 LEU A 86 -8.708 2.159 -10.751 1.00 62.53 C ATOM 0 H LEU A 86 -12.172 3.540 -12.479 1.00 51.15 H new ATOM 0 HA LEU A 86 -10.467 1.122 -12.582 1.00 30.33 H new ATOM 0 HB2 LEU A 86 -12.137 2.307 -10.316 1.00 15.42 H new ATOM 0 HB3 LEU A 86 -11.116 0.888 -10.188 1.00 15.42 H new ATOM 0 HG LEU A 86 -10.162 3.721 -10.726 1.00 61.32 H new ATOM 0 HD11 LEU A 86 -9.170 3.556 -8.470 1.00 52.31 H new ATOM 0 HD12 LEU A 86 -10.942 3.396 -8.427 1.00 52.31 H new ATOM 0 HD13 LEU A 86 -9.913 1.953 -8.267 1.00 52.31 H new ATOM 0 HD21 LEU A 86 -7.888 2.807 -10.440 1.00 62.53 H new ATOM 0 HD22 LEU A 86 -8.568 1.166 -10.324 1.00 62.53 H new ATOM 0 HD23 LEU A 86 -8.721 2.087 -11.839 1.00 62.53 H new ATOM 1422 N PRO A 87 -12.314 -0.633 -12.618 1.00 43.54 N ATOM 1423 CA PRO A 87 -13.391 -1.631 -12.785 1.00 71.10 C ATOM 1424 C PRO A 87 -14.177 -1.888 -11.483 1.00 0.14 C ATOM 1425 O PRO A 87 -13.718 -1.552 -10.390 1.00 5.20 O ATOM 1426 CB PRO A 87 -12.637 -2.892 -13.230 1.00 62.12 C ATOM 1427 CG PRO A 87 -11.268 -2.737 -12.660 1.00 42.51 C ATOM 1428 CD PRO A 87 -10.974 -1.257 -12.666 1.00 75.02 C ATOM 0 HA PRO A 87 -14.147 -1.298 -13.496 1.00 71.10 H new ATOM 0 HB2 PRO A 87 -13.121 -3.795 -12.857 1.00 62.12 H new ATOM 0 HB3 PRO A 87 -12.607 -2.972 -14.317 1.00 62.12 H new ATOM 0 HG2 PRO A 87 -11.220 -3.139 -11.648 1.00 42.51 H new ATOM 0 HG3 PRO A 87 -10.535 -3.282 -13.255 1.00 42.51 H new ATOM 0 HD2 PRO A 87 -10.366 -0.966 -11.809 1.00 75.02 H new ATOM 0 HD3 PRO A 87 -10.426 -0.961 -13.561 1.00 75.02 H new ATOM 1436 N ALA A 88 -15.353 -2.504 -11.607 1.00 75.51 N ATOM 1437 CA ALA A 88 -16.261 -2.692 -10.467 1.00 31.22 C ATOM 1438 C ALA A 88 -15.805 -3.810 -9.512 1.00 15.23 C ATOM 1439 O ALA A 88 -15.581 -3.569 -8.328 1.00 43.41 O ATOM 1440 CB ALA A 88 -17.676 -2.973 -10.967 1.00 11.32 C ATOM 0 H ALA A 88 -15.703 -2.883 -12.487 1.00 75.51 H new ATOM 0 HA ALA A 88 -16.246 -1.765 -9.895 1.00 31.22 H new ATOM 0 HB1 ALA A 88 -18.342 -3.111 -10.115 1.00 11.32 H new ATOM 0 HB2 ALA A 88 -18.024 -2.132 -11.567 1.00 11.32 H new ATOM 0 HB3 ALA A 88 -17.674 -3.877 -11.576 1.00 11.32 H new ATOM 1446 N LYS A 89 -15.654 -5.026 -10.038 1.00 62.31 N ATOM 1447 CA LYS A 89 -15.377 -6.214 -9.208 1.00 23.11 C ATOM 1448 C LYS A 89 -14.194 -6.032 -8.235 1.00 44.34 C ATOM 1449 O LYS A 89 -14.209 -6.590 -7.134 1.00 23.12 O ATOM 1450 CB LYS A 89 -15.160 -7.447 -10.101 1.00 12.34 C ATOM 1451 CG LYS A 89 -16.466 -8.104 -10.548 1.00 14.22 C ATOM 1452 CD LYS A 89 -17.161 -8.813 -9.382 1.00 22.33 C ATOM 1453 CE LYS A 89 -18.555 -9.309 -9.751 1.00 60.14 C ATOM 1454 NZ LYS A 89 -19.536 -8.197 -9.872 1.00 12.34 N ATOM 0 H LYS A 89 -15.718 -5.221 -11.037 1.00 62.31 H new ATOM 0 HA LYS A 89 -16.257 -6.362 -8.582 1.00 23.11 H new ATOM 0 HB2 LYS A 89 -14.588 -7.154 -10.982 1.00 12.34 H new ATOM 0 HB3 LYS A 89 -14.559 -8.178 -9.560 1.00 12.34 H new ATOM 0 HG2 LYS A 89 -17.131 -7.348 -10.965 1.00 14.22 H new ATOM 0 HG3 LYS A 89 -16.261 -8.822 -11.342 1.00 14.22 H new ATOM 0 HD2 LYS A 89 -16.552 -9.657 -9.059 1.00 22.33 H new ATOM 0 HD3 LYS A 89 -17.234 -8.130 -8.536 1.00 22.33 H new ATOM 0 HE2 LYS A 89 -18.507 -9.852 -10.695 1.00 60.14 H new ATOM 0 HE3 LYS A 89 -18.900 -10.014 -8.994 1.00 60.14 H new ATOM 0 HZ1 LYS A 89 -20.450 -8.496 -9.475 1.00 12.34 H new ATOM 0 HZ2 LYS A 89 -19.187 -7.368 -9.351 1.00 12.34 H new ATOM 0 HZ3 LYS A 89 -19.658 -7.949 -10.875 1.00 12.34 H new ATOM 1468 N VAL A 90 -13.182 -5.257 -8.622 1.00 74.21 N ATOM 1469 CA VAL A 90 -12.045 -4.991 -7.726 1.00 33.43 C ATOM 1470 C VAL A 90 -12.450 -4.079 -6.547 1.00 4.52 C ATOM 1471 O VAL A 90 -12.120 -4.352 -5.392 1.00 33.14 O ATOM 1472 CB VAL A 90 -10.840 -4.366 -8.484 1.00 63.51 C ATOM 1473 CG1 VAL A 90 -11.192 -3.003 -9.075 1.00 52.33 C ATOM 1474 CG2 VAL A 90 -9.617 -4.266 -7.569 1.00 22.12 C ATOM 0 H VAL A 90 -13.120 -4.806 -9.535 1.00 74.21 H new ATOM 0 HA VAL A 90 -11.736 -5.958 -7.329 1.00 33.43 H new ATOM 0 HB VAL A 90 -10.594 -5.028 -9.315 1.00 63.51 H new ATOM 0 HG11 VAL A 90 -10.325 -2.598 -9.597 1.00 52.33 H new ATOM 0 HG12 VAL A 90 -12.019 -3.113 -9.776 1.00 52.33 H new ATOM 0 HG13 VAL A 90 -11.484 -2.323 -8.274 1.00 52.33 H new ATOM 0 HG21 VAL A 90 -8.786 -3.826 -8.120 1.00 22.12 H new ATOM 0 HG22 VAL A 90 -9.856 -3.639 -6.710 1.00 22.12 H new ATOM 0 HG23 VAL A 90 -9.338 -5.262 -7.225 1.00 22.12 H new ATOM 1484 N LYS A 91 -13.189 -3.012 -6.843 1.00 41.20 N ATOM 1485 CA LYS A 91 -13.636 -2.062 -5.813 1.00 32.55 C ATOM 1486 C LYS A 91 -14.925 -2.551 -5.127 1.00 72.32 C ATOM 1487 O LYS A 91 -15.364 -1.986 -4.126 1.00 33.33 O ATOM 1488 CB LYS A 91 -13.856 -0.674 -6.432 1.00 33.11 C ATOM 1489 CG LYS A 91 -14.916 -0.651 -7.529 1.00 51.14 C ATOM 1490 CD LYS A 91 -15.078 0.735 -8.146 1.00 53.43 C ATOM 1491 CE LYS A 91 -15.512 1.773 -7.115 1.00 43.24 C ATOM 1492 NZ LYS A 91 -15.818 3.085 -7.742 1.00 55.24 N ATOM 0 H LYS A 91 -13.494 -2.779 -7.788 1.00 41.20 H new ATOM 0 HA LYS A 91 -12.856 -1.993 -5.055 1.00 32.55 H new ATOM 0 HB2 LYS A 91 -14.145 0.023 -5.645 1.00 33.11 H new ATOM 0 HB3 LYS A 91 -12.912 -0.316 -6.844 1.00 33.11 H new ATOM 0 HG2 LYS A 91 -14.646 -1.364 -8.308 1.00 51.14 H new ATOM 0 HG3 LYS A 91 -15.871 -0.977 -7.116 1.00 51.14 H new ATOM 0 HD2 LYS A 91 -14.135 1.044 -8.596 1.00 53.43 H new ATOM 0 HD3 LYS A 91 -15.815 0.691 -8.948 1.00 53.43 H new ATOM 0 HE2 LYS A 91 -16.392 1.411 -6.584 1.00 43.24 H new ATOM 0 HE3 LYS A 91 -14.723 1.900 -6.374 1.00 43.24 H new ATOM 0 HZ1 LYS A 91 -16.109 3.761 -7.007 1.00 55.24 H new ATOM 0 HZ2 LYS A 91 -14.971 3.444 -8.227 1.00 55.24 H new ATOM 0 HZ3 LYS A 91 -16.589 2.969 -8.431 1.00 55.24 H new ATOM 1506 N GLU A 92 -15.515 -3.613 -5.674 1.00 35.24 N ATOM 1507 CA GLU A 92 -16.734 -4.217 -5.124 1.00 44.24 C ATOM 1508 C GLU A 92 -16.441 -4.953 -3.797 1.00 51.13 C ATOM 1509 O GLU A 92 -17.348 -5.450 -3.125 1.00 70.55 O ATOM 1510 CB GLU A 92 -17.332 -5.182 -6.166 1.00 72.41 C ATOM 1511 CG GLU A 92 -18.748 -5.650 -5.859 1.00 53.31 C ATOM 1512 CD GLU A 92 -19.289 -6.608 -6.912 1.00 1.53 C ATOM 1513 OE1 GLU A 92 -19.869 -6.142 -7.917 1.00 65.20 O ATOM 1514 OE2 GLU A 92 -19.130 -7.834 -6.744 1.00 12.11 O ATOM 0 H GLU A 92 -15.164 -4.081 -6.510 1.00 35.24 H new ATOM 0 HA GLU A 92 -17.455 -3.429 -4.905 1.00 44.24 H new ATOM 0 HB2 GLU A 92 -17.329 -4.692 -7.140 1.00 72.41 H new ATOM 0 HB3 GLU A 92 -16.685 -6.055 -6.247 1.00 72.41 H new ATOM 0 HG2 GLU A 92 -18.762 -6.140 -4.886 1.00 53.31 H new ATOM 0 HG3 GLU A 92 -19.406 -4.784 -5.789 1.00 53.31 H new ATOM 1521 N LYS A 93 -15.156 -5.032 -3.437 1.00 23.35 N ATOM 1522 CA LYS A 93 -14.730 -5.603 -2.151 1.00 34.11 C ATOM 1523 C LYS A 93 -14.180 -4.521 -1.201 1.00 4.31 C ATOM 1524 O LYS A 93 -14.337 -4.613 0.017 1.00 74.31 O ATOM 1525 CB LYS A 93 -13.675 -6.698 -2.376 1.00 53.11 C ATOM 1526 CG LYS A 93 -14.214 -7.919 -3.119 1.00 53.23 C ATOM 1527 CD LYS A 93 -13.155 -9.010 -3.280 1.00 21.01 C ATOM 1528 CE LYS A 93 -12.020 -8.576 -4.199 1.00 23.32 C ATOM 1529 NZ LYS A 93 -10.989 -9.639 -4.352 1.00 43.44 N ATOM 0 H LYS A 93 -14.386 -4.706 -4.021 1.00 23.35 H new ATOM 0 HA LYS A 93 -15.608 -6.044 -1.679 1.00 34.11 H new ATOM 0 HB2 LYS A 93 -12.842 -6.278 -2.939 1.00 53.11 H new ATOM 0 HB3 LYS A 93 -13.280 -7.015 -1.411 1.00 53.11 H new ATOM 0 HG2 LYS A 93 -15.070 -8.323 -2.578 1.00 53.23 H new ATOM 0 HG3 LYS A 93 -14.573 -7.615 -4.102 1.00 53.23 H new ATOM 0 HD2 LYS A 93 -12.750 -9.269 -2.302 1.00 21.01 H new ATOM 0 HD3 LYS A 93 -13.621 -9.910 -3.680 1.00 21.01 H new ATOM 0 HE2 LYS A 93 -12.424 -8.319 -5.178 1.00 23.32 H new ATOM 0 HE3 LYS A 93 -11.555 -7.675 -3.800 1.00 23.32 H new ATOM 0 HZ1 LYS A 93 -10.235 -9.303 -4.985 1.00 43.44 H new ATOM 0 HZ2 LYS A 93 -10.584 -9.866 -3.421 1.00 43.44 H new ATOM 0 HZ3 LYS A 93 -11.426 -10.491 -4.757 1.00 43.44 H new ATOM 1543 N LEU A 94 -13.542 -3.492 -1.764 1.00 51.54 N ATOM 1544 CA LEU A 94 -12.956 -2.404 -0.965 1.00 30.41 C ATOM 1545 C LEU A 94 -13.935 -1.222 -0.820 1.00 75.22 C ATOM 1546 O LEU A 94 -14.401 -0.660 -1.813 1.00 44.35 O ATOM 1547 CB LEU A 94 -11.638 -1.912 -1.596 1.00 52.32 C ATOM 1548 CG LEU A 94 -10.448 -2.894 -1.531 1.00 74.44 C ATOM 1549 CD1 LEU A 94 -10.693 -4.128 -2.401 1.00 21.35 C ATOM 1550 CD2 LEU A 94 -9.149 -2.189 -1.932 1.00 51.21 C ATOM 0 H LEU A 94 -13.416 -3.386 -2.771 1.00 51.54 H new ATOM 0 HA LEU A 94 -12.750 -2.805 0.027 1.00 30.41 H new ATOM 0 HB2 LEU A 94 -11.827 -1.670 -2.642 1.00 52.32 H new ATOM 0 HB3 LEU A 94 -11.346 -0.985 -1.102 1.00 52.32 H new ATOM 0 HG LEU A 94 -10.351 -3.236 -0.501 1.00 74.44 H new ATOM 0 HD11 LEU A 94 -9.836 -4.798 -2.332 1.00 21.35 H new ATOM 0 HD12 LEU A 94 -11.587 -4.646 -2.054 1.00 21.35 H new ATOM 0 HD13 LEU A 94 -10.831 -3.821 -3.438 1.00 21.35 H new ATOM 0 HD21 LEU A 94 -8.321 -2.896 -1.881 1.00 51.21 H new ATOM 0 HD22 LEU A 94 -9.240 -1.810 -2.950 1.00 51.21 H new ATOM 0 HD23 LEU A 94 -8.960 -1.359 -1.251 1.00 51.21 H new ATOM 1562 N GLY A 95 -14.224 -0.834 0.425 1.00 1.33 N ATOM 1563 CA GLY A 95 -15.167 0.252 0.678 1.00 51.14 C ATOM 1564 C GLY A 95 -16.613 -0.128 0.367 1.00 22.23 C ATOM 1565 O GLY A 95 -17.284 0.537 -0.426 1.00 11.32 O ATOM 0 H GLY A 95 -13.822 -1.252 1.264 1.00 1.33 H new ATOM 0 HA2 GLY A 95 -15.093 0.554 1.723 1.00 51.14 H new ATOM 0 HA3 GLY A 95 -14.887 1.116 0.076 1.00 51.14 H new ATOM 1569 N VAL A 96 -17.092 -1.209 0.980 1.00 50.33 N ATOM 1570 CA VAL A 96 -18.452 -1.698 0.729 1.00 53.20 C ATOM 1571 C VAL A 96 -19.390 -1.439 1.916 1.00 74.52 C ATOM 1572 O VAL A 96 -18.999 -1.555 3.079 1.00 14.54 O ATOM 1573 CB VAL A 96 -18.461 -3.214 0.416 1.00 42.42 C ATOM 1574 CG1 VAL A 96 -19.857 -3.683 0.002 1.00 41.03 C ATOM 1575 CG2 VAL A 96 -17.438 -3.544 -0.662 1.00 45.13 C ATOM 0 H VAL A 96 -16.562 -1.764 1.653 1.00 50.33 H new ATOM 0 HA VAL A 96 -18.813 -1.142 -0.136 1.00 53.20 H new ATOM 0 HB VAL A 96 -18.186 -3.748 1.326 1.00 42.42 H new ATOM 0 HG11 VAL A 96 -19.833 -4.752 -0.212 1.00 41.03 H new ATOM 0 HG12 VAL A 96 -20.561 -3.491 0.812 1.00 41.03 H new ATOM 0 HG13 VAL A 96 -20.173 -3.142 -0.890 1.00 41.03 H new ATOM 0 HG21 VAL A 96 -17.459 -4.614 -0.868 1.00 45.13 H new ATOM 0 HG22 VAL A 96 -17.678 -2.994 -1.572 1.00 45.13 H new ATOM 0 HG23 VAL A 96 -16.443 -3.260 -0.319 1.00 45.13 H new ATOM 1585 N LYS A 97 -20.628 -1.088 1.593 1.00 1.01 N ATOM 1586 CA LYS A 97 -21.689 -0.913 2.587 1.00 0.23 C ATOM 1587 C LYS A 97 -23.066 -1.015 1.916 1.00 54.22 C ATOM 1588 O LYS A 97 -24.005 -1.590 2.469 1.00 45.22 O ATOM 1589 CB LYS A 97 -21.556 0.437 3.305 1.00 53.31 C ATOM 1590 CG LYS A 97 -22.604 0.643 4.397 1.00 42.44 C ATOM 1591 CD LYS A 97 -22.464 1.995 5.089 1.00 63.23 C ATOM 1592 CE LYS A 97 -22.667 3.158 4.126 1.00 21.50 C ATOM 1593 NZ LYS A 97 -22.823 4.442 4.854 1.00 44.02 N ATOM 0 H LYS A 97 -20.929 -0.915 0.634 1.00 1.01 H new ATOM 0 HA LYS A 97 -21.591 -1.706 3.328 1.00 0.23 H new ATOM 0 HB2 LYS A 97 -20.562 0.510 3.746 1.00 53.31 H new ATOM 0 HB3 LYS A 97 -21.640 1.240 2.573 1.00 53.31 H new ATOM 0 HG2 LYS A 97 -23.600 0.562 3.961 1.00 42.44 H new ATOM 0 HG3 LYS A 97 -22.515 -0.152 5.137 1.00 42.44 H new ATOM 0 HD2 LYS A 97 -23.191 2.064 5.898 1.00 63.23 H new ATOM 0 HD3 LYS A 97 -21.475 2.069 5.542 1.00 63.23 H new ATOM 0 HE2 LYS A 97 -21.816 3.224 3.448 1.00 21.50 H new ATOM 0 HE3 LYS A 97 -23.550 2.976 3.513 1.00 21.50 H new ATOM 0 HZ1 LYS A 97 -22.959 5.214 4.171 1.00 44.02 H new ATOM 0 HZ2 LYS A 97 -23.649 4.386 5.483 1.00 44.02 H new ATOM 0 HZ3 LYS A 97 -21.970 4.627 5.419 1.00 44.02 H new ATOM 1607 N LEU A 98 -23.177 -0.450 0.713 1.00 62.41 N ATOM 1608 CA LEU A 98 -24.415 -0.525 -0.067 1.00 34.35 C ATOM 1609 C LEU A 98 -24.549 -1.896 -0.754 1.00 73.44 C ATOM 1610 O LEU A 98 -23.887 -2.168 -1.757 1.00 44.43 O ATOM 1611 CB LEU A 98 -24.456 0.599 -1.112 1.00 61.21 C ATOM 1612 CG LEU A 98 -24.375 2.030 -0.546 1.00 33.24 C ATOM 1613 CD1 LEU A 98 -24.377 3.059 -1.677 1.00 14.44 C ATOM 1614 CD2 LEU A 98 -25.519 2.296 0.433 1.00 13.42 C ATOM 0 H LEU A 98 -22.424 0.065 0.256 1.00 62.41 H new ATOM 0 HA LEU A 98 -25.255 -0.402 0.616 1.00 34.35 H new ATOM 0 HB2 LEU A 98 -23.630 0.455 -1.809 1.00 61.21 H new ATOM 0 HB3 LEU A 98 -25.378 0.505 -1.686 1.00 61.21 H new ATOM 0 HG LEU A 98 -23.437 2.126 0.000 1.00 33.24 H new ATOM 0 HD11 LEU A 98 -24.319 4.063 -1.256 1.00 14.44 H new ATOM 0 HD12 LEU A 98 -23.518 2.888 -2.326 1.00 14.44 H new ATOM 0 HD13 LEU A 98 -25.295 2.961 -2.256 1.00 14.44 H new ATOM 0 HD21 LEU A 98 -25.439 3.312 0.818 1.00 13.42 H new ATOM 0 HD22 LEU A 98 -26.473 2.177 -0.081 1.00 13.42 H new ATOM 0 HD23 LEU A 98 -25.462 1.589 1.260 1.00 13.42 H new ATOM 1626 N GLU A 99 -25.412 -2.747 -0.208 1.00 32.44 N ATOM 1627 CA GLU A 99 -25.619 -4.112 -0.724 1.00 50.43 C ATOM 1628 C GLU A 99 -26.029 -4.138 -2.210 1.00 73.23 C ATOM 1629 O GLU A 99 -25.803 -5.133 -2.904 1.00 52.13 O ATOM 1630 CB GLU A 99 -26.700 -4.819 0.110 1.00 62.03 C ATOM 1631 CG GLU A 99 -27.084 -6.200 -0.413 1.00 32.11 C ATOM 1632 CD GLU A 99 -28.206 -6.844 0.384 1.00 73.30 C ATOM 1633 OE1 GLU A 99 -29.390 -6.547 0.111 1.00 61.14 O ATOM 1634 OE2 GLU A 99 -27.910 -7.653 1.290 1.00 1.44 O ATOM 0 H GLU A 99 -25.989 -2.519 0.601 1.00 32.44 H new ATOM 0 HA GLU A 99 -24.664 -4.630 -0.642 1.00 50.43 H new ATOM 0 HB2 GLU A 99 -26.347 -4.916 1.137 1.00 62.03 H new ATOM 0 HB3 GLU A 99 -27.591 -4.192 0.138 1.00 62.03 H new ATOM 0 HG2 GLU A 99 -27.388 -6.116 -1.456 1.00 32.11 H new ATOM 0 HG3 GLU A 99 -26.208 -6.849 -0.388 1.00 32.11 H new ATOM 1641 N HIS A 100 -26.609 -3.035 -2.696 1.00 42.34 N ATOM 1642 CA HIS A 100 -27.246 -3.000 -4.021 1.00 53.24 C ATOM 1643 C HIS A 100 -28.483 -3.918 -4.030 1.00 34.44 C ATOM 1644 O HIS A 100 -29.062 -4.200 -2.981 1.00 54.52 O ATOM 1645 CB HIS A 100 -26.263 -3.421 -5.130 1.00 4.15 C ATOM 1646 CG HIS A 100 -25.053 -2.542 -5.244 1.00 50.13 C ATOM 1647 ND1 HIS A 100 -23.830 -2.868 -4.696 1.00 13.53 N ATOM 1648 CD2 HIS A 100 -24.874 -1.351 -5.865 1.00 45.44 C ATOM 1649 CE1 HIS A 100 -22.958 -1.922 -4.971 1.00 43.45 C ATOM 1650 NE2 HIS A 100 -23.561 -0.990 -5.679 1.00 70.00 N ATOM 0 H HIS A 100 -26.651 -2.150 -2.190 1.00 42.34 H new ATOM 0 HA HIS A 100 -27.554 -1.974 -4.222 1.00 53.24 H new ATOM 0 HB2 HIS A 100 -25.938 -4.445 -4.943 1.00 4.15 H new ATOM 0 HB3 HIS A 100 -26.789 -3.422 -6.085 1.00 4.15 H new ATOM 0 HD2 HIS A 100 -25.623 -0.790 -6.405 1.00 45.44 H new ATOM 0 HE1 HIS A 100 -21.922 -1.912 -4.667 1.00 43.45 H new ATOM 0 HE2 HIS A 100 -23.125 -0.138 -6.032 1.00 70.00 H new ATOM 1659 N HIS A 101 -28.909 -4.360 -5.207 1.00 62.11 N ATOM 1660 CA HIS A 101 -30.014 -5.313 -5.302 1.00 3.20 C ATOM 1661 C HIS A 101 -29.581 -6.570 -6.065 1.00 1.22 C ATOM 1662 O HIS A 101 -28.896 -6.484 -7.083 1.00 64.10 O ATOM 1663 CB HIS A 101 -31.226 -4.651 -5.966 1.00 52.44 C ATOM 1664 CG HIS A 101 -31.742 -3.471 -5.197 1.00 24.03 C ATOM 1665 ND1 HIS A 101 -31.569 -3.322 -3.836 1.00 72.04 N ATOM 1666 CD2 HIS A 101 -32.420 -2.370 -5.605 1.00 43.41 C ATOM 1667 CE1 HIS A 101 -32.114 -2.193 -3.444 1.00 30.34 C ATOM 1668 NE2 HIS A 101 -32.636 -1.594 -4.494 1.00 33.43 N ATOM 0 H HIS A 101 -28.512 -4.078 -6.103 1.00 62.11 H new ATOM 0 HA HIS A 101 -30.301 -5.619 -4.296 1.00 3.20 H new ATOM 0 HB2 HIS A 101 -30.953 -4.331 -6.972 1.00 52.44 H new ATOM 0 HB3 HIS A 101 -32.023 -5.387 -6.071 1.00 52.44 H new ATOM 0 HD1 HIS A 101 -31.091 -3.987 -3.228 1.00 72.04 H new ATOM 0 HD2 HIS A 101 -32.731 -2.146 -6.615 1.00 43.41 H new ATOM 0 HE1 HIS A 101 -32.131 -1.819 -2.431 1.00 30.34 H new ATOM 1677 N HIS A 102 -29.969 -7.738 -5.552 1.00 15.34 N ATOM 1678 CA HIS A 102 -29.562 -9.016 -6.149 1.00 62.14 C ATOM 1679 C HIS A 102 -30.212 -9.222 -7.527 1.00 50.00 C ATOM 1680 O HIS A 102 -31.268 -9.846 -7.649 1.00 70.32 O ATOM 1681 CB HIS A 102 -29.907 -10.178 -5.205 1.00 34.12 C ATOM 1682 CG HIS A 102 -29.223 -10.103 -3.865 1.00 21.31 C ATOM 1683 ND1 HIS A 102 -29.385 -11.057 -2.885 1.00 63.43 N ATOM 1684 CD2 HIS A 102 -28.371 -9.184 -3.343 1.00 30.21 C ATOM 1685 CE1 HIS A 102 -28.673 -10.732 -1.827 1.00 13.44 C ATOM 1686 NE2 HIS A 102 -28.045 -9.603 -2.076 1.00 2.44 N ATOM 0 H HIS A 102 -30.563 -7.828 -4.727 1.00 15.34 H new ATOM 0 HA HIS A 102 -28.482 -8.993 -6.295 1.00 62.14 H new ATOM 0 HB2 HIS A 102 -30.986 -10.199 -5.050 1.00 34.12 H new ATOM 0 HB3 HIS A 102 -29.636 -11.117 -5.688 1.00 34.12 H new ATOM 0 HD2 HIS A 102 -28.015 -8.290 -3.833 1.00 30.21 H new ATOM 0 HE1 HIS A 102 -28.614 -11.297 -0.909 1.00 13.44 H new ATOM 0 HE2 HIS A 102 -27.419 -9.118 -1.433 1.00 2.44 H new ATOM 1695 N HIS A 103 -29.579 -8.667 -8.556 1.00 0.33 N ATOM 1696 CA HIS A 103 -30.106 -8.713 -9.923 1.00 45.01 C ATOM 1697 C HIS A 103 -29.033 -8.303 -10.944 1.00 51.02 C ATOM 1698 O HIS A 103 -28.473 -7.208 -10.861 1.00 33.43 O ATOM 1699 CB HIS A 103 -31.322 -7.781 -10.032 1.00 52.11 C ATOM 1700 CG HIS A 103 -31.835 -7.596 -11.430 1.00 52.32 C ATOM 1701 ND1 HIS A 103 -31.423 -6.572 -12.256 1.00 53.01 N ATOM 1702 CD2 HIS A 103 -32.732 -8.311 -12.147 1.00 52.13 C ATOM 1703 CE1 HIS A 103 -32.041 -6.668 -13.413 1.00 64.43 C ATOM 1704 NE2 HIS A 103 -32.840 -7.712 -13.378 1.00 2.10 N ATOM 0 H HIS A 103 -28.690 -8.174 -8.471 1.00 0.33 H new ATOM 0 HA HIS A 103 -30.407 -9.737 -10.146 1.00 45.01 H new ATOM 0 HB2 HIS A 103 -32.126 -8.178 -9.412 1.00 52.11 H new ATOM 0 HB3 HIS A 103 -31.056 -6.806 -9.623 1.00 52.11 H new ATOM 0 HD2 HIS A 103 -33.264 -9.190 -11.813 1.00 52.13 H new ATOM 0 HE1 HIS A 103 -31.914 -6.000 -14.252 1.00 64.43 H new ATOM 0 HE2 HIS A 103 -33.441 -8.025 -14.140 1.00 2.10 H new ATOM 1713 N HIS A 104 -28.757 -9.175 -11.914 1.00 61.10 N ATOM 1714 CA HIS A 104 -27.780 -8.868 -12.968 1.00 71.02 C ATOM 1715 C HIS A 104 -28.473 -8.230 -14.181 1.00 35.14 C ATOM 1716 O HIS A 104 -29.608 -8.579 -14.511 1.00 25.44 O ATOM 1717 CB HIS A 104 -27.018 -10.136 -13.403 1.00 64.31 C ATOM 1718 CG HIS A 104 -27.829 -11.097 -14.225 1.00 61.14 C ATOM 1719 ND1 HIS A 104 -28.607 -12.092 -13.679 1.00 1.23 N ATOM 1720 CD2 HIS A 104 -27.970 -11.212 -15.567 1.00 50.44 C ATOM 1721 CE1 HIS A 104 -29.189 -12.775 -14.643 1.00 60.23 C ATOM 1722 NE2 HIS A 104 -28.821 -12.260 -15.796 1.00 42.30 N ATOM 0 H HIS A 104 -29.191 -10.095 -11.995 1.00 61.10 H new ATOM 0 HA HIS A 104 -27.062 -8.157 -12.559 1.00 71.02 H new ATOM 0 HB2 HIS A 104 -26.140 -9.839 -13.976 1.00 64.31 H new ATOM 0 HB3 HIS A 104 -26.658 -10.652 -12.513 1.00 64.31 H new ATOM 0 HD2 HIS A 104 -27.499 -10.593 -16.316 1.00 50.44 H new ATOM 0 HE1 HIS A 104 -29.855 -13.615 -14.510 1.00 60.23 H new ATOM 0 HE2 HIS A 104 -29.121 -12.589 -16.714 1.00 42.30 H new ATOM 1731 N HIS A 105 -27.794 -7.297 -14.838 1.00 61.54 N ATOM 1732 CA HIS A 105 -28.338 -6.651 -16.041 1.00 13.23 C ATOM 1733 C HIS A 105 -28.195 -7.566 -17.278 1.00 1.43 C ATOM 1734 O HIS A 105 -27.086 -7.632 -17.857 1.00 38.22 O ATOM 1735 CB HIS A 105 -27.641 -5.303 -16.276 1.00 54.03 C ATOM 1736 CG HIS A 105 -28.243 -4.500 -17.390 1.00 51.40 C ATOM 1737 ND1 HIS A 105 -27.574 -4.205 -18.558 1.00 33.35 N ATOM 1738 CD2 HIS A 105 -29.461 -3.914 -17.502 1.00 45.44 C ATOM 1739 CE1 HIS A 105 -28.349 -3.478 -19.335 1.00 3.44 C ATOM 1740 NE2 HIS A 105 -29.496 -3.286 -18.721 1.00 35.01 N ATOM 1741 OXT HIS A 105 -29.188 -8.223 -17.659 1.00 38.22 O ATOM 0 H HIS A 105 -26.868 -6.967 -14.564 1.00 61.54 H new ATOM 0 HA HIS A 105 -29.402 -6.472 -15.884 1.00 13.23 H new ATOM 0 HB2 HIS A 105 -27.680 -4.719 -15.357 1.00 54.03 H new ATOM 0 HB3 HIS A 105 -26.589 -5.482 -16.496 1.00 54.03 H new ATOM 0 HD2 HIS A 105 -30.254 -3.937 -16.769 1.00 45.44 H new ATOM 0 HE1 HIS A 105 -28.087 -3.102 -20.313 1.00 3.44 H new ATOM 0 HE2 HIS A 105 -30.285 -2.756 -19.092 1.00 35.01 H new TER 1750 HIS A 105