USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 CYS SG : rot -144:sc= 1.11 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.687 USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.131 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.452 K(o=0.45,f=-0.98) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0304 (180deg=-0.355) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 26 TYR OH : rot -30:sc= -0.109 USER MOD Single : A 27 GLN : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 29 MET CE :methyl -148:sc= -2.59! (180deg=-3.75) USER MOD Single : A 32 THR OG1 : rot -82:sc= 1.19 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -74:sc= 0.0329 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.16) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 0.41 (180deg=-0.502) USER MOD Single : A 49 GLN : amide:sc= -2.35! C(o=-2.4!,f=-10!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0977 (180deg=-0.416) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00703 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0373 (180deg=-0.252) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 82:sc= 1.12 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0274 (180deg=-0.28) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.256 -2.438 -22.779 1.00 52.23 N ATOM 39 CA THR A 2 -6.405 -1.520 -21.688 1.00 42.23 C ATOM 40 C THR A 2 -7.229 -2.158 -20.566 1.00 62.44 C ATOM 41 O THR A 2 -8.392 -2.518 -20.758 1.00 54.42 O ATOM 42 CB THR A 2 -7.089 -0.218 -22.158 1.00 43.32 C ATOM 43 OG1 THR A 2 -6.376 0.338 -23.291 1.00 53.25 O ATOM 44 CG2 THR A 2 -7.113 0.813 -21.038 1.00 10.12 C ATOM 0 HA THR A 2 -5.411 -1.278 -21.311 1.00 42.23 H new ATOM 0 HB THR A 2 -8.112 -0.460 -22.446 1.00 43.32 H new ATOM 0 HG1 THR A 2 -5.974 -0.388 -23.813 1.00 53.25 H new ATOM 0 HG21 THR A 2 -7.599 1.722 -21.391 1.00 10.12 H new ATOM 0 HG22 THR A 2 -7.665 0.413 -20.187 1.00 10.12 H new ATOM 0 HG23 THR A 2 -6.092 1.043 -20.733 1.00 10.12 H new ATOM 52 N VAL A 3 -6.618 -2.313 -19.415 1.00 21.41 N ATOM 53 CA VAL A 3 -7.286 -2.866 -18.257 1.00 51.33 C ATOM 54 C VAL A 3 -7.411 -1.771 -17.207 1.00 22.21 C ATOM 55 O VAL A 3 -6.471 -0.994 -17.008 1.00 63.43 O ATOM 56 CB VAL A 3 -6.488 -4.044 -17.632 1.00 4.04 C ATOM 57 CG1 VAL A 3 -7.266 -4.701 -16.539 1.00 23.13 C ATOM 58 CG2 VAL A 3 -6.086 -5.076 -18.645 1.00 32.20 C ATOM 0 H VAL A 3 -5.643 -2.060 -19.253 1.00 21.41 H new ATOM 0 HA VAL A 3 -8.259 -3.240 -18.575 1.00 51.33 H new ATOM 0 HB VAL A 3 -5.578 -3.606 -17.222 1.00 4.04 H new ATOM 0 HG11 VAL A 3 -6.683 -5.521 -16.120 1.00 23.13 H new ATOM 0 HG12 VAL A 3 -7.481 -3.973 -15.757 1.00 23.13 H new ATOM 0 HG13 VAL A 3 -8.202 -5.089 -16.941 1.00 23.13 H new ATOM 0 HG21 VAL A 3 -5.532 -5.874 -18.151 1.00 32.20 H new ATOM 0 HG22 VAL A 3 -6.978 -5.491 -19.116 1.00 32.20 H new ATOM 0 HG23 VAL A 3 -5.456 -4.614 -19.405 1.00 32.20 H new ATOM 68 N TYR A 4 -8.547 -1.688 -16.563 1.00 13.53 N ATOM 69 CA TYR A 4 -8.766 -0.703 -15.531 1.00 72.23 C ATOM 70 C TYR A 4 -8.727 -1.388 -14.148 1.00 15.34 C ATOM 71 O TYR A 4 -9.355 -2.440 -13.951 1.00 50.45 O ATOM 72 CB TYR A 4 -10.104 0.001 -15.772 1.00 4.03 C ATOM 73 CG TYR A 4 -10.201 0.690 -17.140 1.00 52.50 C ATOM 74 CD1 TYR A 4 -10.521 -0.036 -18.287 1.00 61.41 C ATOM 75 CD2 TYR A 4 -9.978 2.051 -17.278 1.00 52.23 C ATOM 76 CE1 TYR A 4 -10.615 0.574 -19.520 1.00 23.43 C ATOM 77 CE2 TYR A 4 -10.070 2.672 -18.518 1.00 73.33 C ATOM 78 CZ TYR A 4 -10.389 1.925 -19.633 1.00 73.44 C ATOM 79 OH TYR A 4 -10.485 2.538 -20.874 1.00 54.33 O ATOM 0 H TYR A 4 -9.345 -2.299 -16.737 1.00 13.53 H new ATOM 0 HA TYR A 4 -7.978 0.050 -15.557 1.00 72.23 H new ATOM 0 HB2 TYR A 4 -10.909 -0.728 -15.685 1.00 4.03 H new ATOM 0 HB3 TYR A 4 -10.260 0.743 -14.989 1.00 4.03 H new ATOM 0 HD1 TYR A 4 -10.699 -1.098 -18.208 1.00 61.41 H new ATOM 0 HD2 TYR A 4 -9.728 2.639 -16.407 1.00 52.23 H new ATOM 0 HE1 TYR A 4 -10.866 -0.008 -20.394 1.00 23.43 H new ATOM 0 HE2 TYR A 4 -9.893 3.734 -18.608 1.00 73.33 H new ATOM 0 HH TYR A 4 -10.297 3.495 -20.781 1.00 54.33 H new ATOM 89 N ILE A 5 -7.966 -0.815 -13.216 1.00 32.53 N ATOM 90 CA ILE A 5 -7.785 -1.394 -11.882 1.00 13.05 C ATOM 91 C ILE A 5 -8.283 -0.469 -10.783 1.00 61.24 C ATOM 92 O ILE A 5 -7.785 0.620 -10.614 1.00 62.01 O ATOM 93 CB ILE A 5 -6.268 -1.758 -11.550 1.00 51.14 C ATOM 94 CG1 ILE A 5 -5.698 -2.832 -12.476 1.00 21.14 C ATOM 95 CG2 ILE A 5 -6.127 -2.240 -10.116 1.00 72.44 C ATOM 96 CD1 ILE A 5 -5.461 -2.403 -13.916 1.00 33.02 C ATOM 0 H ILE A 5 -7.460 0.058 -13.361 1.00 32.53 H new ATOM 0 HA ILE A 5 -8.376 -2.310 -11.906 1.00 13.05 H new ATOM 0 HB ILE A 5 -5.704 -0.838 -11.701 1.00 51.14 H new ATOM 0 HG12 ILE A 5 -4.753 -3.180 -12.060 1.00 21.14 H new ATOM 0 HG13 ILE A 5 -6.379 -3.683 -12.477 1.00 21.14 H new ATOM 0 HG21 ILE A 5 -5.083 -2.482 -9.914 1.00 72.44 H new ATOM 0 HG22 ILE A 5 -6.456 -1.455 -9.434 1.00 72.44 H new ATOM 0 HG23 ILE A 5 -6.740 -3.129 -9.969 1.00 72.44 H new ATOM 0 HD11 ILE A 5 -5.056 -3.241 -14.483 1.00 33.02 H new ATOM 0 HD12 ILE A 5 -6.404 -2.085 -14.361 1.00 33.02 H new ATOM 0 HD13 ILE A 5 -4.753 -1.575 -13.937 1.00 33.02 H new ATOM 108 N CYS A 6 -9.264 -0.907 -10.062 1.00 70.12 N ATOM 109 CA CYS A 6 -9.720 -0.229 -8.888 1.00 25.10 C ATOM 110 C CYS A 6 -9.744 -1.226 -7.732 1.00 3.05 C ATOM 111 O CYS A 6 -10.694 -2.004 -7.609 1.00 54.34 O ATOM 112 CB CYS A 6 -11.092 0.417 -9.083 1.00 53.31 C ATOM 113 SG CYS A 6 -11.716 1.303 -7.634 1.00 24.02 S ATOM 0 H CYS A 6 -9.781 -1.760 -10.275 1.00 70.12 H new ATOM 0 HA CYS A 6 -9.032 0.587 -8.667 1.00 25.10 H new ATOM 0 HB2 CYS A 6 -11.037 1.111 -9.922 1.00 53.31 H new ATOM 0 HB3 CYS A 6 -11.809 -0.357 -9.356 1.00 53.31 H new ATOM 0 HG CYS A 6 -13.005 1.151 -7.554 1.00 24.02 H new ATOM 119 N PRO A 7 -8.689 -1.265 -6.895 1.00 55.22 N ATOM 120 CA PRO A 7 -8.621 -2.191 -5.739 1.00 52.01 C ATOM 121 C PRO A 7 -9.691 -1.904 -4.683 1.00 72.02 C ATOM 122 O PRO A 7 -9.930 -2.718 -3.774 1.00 11.31 O ATOM 123 CB PRO A 7 -7.225 -1.931 -5.150 1.00 71.04 C ATOM 124 CG PRO A 7 -6.829 -0.587 -5.661 1.00 50.04 C ATOM 125 CD PRO A 7 -7.454 -0.456 -7.017 1.00 44.34 C ATOM 0 HA PRO A 7 -8.792 -3.222 -6.047 1.00 52.01 H new ATOM 0 HB2 PRO A 7 -7.248 -1.947 -4.060 1.00 71.04 H new ATOM 0 HB3 PRO A 7 -6.516 -2.697 -5.465 1.00 71.04 H new ATOM 0 HG2 PRO A 7 -7.177 0.201 -4.994 1.00 50.04 H new ATOM 0 HG3 PRO A 7 -5.744 -0.497 -5.722 1.00 50.04 H new ATOM 0 HD2 PRO A 7 -7.675 0.583 -7.261 1.00 44.34 H new ATOM 0 HD3 PRO A 7 -6.799 -0.835 -7.801 1.00 44.34 H new ATOM 133 N GLU A 8 -10.336 -0.775 -4.818 1.00 35.14 N ATOM 134 CA GLU A 8 -11.295 -0.313 -3.854 1.00 34.41 C ATOM 135 C GLU A 8 -12.681 -0.852 -4.128 1.00 1.12 C ATOM 136 O GLU A 8 -13.169 -1.741 -3.427 1.00 10.14 O ATOM 137 CB GLU A 8 -11.354 1.201 -3.883 1.00 53.31 C ATOM 138 CG GLU A 8 -10.018 1.858 -3.719 1.00 0.33 C ATOM 139 CD GLU A 8 -9.348 1.513 -2.409 1.00 45.23 C ATOM 140 OE1 GLU A 8 -9.665 2.153 -1.385 1.00 12.11 O ATOM 141 OE2 GLU A 8 -8.500 0.604 -2.378 1.00 32.05 O ATOM 0 H GLU A 8 -10.208 -0.145 -5.610 1.00 35.14 H new ATOM 0 HA GLU A 8 -10.972 -0.673 -2.877 1.00 34.41 H new ATOM 0 HB2 GLU A 8 -11.793 1.521 -4.828 1.00 53.31 H new ATOM 0 HB3 GLU A 8 -12.018 1.545 -3.090 1.00 53.31 H new ATOM 0 HG2 GLU A 8 -9.369 1.560 -4.542 1.00 0.33 H new ATOM 0 HG3 GLU A 8 -10.140 2.939 -3.785 1.00 0.33 H new ATOM 148 N THR A 9 -13.301 -0.325 -5.150 1.00 34.12 N ATOM 149 CA THR A 9 -14.665 -0.634 -5.444 1.00 14.12 C ATOM 150 C THR A 9 -14.819 -1.668 -6.557 1.00 43.11 C ATOM 151 O THR A 9 -15.937 -2.078 -6.889 1.00 40.02 O ATOM 152 CB THR A 9 -15.435 0.666 -5.752 1.00 62.04 C ATOM 153 OG1 THR A 9 -14.730 1.408 -6.763 1.00 70.30 O ATOM 154 CG2 THR A 9 -15.543 1.523 -4.500 1.00 64.22 C ATOM 0 H THR A 9 -12.869 0.331 -5.800 1.00 34.12 H new ATOM 0 HA THR A 9 -15.098 -1.101 -4.560 1.00 14.12 H new ATOM 0 HB THR A 9 -16.435 0.409 -6.101 1.00 62.04 H new ATOM 0 HG1 THR A 9 -15.218 2.234 -6.962 1.00 70.30 H new ATOM 0 HG21 THR A 9 -16.089 2.438 -4.731 1.00 64.22 H new ATOM 0 HG22 THR A 9 -16.074 0.970 -3.725 1.00 64.22 H new ATOM 0 HG23 THR A 9 -14.544 1.776 -4.145 1.00 64.22 H new ATOM 162 N GLY A 10 -13.708 -2.093 -7.127 1.00 71.33 N ATOM 163 CA GLY A 10 -13.780 -3.135 -8.131 1.00 52.23 C ATOM 164 C GLY A 10 -13.325 -4.458 -7.556 1.00 62.45 C ATOM 165 O GLY A 10 -13.161 -4.588 -6.334 1.00 11.31 O ATOM 0 H GLY A 10 -12.772 -1.745 -6.920 1.00 71.33 H new ATOM 0 HA2 GLY A 10 -14.802 -3.224 -8.498 1.00 52.23 H new ATOM 0 HA3 GLY A 10 -13.156 -2.869 -8.985 1.00 52.23 H new ATOM 169 N ASP A 11 -13.079 -5.414 -8.410 1.00 25.21 N ATOM 170 CA ASP A 11 -12.729 -6.758 -8.007 1.00 5.55 C ATOM 171 C ASP A 11 -12.025 -7.426 -9.160 1.00 75.25 C ATOM 172 O ASP A 11 -12.306 -7.117 -10.311 1.00 64.24 O ATOM 173 CB ASP A 11 -13.969 -7.562 -7.623 1.00 72.22 C ATOM 174 CG ASP A 11 -13.596 -8.896 -7.036 1.00 43.23 C ATOM 175 OD1 ASP A 11 -13.359 -8.961 -5.818 1.00 42.11 O ATOM 176 OD2 ASP A 11 -13.504 -9.879 -7.789 1.00 25.42 O ATOM 0 H ASP A 11 -13.115 -5.284 -9.421 1.00 25.21 H new ATOM 0 HA ASP A 11 -12.081 -6.713 -7.132 1.00 5.55 H new ATOM 0 HB2 ASP A 11 -14.562 -6.998 -6.903 1.00 72.22 H new ATOM 0 HB3 ASP A 11 -14.595 -7.712 -8.503 1.00 72.22 H new ATOM 181 N ASP A 12 -11.105 -8.322 -8.882 1.00 20.12 N ATOM 182 CA ASP A 12 -10.330 -8.939 -9.965 1.00 70.11 C ATOM 183 C ASP A 12 -11.095 -10.049 -10.676 1.00 34.10 C ATOM 184 O ASP A 12 -10.615 -10.602 -11.656 1.00 41.12 O ATOM 185 CB ASP A 12 -8.951 -9.430 -9.520 1.00 63.01 C ATOM 186 CG ASP A 12 -8.984 -10.593 -8.572 1.00 13.40 C ATOM 187 OD1 ASP A 12 -9.067 -11.737 -9.034 1.00 51.25 O ATOM 188 OD2 ASP A 12 -8.868 -10.379 -7.361 1.00 32.30 O ATOM 0 H ASP A 12 -10.869 -8.642 -7.943 1.00 20.12 H new ATOM 0 HA ASP A 12 -10.166 -8.136 -10.683 1.00 70.11 H new ATOM 0 HB2 ASP A 12 -8.377 -9.712 -10.403 1.00 63.01 H new ATOM 0 HB3 ASP A 12 -8.421 -8.605 -9.045 1.00 63.01 H new ATOM 193 N GLY A 13 -12.284 -10.359 -10.195 1.00 70.00 N ATOM 194 CA GLY A 13 -13.119 -11.339 -10.859 1.00 45.14 C ATOM 195 C GLY A 13 -13.882 -10.717 -12.012 1.00 13.21 C ATOM 196 O GLY A 13 -14.637 -11.391 -12.715 1.00 30.11 O ATOM 0 H GLY A 13 -12.690 -9.950 -9.354 1.00 70.00 H new ATOM 0 HA2 GLY A 13 -12.501 -12.157 -11.228 1.00 45.14 H new ATOM 0 HA3 GLY A 13 -13.821 -11.767 -10.144 1.00 45.14 H new ATOM 200 N ASN A 14 -13.672 -9.426 -12.198 1.00 60.23 N ATOM 201 CA ASN A 14 -14.295 -8.667 -13.266 1.00 75.54 C ATOM 202 C ASN A 14 -13.543 -8.844 -14.578 1.00 23.51 C ATOM 203 O ASN A 14 -12.562 -9.587 -14.654 1.00 12.23 O ATOM 204 CB ASN A 14 -14.351 -7.177 -12.905 1.00 0.31 C ATOM 205 CG ASN A 14 -15.325 -6.844 -11.787 1.00 41.44 C ATOM 206 OD1 ASN A 14 -16.346 -7.502 -11.615 1.00 50.31 O ATOM 207 ND2 ASN A 14 -15.023 -5.817 -11.030 1.00 31.33 N ATOM 0 H ASN A 14 -13.057 -8.869 -11.604 1.00 60.23 H new ATOM 0 HA ASN A 14 -15.309 -9.046 -13.391 1.00 75.54 H new ATOM 0 HB2 ASN A 14 -13.354 -6.847 -12.613 1.00 0.31 H new ATOM 0 HB3 ASN A 14 -14.627 -6.609 -13.794 1.00 0.31 H new ATOM 0 HD21 ASN A 14 -15.646 -5.543 -10.270 1.00 31.33 H new ATOM 0 HD22 ASN A 14 -14.165 -5.292 -11.201 1.00 31.33 H new ATOM 214 N ASP A 15 -13.998 -8.145 -15.611 1.00 45.20 N ATOM 215 CA ASP A 15 -13.386 -8.227 -16.952 1.00 25.13 C ATOM 216 C ASP A 15 -12.314 -7.176 -17.116 1.00 42.30 C ATOM 217 O ASP A 15 -11.667 -7.089 -18.158 1.00 62.55 O ATOM 218 CB ASP A 15 -14.439 -7.995 -18.041 1.00 54.14 C ATOM 219 CG ASP A 15 -15.591 -8.943 -17.971 1.00 1.30 C ATOM 220 OD1 ASP A 15 -15.519 -10.036 -18.549 1.00 21.22 O ATOM 221 OD2 ASP A 15 -16.600 -8.604 -17.337 1.00 25.53 O ATOM 0 H ASP A 15 -14.793 -7.509 -15.555 1.00 45.20 H new ATOM 0 HA ASP A 15 -12.954 -9.223 -17.050 1.00 25.13 H new ATOM 0 HB2 ASP A 15 -14.814 -6.975 -17.961 1.00 54.14 H new ATOM 0 HB3 ASP A 15 -13.965 -8.084 -19.018 1.00 54.14 H new ATOM 226 N GLY A 16 -12.123 -6.381 -16.084 1.00 11.13 N ATOM 227 CA GLY A 16 -11.177 -5.290 -16.150 1.00 64.23 C ATOM 228 C GLY A 16 -11.635 -4.143 -17.024 1.00 55.31 C ATOM 229 O GLY A 16 -10.810 -3.397 -17.570 1.00 52.23 O ATOM 0 H GLY A 16 -12.610 -6.470 -15.192 1.00 11.13 H new ATOM 0 HA2 GLY A 16 -10.994 -4.917 -15.142 1.00 64.23 H new ATOM 0 HA3 GLY A 16 -10.227 -5.667 -16.528 1.00 64.23 H new ATOM 233 N SER A 17 -12.929 -4.010 -17.159 1.00 21.04 N ATOM 234 CA SER A 17 -13.536 -2.937 -17.906 1.00 11.52 C ATOM 235 C SER A 17 -13.436 -1.648 -17.076 1.00 22.00 C ATOM 236 O SER A 17 -13.091 -1.703 -15.901 1.00 62.52 O ATOM 237 CB SER A 17 -15.015 -3.301 -18.182 1.00 63.25 C ATOM 238 OG SER A 17 -15.710 -2.268 -18.856 1.00 22.13 O ATOM 0 H SER A 17 -13.603 -4.655 -16.746 1.00 21.04 H new ATOM 0 HA SER A 17 -13.028 -2.785 -18.858 1.00 11.52 H new ATOM 0 HB2 SER A 17 -15.056 -4.212 -18.779 1.00 63.25 H new ATOM 0 HB3 SER A 17 -15.516 -3.515 -17.238 1.00 63.25 H new ATOM 0 HG SER A 17 -16.638 -2.544 -19.010 1.00 22.13 H new ATOM 244 N GLU A 18 -13.736 -0.502 -17.672 1.00 2.23 N ATOM 245 CA GLU A 18 -13.715 0.743 -16.941 1.00 4.40 C ATOM 246 C GLU A 18 -14.831 0.695 -15.893 1.00 35.44 C ATOM 247 O GLU A 18 -14.701 1.216 -14.789 1.00 15.44 O ATOM 248 CB GLU A 18 -13.952 1.918 -17.891 1.00 5.44 C ATOM 249 CG GLU A 18 -13.719 3.269 -17.262 1.00 23.32 C ATOM 250 CD GLU A 18 -14.092 4.413 -18.168 1.00 20.44 C ATOM 251 OE1 GLU A 18 -13.264 4.844 -18.999 1.00 4.10 O ATOM 252 OE2 GLU A 18 -15.226 4.908 -18.062 1.00 25.22 O ATOM 0 H GLU A 18 -13.995 -0.416 -18.655 1.00 2.23 H new ATOM 0 HA GLU A 18 -12.745 0.878 -16.462 1.00 4.40 H new ATOM 0 HB2 GLU A 18 -13.296 1.812 -18.755 1.00 5.44 H new ATOM 0 HB3 GLU A 18 -14.976 1.872 -18.261 1.00 5.44 H new ATOM 0 HG2 GLU A 18 -14.297 3.339 -16.341 1.00 23.32 H new ATOM 0 HG3 GLU A 18 -12.668 3.359 -16.986 1.00 23.32 H new ATOM 259 N LEU A 19 -15.920 0.030 -16.263 1.00 60.35 N ATOM 260 CA LEU A 19 -17.067 -0.129 -15.403 1.00 3.11 C ATOM 261 C LEU A 19 -16.870 -1.289 -14.444 1.00 21.33 C ATOM 262 O LEU A 19 -17.522 -1.374 -13.412 1.00 51.41 O ATOM 263 CB LEU A 19 -18.338 -0.363 -16.231 1.00 60.54 C ATOM 264 CG LEU A 19 -18.802 0.771 -17.151 1.00 61.45 C ATOM 265 CD1 LEU A 19 -18.969 2.079 -16.393 1.00 23.20 C ATOM 266 CD2 LEU A 19 -17.915 0.939 -18.384 1.00 33.14 C ATOM 0 H LEU A 19 -16.024 -0.413 -17.176 1.00 60.35 H new ATOM 0 HA LEU A 19 -17.177 0.791 -14.828 1.00 3.11 H new ATOM 0 HB2 LEU A 19 -18.181 -1.251 -16.844 1.00 60.54 H new ATOM 0 HB3 LEU A 19 -19.151 -0.591 -15.542 1.00 60.54 H new ATOM 0 HG LEU A 19 -19.785 0.479 -17.522 1.00 61.45 H new ATOM 0 HD11 LEU A 19 -19.299 2.858 -17.080 1.00 23.20 H new ATOM 0 HD12 LEU A 19 -19.712 1.951 -15.606 1.00 23.20 H new ATOM 0 HD13 LEU A 19 -18.016 2.367 -15.949 1.00 23.20 H new ATOM 0 HD21 LEU A 19 -18.294 1.757 -18.996 1.00 33.14 H new ATOM 0 HD22 LEU A 19 -16.895 1.163 -18.071 1.00 33.14 H new ATOM 0 HD23 LEU A 19 -17.922 0.017 -18.965 1.00 33.14 H new ATOM 278 N LYS A 20 -15.951 -2.170 -14.778 1.00 24.13 N ATOM 279 CA LYS A 20 -15.682 -3.355 -13.963 1.00 12.23 C ATOM 280 C LYS A 20 -14.209 -3.472 -13.752 1.00 15.31 C ATOM 281 O LYS A 20 -13.555 -4.327 -14.359 1.00 52.45 O ATOM 282 CB LYS A 20 -16.162 -4.621 -14.658 1.00 52.00 C ATOM 283 CG LYS A 20 -17.611 -4.586 -15.088 1.00 60.14 C ATOM 284 CD LYS A 20 -17.997 -5.865 -15.793 1.00 41.44 C ATOM 285 CE LYS A 20 -19.470 -5.876 -16.140 1.00 60.02 C ATOM 286 NZ LYS A 20 -20.322 -5.851 -14.929 1.00 34.44 N ATOM 0 H LYS A 20 -15.369 -2.094 -15.613 1.00 24.13 H new ATOM 0 HA LYS A 20 -16.211 -3.246 -13.016 1.00 12.23 H new ATOM 0 HB2 LYS A 20 -15.539 -4.798 -15.535 1.00 52.00 H new ATOM 0 HB3 LYS A 20 -16.015 -5.467 -13.987 1.00 52.00 H new ATOM 0 HG2 LYS A 20 -18.249 -4.440 -14.217 1.00 60.14 H new ATOM 0 HG3 LYS A 20 -17.777 -3.737 -15.751 1.00 60.14 H new ATOM 0 HD2 LYS A 20 -17.406 -5.975 -16.702 1.00 41.44 H new ATOM 0 HD3 LYS A 20 -17.764 -6.719 -15.156 1.00 41.44 H new ATOM 0 HE2 LYS A 20 -19.702 -5.014 -16.765 1.00 60.02 H new ATOM 0 HE3 LYS A 20 -19.698 -6.766 -16.726 1.00 60.02 H new ATOM 0 HZ1 LYS A 20 -21.288 -6.145 -15.178 1.00 34.44 H new ATOM 0 HZ2 LYS A 20 -19.934 -6.503 -14.218 1.00 34.44 H new ATOM 0 HZ3 LYS A 20 -20.344 -4.887 -14.540 1.00 34.44 H new ATOM 300 N PRO A 21 -13.645 -2.615 -12.937 1.00 72.23 N ATOM 301 CA PRO A 21 -12.231 -2.608 -12.729 1.00 24.10 C ATOM 302 C PRO A 21 -11.779 -3.778 -11.883 1.00 74.33 C ATOM 303 O PRO A 21 -12.535 -4.288 -11.025 1.00 62.31 O ATOM 304 CB PRO A 21 -11.978 -1.288 -12.022 1.00 53.15 C ATOM 305 CG PRO A 21 -13.258 -0.956 -11.338 1.00 22.33 C ATOM 306 CD PRO A 21 -14.342 -1.580 -12.142 1.00 55.14 C ATOM 0 HA PRO A 21 -11.675 -2.704 -13.662 1.00 24.10 H new ATOM 0 HB2 PRO A 21 -11.161 -1.376 -11.306 1.00 53.15 H new ATOM 0 HB3 PRO A 21 -11.698 -0.509 -12.731 1.00 53.15 H new ATOM 0 HG2 PRO A 21 -13.263 -1.339 -10.317 1.00 22.33 H new ATOM 0 HG3 PRO A 21 -13.395 0.123 -11.274 1.00 22.33 H new ATOM 0 HD2 PRO A 21 -15.111 -2.016 -11.505 1.00 55.14 H new ATOM 0 HD3 PRO A 21 -14.836 -0.849 -12.783 1.00 55.14 H new ATOM 314 N LEU A 22 -10.579 -4.224 -12.137 1.00 2.20 N ATOM 315 CA LEU A 22 -9.993 -5.303 -11.390 1.00 24.31 C ATOM 316 C LEU A 22 -9.481 -4.754 -10.105 1.00 73.55 C ATOM 317 O LEU A 22 -9.217 -3.577 -10.012 1.00 54.32 O ATOM 318 CB LEU A 22 -8.851 -5.941 -12.167 1.00 64.23 C ATOM 319 CG LEU A 22 -9.213 -6.533 -13.517 1.00 72.50 C ATOM 320 CD1 LEU A 22 -7.993 -7.093 -14.184 1.00 12.33 C ATOM 321 CD2 LEU A 22 -10.274 -7.602 -13.379 1.00 1.53 C ATOM 0 H LEU A 22 -9.978 -3.848 -12.870 1.00 2.20 H new ATOM 0 HA LEU A 22 -10.745 -6.070 -11.207 1.00 24.31 H new ATOM 0 HB2 LEU A 22 -8.076 -5.189 -12.318 1.00 64.23 H new ATOM 0 HB3 LEU A 22 -8.415 -6.729 -11.552 1.00 64.23 H new ATOM 0 HG LEU A 22 -9.619 -5.734 -14.137 1.00 72.50 H new ATOM 0 HD11 LEU A 22 -8.268 -7.514 -15.151 1.00 12.33 H new ATOM 0 HD12 LEU A 22 -7.261 -6.299 -14.329 1.00 12.33 H new ATOM 0 HD13 LEU A 22 -7.562 -7.874 -13.558 1.00 12.33 H new ATOM 0 HD21 LEU A 22 -10.512 -8.007 -14.362 1.00 1.53 H new ATOM 0 HD22 LEU A 22 -9.904 -8.401 -12.737 1.00 1.53 H new ATOM 0 HD23 LEU A 22 -11.172 -7.169 -12.938 1.00 1.53 H new ATOM 333 N ARG A 23 -9.345 -5.572 -9.114 1.00 15.44 N ATOM 334 CA ARG A 23 -8.878 -5.065 -7.851 1.00 35.11 C ATOM 335 C ARG A 23 -7.376 -5.225 -7.740 1.00 3.30 C ATOM 336 O ARG A 23 -6.741 -4.653 -6.859 1.00 30.31 O ATOM 337 CB ARG A 23 -9.597 -5.731 -6.687 1.00 24.32 C ATOM 338 CG ARG A 23 -9.295 -7.194 -6.504 1.00 31.15 C ATOM 339 CD ARG A 23 -10.041 -7.775 -5.326 1.00 51.34 C ATOM 340 NE ARG A 23 -9.788 -9.207 -5.197 1.00 21.11 N ATOM 341 CZ ARG A 23 -10.059 -9.939 -4.124 1.00 52.31 C ATOM 342 NH1 ARG A 23 -10.551 -9.369 -3.026 1.00 61.20 N ATOM 343 NH2 ARG A 23 -9.821 -11.239 -4.144 1.00 22.23 N ATOM 0 H ARG A 23 -9.543 -6.572 -9.143 1.00 15.44 H new ATOM 0 HA ARG A 23 -9.109 -4.001 -7.804 1.00 35.11 H new ATOM 0 HB2 ARG A 23 -9.336 -5.204 -5.769 1.00 24.32 H new ATOM 0 HB3 ARG A 23 -10.671 -5.612 -6.828 1.00 24.32 H new ATOM 0 HG2 ARG A 23 -9.565 -7.737 -7.410 1.00 31.15 H new ATOM 0 HG3 ARG A 23 -8.223 -7.329 -6.359 1.00 31.15 H new ATOM 0 HD2 ARG A 23 -9.737 -7.265 -4.412 1.00 51.34 H new ATOM 0 HD3 ARG A 23 -11.110 -7.601 -5.447 1.00 51.34 H new ATOM 0 HE ARG A 23 -9.369 -9.683 -5.996 1.00 21.11 H new ATOM 0 HH11 ARG A 23 -10.722 -8.364 -3.006 1.00 61.20 H new ATOM 0 HH12 ARG A 23 -10.757 -9.938 -2.205 1.00 61.20 H new ATOM 0 HH21 ARG A 23 -9.431 -11.673 -4.981 1.00 22.23 H new ATOM 0 HH22 ARG A 23 -10.027 -11.808 -3.323 1.00 22.23 H new ATOM 357 N THR A 24 -6.807 -5.991 -8.638 1.00 2.34 N ATOM 358 CA THR A 24 -5.402 -6.196 -8.637 1.00 52.03 C ATOM 359 C THR A 24 -4.830 -5.927 -10.003 1.00 33.40 C ATOM 360 O THR A 24 -5.468 -6.198 -11.036 1.00 1.51 O ATOM 361 CB THR A 24 -5.018 -7.634 -8.186 1.00 35.53 C ATOM 362 OG1 THR A 24 -5.728 -8.610 -8.971 1.00 1.41 O ATOM 363 CG2 THR A 24 -5.296 -7.854 -6.705 1.00 61.05 C ATOM 0 H THR A 24 -7.310 -6.480 -9.378 1.00 2.34 H new ATOM 0 HA THR A 24 -4.980 -5.495 -7.917 1.00 52.03 H new ATOM 0 HB THR A 24 -3.946 -7.753 -8.345 1.00 35.53 H new ATOM 0 HG1 THR A 24 -5.476 -9.511 -8.679 1.00 1.41 H new ATOM 0 HG21 THR A 24 -5.014 -8.870 -6.429 1.00 61.05 H new ATOM 0 HG22 THR A 24 -4.715 -7.144 -6.116 1.00 61.05 H new ATOM 0 HG23 THR A 24 -6.358 -7.706 -6.508 1.00 61.05 H new ATOM 371 N LEU A 25 -3.645 -5.400 -10.006 1.00 1.31 N ATOM 372 CA LEU A 25 -2.900 -5.154 -11.202 1.00 74.41 C ATOM 373 C LEU A 25 -2.325 -6.484 -11.678 1.00 70.55 C ATOM 374 O LEU A 25 -1.987 -6.666 -12.855 1.00 22.05 O ATOM 375 CB LEU A 25 -1.813 -4.124 -10.898 1.00 1.13 C ATOM 376 CG LEU A 25 -0.904 -3.702 -12.038 1.00 55.31 C ATOM 377 CD1 LEU A 25 -1.720 -3.210 -13.221 1.00 14.25 C ATOM 378 CD2 LEU A 25 0.025 -2.611 -11.552 1.00 52.35 C ATOM 0 H LEU A 25 -3.156 -5.122 -9.155 1.00 1.31 H new ATOM 0 HA LEU A 25 -3.524 -4.747 -11.997 1.00 74.41 H new ATOM 0 HB2 LEU A 25 -2.298 -3.230 -10.507 1.00 1.13 H new ATOM 0 HB3 LEU A 25 -1.187 -4.522 -10.099 1.00 1.13 H new ATOM 0 HG LEU A 25 -0.319 -4.561 -12.367 1.00 55.31 H new ATOM 0 HD11 LEU A 25 -1.049 -2.912 -14.027 1.00 14.25 H new ATOM 0 HD12 LEU A 25 -2.374 -4.009 -13.570 1.00 14.25 H new ATOM 0 HD13 LEU A 25 -2.323 -2.355 -12.916 1.00 14.25 H new ATOM 0 HD21 LEU A 25 0.681 -2.303 -12.366 1.00 52.35 H new ATOM 0 HD22 LEU A 25 -0.562 -1.756 -11.216 1.00 52.35 H new ATOM 0 HD23 LEU A 25 0.626 -2.987 -10.724 1.00 52.35 H new ATOM 390 N TYR A 26 -2.244 -7.410 -10.738 1.00 61.14 N ATOM 391 CA TYR A 26 -1.848 -8.771 -10.999 1.00 33.13 C ATOM 392 C TYR A 26 -2.787 -9.429 -12.021 1.00 54.13 C ATOM 393 O TYR A 26 -2.328 -10.001 -13.010 1.00 65.51 O ATOM 394 CB TYR A 26 -1.813 -9.566 -9.677 1.00 61.05 C ATOM 395 CG TYR A 26 -1.552 -11.042 -9.850 1.00 55.41 C ATOM 396 CD1 TYR A 26 -0.489 -11.480 -10.593 1.00 33.02 C ATOM 397 CD2 TYR A 26 -2.402 -11.993 -9.299 1.00 24.31 C ATOM 398 CE1 TYR A 26 -0.254 -12.808 -10.782 1.00 74.34 C ATOM 399 CE2 TYR A 26 -2.183 -13.341 -9.491 1.00 14.42 C ATOM 400 CZ TYR A 26 -1.100 -13.746 -10.233 1.00 1.32 C ATOM 401 OH TYR A 26 -0.869 -15.094 -10.441 1.00 21.41 O ATOM 0 H TYR A 26 -2.457 -7.228 -9.757 1.00 61.14 H new ATOM 0 HA TYR A 26 -0.847 -8.772 -11.431 1.00 33.13 H new ATOM 0 HB2 TYR A 26 -1.041 -9.145 -9.033 1.00 61.05 H new ATOM 0 HB3 TYR A 26 -2.764 -9.435 -9.162 1.00 61.05 H new ATOM 0 HD1 TYR A 26 0.178 -10.757 -11.039 1.00 33.02 H new ATOM 0 HD2 TYR A 26 -3.248 -11.671 -8.710 1.00 24.31 H new ATOM 0 HE1 TYR A 26 0.598 -13.127 -11.364 1.00 74.34 H new ATOM 0 HE2 TYR A 26 -2.855 -14.070 -9.063 1.00 14.42 H new ATOM 0 HH TYR A 26 -0.432 -15.221 -11.309 1.00 21.41 H new ATOM 411 N GLN A 27 -4.100 -9.321 -11.798 1.00 53.15 N ATOM 412 CA GLN A 27 -5.071 -9.911 -12.715 1.00 45.21 C ATOM 413 C GLN A 27 -4.984 -9.254 -14.091 1.00 13.45 C ATOM 414 O GLN A 27 -5.116 -9.920 -15.110 1.00 53.22 O ATOM 415 CB GLN A 27 -6.499 -9.839 -12.146 1.00 22.13 C ATOM 416 CG GLN A 27 -7.580 -10.468 -13.042 1.00 31.12 C ATOM 417 CD GLN A 27 -7.312 -11.940 -13.347 1.00 53.32 C ATOM 418 OE1 GLN A 27 -6.710 -12.662 -12.541 1.00 14.54 O ATOM 419 NE2 GLN A 27 -7.750 -12.387 -14.497 1.00 45.50 N ATOM 0 H GLN A 27 -4.509 -8.836 -10.999 1.00 53.15 H new ATOM 0 HA GLN A 27 -4.824 -10.966 -12.831 1.00 45.21 H new ATOM 0 HB2 GLN A 27 -6.515 -10.337 -11.177 1.00 22.13 H new ATOM 0 HB3 GLN A 27 -6.754 -8.794 -11.972 1.00 22.13 H new ATOM 0 HG2 GLN A 27 -8.550 -10.373 -12.554 1.00 31.12 H new ATOM 0 HG3 GLN A 27 -7.638 -9.912 -13.978 1.00 31.12 H new ATOM 0 HE21 GLN A 27 -8.242 -11.760 -15.134 1.00 45.50 H new ATOM 0 HE22 GLN A 27 -7.599 -13.362 -14.756 1.00 45.50 H new ATOM 428 N ALA A 28 -4.721 -7.948 -14.104 1.00 74.42 N ATOM 429 CA ALA A 28 -4.570 -7.189 -15.323 1.00 2.20 C ATOM 430 C ALA A 28 -3.461 -7.777 -16.196 1.00 34.43 C ATOM 431 O ALA A 28 -3.613 -7.909 -17.419 1.00 41.53 O ATOM 432 CB ALA A 28 -4.284 -5.742 -14.984 1.00 3.35 C ATOM 0 H ALA A 28 -4.608 -7.392 -13.257 1.00 74.42 H new ATOM 0 HA ALA A 28 -5.498 -7.242 -15.893 1.00 2.20 H new ATOM 0 HB1 ALA A 28 -4.170 -5.168 -15.904 1.00 3.35 H new ATOM 0 HB2 ALA A 28 -5.111 -5.334 -14.402 1.00 3.35 H new ATOM 0 HB3 ALA A 28 -3.365 -5.680 -14.401 1.00 3.35 H new ATOM 438 N MET A 29 -2.359 -8.153 -15.571 1.00 30.44 N ATOM 439 CA MET A 29 -1.276 -8.774 -16.270 1.00 72.32 C ATOM 440 C MET A 29 -1.615 -10.181 -16.719 1.00 1.34 C ATOM 441 O MET A 29 -1.168 -10.610 -17.764 1.00 35.25 O ATOM 442 CB MET A 29 0.015 -8.759 -15.473 1.00 41.41 C ATOM 443 CG MET A 29 0.763 -7.434 -15.477 1.00 64.24 C ATOM 444 SD MET A 29 2.334 -7.576 -14.662 1.00 72.05 S ATOM 445 CE MET A 29 3.035 -6.012 -15.079 1.00 11.30 C ATOM 0 H MET A 29 -2.202 -8.032 -14.570 1.00 30.44 H new ATOM 0 HA MET A 29 -1.114 -8.171 -17.163 1.00 72.32 H new ATOM 0 HB2 MET A 29 -0.211 -9.027 -14.441 1.00 41.41 H new ATOM 0 HB3 MET A 29 0.675 -9.532 -15.866 1.00 41.41 H new ATOM 0 HG2 MET A 29 0.913 -7.102 -16.504 1.00 64.24 H new ATOM 0 HG3 MET A 29 0.161 -6.673 -14.981 1.00 64.24 H new ATOM 0 HE1 MET A 29 4.116 -6.112 -15.174 1.00 11.30 H new ATOM 0 HE2 MET A 29 2.618 -5.667 -16.025 1.00 11.30 H new ATOM 0 HE3 MET A 29 2.805 -5.290 -14.296 1.00 11.30 H new ATOM 455 N ILE A 30 -2.421 -10.885 -15.944 1.00 11.01 N ATOM 456 CA ILE A 30 -2.826 -12.250 -16.302 1.00 14.24 C ATOM 457 C ILE A 30 -3.659 -12.248 -17.572 1.00 73.44 C ATOM 458 O ILE A 30 -3.465 -13.084 -18.464 1.00 61.14 O ATOM 459 CB ILE A 30 -3.629 -12.952 -15.165 1.00 13.21 C ATOM 460 CG1 ILE A 30 -2.801 -13.034 -13.882 1.00 24.42 C ATOM 461 CG2 ILE A 30 -4.070 -14.354 -15.598 1.00 2.42 C ATOM 462 CD1 ILE A 30 -3.531 -13.692 -12.732 1.00 41.05 C ATOM 0 H ILE A 30 -2.811 -10.544 -15.065 1.00 11.01 H new ATOM 0 HA ILE A 30 -1.906 -12.812 -16.462 1.00 14.24 H new ATOM 0 HB ILE A 30 -4.517 -12.353 -14.965 1.00 13.21 H new ATOM 0 HG12 ILE A 30 -1.885 -13.589 -14.085 1.00 24.42 H new ATOM 0 HG13 ILE A 30 -2.505 -12.028 -13.585 1.00 24.42 H new ATOM 0 HG21 ILE A 30 -4.629 -14.826 -14.790 1.00 2.42 H new ATOM 0 HG22 ILE A 30 -4.704 -14.279 -16.482 1.00 2.42 H new ATOM 0 HG23 ILE A 30 -3.192 -14.956 -15.831 1.00 2.42 H new ATOM 0 HD11 ILE A 30 -2.883 -13.715 -11.856 1.00 41.05 H new ATOM 0 HD12 ILE A 30 -4.433 -13.125 -12.502 1.00 41.05 H new ATOM 0 HD13 ILE A 30 -3.803 -14.710 -13.009 1.00 41.05 H new ATOM 474 N ILE A 31 -4.565 -11.310 -17.654 1.00 45.45 N ATOM 475 CA ILE A 31 -5.456 -11.214 -18.773 1.00 12.44 C ATOM 476 C ILE A 31 -4.719 -10.765 -20.048 1.00 71.54 C ATOM 477 O ILE A 31 -4.962 -11.294 -21.140 1.00 5.03 O ATOM 478 CB ILE A 31 -6.618 -10.240 -18.486 1.00 11.31 C ATOM 479 CG1 ILE A 31 -7.314 -10.621 -17.188 1.00 55.02 C ATOM 480 CG2 ILE A 31 -7.617 -10.311 -19.612 1.00 34.31 C ATOM 481 CD1 ILE A 31 -8.495 -9.745 -16.849 1.00 51.14 C ATOM 0 H ILE A 31 -4.704 -10.591 -16.944 1.00 45.45 H new ATOM 0 HA ILE A 31 -5.861 -12.213 -18.935 1.00 12.44 H new ATOM 0 HB ILE A 31 -6.218 -9.230 -18.399 1.00 11.31 H new ATOM 0 HG12 ILE A 31 -7.649 -11.656 -17.257 1.00 55.02 H new ATOM 0 HG13 ILE A 31 -6.592 -10.573 -16.372 1.00 55.02 H new ATOM 0 HG21 ILE A 31 -8.439 -9.624 -19.413 1.00 34.31 H new ATOM 0 HG22 ILE A 31 -7.131 -10.034 -20.547 1.00 34.31 H new ATOM 0 HG23 ILE A 31 -8.004 -11.327 -19.692 1.00 34.31 H new ATOM 0 HD11 ILE A 31 -8.938 -10.079 -15.911 1.00 51.14 H new ATOM 0 HD12 ILE A 31 -8.164 -8.712 -16.746 1.00 51.14 H new ATOM 0 HD13 ILE A 31 -9.237 -9.811 -17.645 1.00 51.14 H new ATOM 493 N THR A 32 -3.797 -9.834 -19.904 1.00 61.51 N ATOM 494 CA THR A 32 -3.133 -9.262 -21.045 1.00 63.31 C ATOM 495 C THR A 32 -1.902 -10.071 -21.459 1.00 30.43 C ATOM 496 O THR A 32 -1.657 -10.263 -22.653 1.00 50.12 O ATOM 497 CB THR A 32 -2.728 -7.806 -20.758 1.00 1.03 C ATOM 498 OG1 THR A 32 -1.899 -7.775 -19.585 1.00 45.14 O ATOM 499 CG2 THR A 32 -3.964 -6.943 -20.519 1.00 74.21 C ATOM 0 H THR A 32 -3.494 -9.461 -19.004 1.00 61.51 H new ATOM 0 HA THR A 32 -3.841 -9.286 -21.873 1.00 63.31 H new ATOM 0 HB THR A 32 -2.186 -7.413 -21.618 1.00 1.03 H new ATOM 0 HG1 THR A 32 -2.464 -7.787 -18.785 1.00 45.14 H new ATOM 0 HG21 THR A 32 -3.658 -5.917 -20.318 1.00 74.21 H new ATOM 0 HG22 THR A 32 -4.600 -6.965 -21.404 1.00 74.21 H new ATOM 0 HG23 THR A 32 -4.519 -7.330 -19.664 1.00 74.21 H new ATOM 507 N LYS A 33 -1.128 -10.523 -20.455 1.00 62.23 N ATOM 508 CA LYS A 33 0.109 -11.309 -20.638 1.00 24.14 C ATOM 509 C LYS A 33 1.214 -10.487 -21.295 1.00 24.42 C ATOM 510 O LYS A 33 2.279 -10.997 -21.581 1.00 13.31 O ATOM 511 CB LYS A 33 -0.157 -12.581 -21.456 1.00 10.12 C ATOM 512 CG LYS A 33 -1.136 -13.547 -20.806 1.00 2.51 C ATOM 513 CD LYS A 33 -1.463 -14.723 -21.723 1.00 61.32 C ATOM 514 CE LYS A 33 -2.157 -14.259 -23.002 1.00 64.12 C ATOM 515 NZ LYS A 33 -2.542 -15.388 -23.864 1.00 44.51 N ATOM 0 H LYS A 33 -1.348 -10.349 -19.474 1.00 62.23 H new ATOM 0 HA LYS A 33 0.449 -11.596 -19.643 1.00 24.14 H new ATOM 0 HB2 LYS A 33 -0.541 -12.296 -22.435 1.00 10.12 H new ATOM 0 HB3 LYS A 33 0.789 -13.097 -21.622 1.00 10.12 H new ATOM 0 HG2 LYS A 33 -0.714 -13.920 -19.873 1.00 2.51 H new ATOM 0 HG3 LYS A 33 -2.054 -13.018 -20.551 1.00 2.51 H new ATOM 0 HD2 LYS A 33 -0.545 -15.253 -21.978 1.00 61.32 H new ATOM 0 HD3 LYS A 33 -2.104 -15.430 -21.196 1.00 61.32 H new ATOM 0 HE2 LYS A 33 -3.045 -13.682 -22.743 1.00 64.12 H new ATOM 0 HE3 LYS A 33 -1.493 -13.593 -23.553 1.00 64.12 H new ATOM 0 HZ1 LYS A 33 -3.009 -15.027 -24.720 1.00 44.51 H new ATOM 0 HZ2 LYS A 33 -1.693 -15.925 -24.133 1.00 44.51 H new ATOM 0 HZ3 LYS A 33 -3.196 -16.011 -23.349 1.00 44.51 H new ATOM 529 N SER A 34 0.976 -9.211 -21.503 1.00 54.53 N ATOM 530 CA SER A 34 1.940 -8.417 -22.227 1.00 34.55 C ATOM 531 C SER A 34 2.932 -7.712 -21.289 1.00 33.13 C ATOM 532 O SER A 34 4.000 -7.309 -21.718 1.00 33.04 O ATOM 533 CB SER A 34 1.215 -7.415 -23.143 1.00 55.15 C ATOM 534 OG SER A 34 2.121 -6.700 -23.972 1.00 43.41 O ATOM 0 H SER A 34 0.144 -8.711 -21.189 1.00 54.53 H new ATOM 0 HA SER A 34 2.532 -9.089 -22.848 1.00 34.55 H new ATOM 0 HB2 SER A 34 0.497 -7.948 -23.766 1.00 55.15 H new ATOM 0 HB3 SER A 34 0.648 -6.711 -22.534 1.00 55.15 H new ATOM 0 HG SER A 34 1.622 -6.076 -24.539 1.00 43.41 H new ATOM 540 N SER A 35 2.563 -7.586 -20.004 1.00 15.52 N ATOM 541 CA SER A 35 3.420 -6.954 -18.960 1.00 34.41 C ATOM 542 C SER A 35 3.755 -5.455 -19.238 1.00 12.41 C ATOM 543 O SER A 35 4.488 -4.825 -18.473 1.00 11.40 O ATOM 544 CB SER A 35 4.718 -7.762 -18.774 1.00 72.32 C ATOM 545 OG SER A 35 4.429 -9.107 -18.422 1.00 53.31 O ATOM 0 H SER A 35 1.665 -7.916 -19.649 1.00 15.52 H new ATOM 0 HA SER A 35 2.834 -6.968 -18.041 1.00 34.41 H new ATOM 0 HB2 SER A 35 5.301 -7.740 -19.695 1.00 72.32 H new ATOM 0 HB3 SER A 35 5.330 -7.302 -17.998 1.00 72.32 H new ATOM 0 HG SER A 35 4.134 -9.145 -17.488 1.00 53.31 H new ATOM 551 N LYS A 36 3.198 -4.894 -20.302 1.00 30.13 N ATOM 552 CA LYS A 36 3.485 -3.515 -20.689 1.00 74.34 C ATOM 553 C LYS A 36 2.318 -2.931 -21.464 1.00 55.25 C ATOM 554 O LYS A 36 2.459 -1.934 -22.186 1.00 11.02 O ATOM 555 CB LYS A 36 4.774 -3.460 -21.525 1.00 64.03 C ATOM 556 CG LYS A 36 4.732 -4.244 -22.843 1.00 44.53 C ATOM 557 CD LYS A 36 6.085 -4.223 -23.555 1.00 10.42 C ATOM 558 CE LYS A 36 6.543 -2.804 -23.880 1.00 2.30 C ATOM 559 NZ LYS A 36 7.903 -2.780 -24.462 1.00 54.41 N ATOM 0 H LYS A 36 2.541 -5.374 -20.917 1.00 30.13 H new ATOM 0 HA LYS A 36 3.630 -2.918 -19.789 1.00 74.34 H new ATOM 0 HB2 LYS A 36 4.999 -2.417 -21.748 1.00 64.03 H new ATOM 0 HB3 LYS A 36 5.597 -3.841 -20.920 1.00 64.03 H new ATOM 0 HG2 LYS A 36 4.441 -5.275 -22.644 1.00 44.53 H new ATOM 0 HG3 LYS A 36 3.970 -3.818 -23.496 1.00 44.53 H new ATOM 0 HD2 LYS A 36 6.832 -4.709 -22.927 1.00 10.42 H new ATOM 0 HD3 LYS A 36 6.018 -4.801 -24.476 1.00 10.42 H new ATOM 0 HE2 LYS A 36 5.842 -2.348 -24.579 1.00 2.30 H new ATOM 0 HE3 LYS A 36 6.526 -2.201 -22.972 1.00 2.30 H new ATOM 0 HZ1 LYS A 36 8.175 -1.798 -24.668 1.00 54.41 H new ATOM 0 HZ2 LYS A 36 8.577 -3.192 -23.786 1.00 54.41 H new ATOM 0 HZ3 LYS A 36 7.914 -3.334 -25.342 1.00 54.41 H new ATOM 573 N GLY A 37 1.158 -3.532 -21.275 1.00 2.41 N ATOM 574 CA GLY A 37 -0.035 -3.064 -21.934 1.00 32.02 C ATOM 575 C GLY A 37 -0.587 -1.852 -21.226 1.00 11.43 C ATOM 576 O GLY A 37 0.085 -1.270 -20.359 1.00 52.44 O ATOM 0 H GLY A 37 1.022 -4.343 -20.671 1.00 2.41 H new ATOM 0 HA2 GLY A 37 0.189 -2.816 -22.972 1.00 32.02 H new ATOM 0 HA3 GLY A 37 -0.784 -3.856 -21.950 1.00 32.02 H new ATOM 580 N ASP A 38 -1.777 -1.465 -21.547 1.00 42.31 N ATOM 581 CA ASP A 38 -2.353 -0.318 -20.910 1.00 32.40 C ATOM 582 C ASP A 38 -3.049 -0.733 -19.661 1.00 23.20 C ATOM 583 O ASP A 38 -4.050 -1.431 -19.690 1.00 24.15 O ATOM 584 CB ASP A 38 -3.311 0.429 -21.834 1.00 22.33 C ATOM 585 CG ASP A 38 -2.626 1.058 -23.006 1.00 12.21 C ATOM 586 OD1 ASP A 38 -2.397 0.371 -24.015 1.00 50.33 O ATOM 587 OD2 ASP A 38 -2.306 2.273 -22.943 1.00 75.01 O ATOM 0 H ASP A 38 -2.370 -1.920 -22.241 1.00 42.31 H new ATOM 0 HA ASP A 38 -1.544 0.370 -20.664 1.00 32.40 H new ATOM 0 HB2 ASP A 38 -4.072 -0.263 -22.194 1.00 22.33 H new ATOM 0 HB3 ASP A 38 -3.827 1.202 -21.264 1.00 22.33 H new ATOM 592 N PHE A 39 -2.519 -0.319 -18.571 1.00 43.34 N ATOM 593 CA PHE A 39 -3.079 -0.629 -17.302 1.00 43.21 C ATOM 594 C PHE A 39 -3.369 0.664 -16.623 1.00 73.24 C ATOM 595 O PHE A 39 -2.459 1.450 -16.385 1.00 2.11 O ATOM 596 CB PHE A 39 -2.100 -1.457 -16.466 1.00 21.11 C ATOM 597 CG PHE A 39 -1.638 -2.731 -17.133 1.00 50.30 C ATOM 598 CD1 PHE A 39 -2.518 -3.766 -17.350 1.00 64.41 C ATOM 599 CD2 PHE A 39 -0.325 -2.880 -17.547 1.00 0.44 C ATOM 600 CE1 PHE A 39 -2.101 -4.926 -17.961 1.00 22.42 C ATOM 601 CE2 PHE A 39 0.098 -4.039 -18.157 1.00 21.21 C ATOM 602 CZ PHE A 39 -0.790 -5.064 -18.365 1.00 52.23 C ATOM 0 H PHE A 39 -1.674 0.251 -18.530 1.00 43.34 H new ATOM 0 HA PHE A 39 -3.987 -1.220 -17.420 1.00 43.21 H new ATOM 0 HB2 PHE A 39 -1.228 -0.844 -16.236 1.00 21.11 H new ATOM 0 HB3 PHE A 39 -2.573 -1.708 -15.517 1.00 21.11 H new ATOM 0 HD1 PHE A 39 -3.547 -3.667 -17.037 1.00 64.41 H new ATOM 0 HD2 PHE A 39 0.377 -2.075 -17.389 1.00 0.44 H new ATOM 0 HE1 PHE A 39 -2.802 -5.731 -18.125 1.00 22.42 H new ATOM 0 HE2 PHE A 39 1.126 -4.141 -18.471 1.00 21.21 H new ATOM 0 HZ PHE A 39 -0.463 -5.975 -18.843 1.00 52.23 H new ATOM 612 N LEU A 40 -4.604 0.914 -16.348 1.00 5.33 N ATOM 613 CA LEU A 40 -4.978 2.162 -15.746 1.00 1.33 C ATOM 614 C LEU A 40 -5.550 1.908 -14.392 1.00 42.22 C ATOM 615 O LEU A 40 -6.504 1.160 -14.253 1.00 65.24 O ATOM 616 CB LEU A 40 -5.999 2.905 -16.603 1.00 34.34 C ATOM 617 CG LEU A 40 -5.621 3.163 -18.064 1.00 2.51 C ATOM 618 CD1 LEU A 40 -6.719 3.930 -18.763 1.00 73.04 C ATOM 619 CD2 LEU A 40 -4.307 3.911 -18.165 1.00 40.34 C ATOM 0 H LEU A 40 -5.378 0.274 -16.528 1.00 5.33 H new ATOM 0 HA LEU A 40 -4.087 2.784 -15.664 1.00 1.33 H new ATOM 0 HB2 LEU A 40 -6.930 2.339 -16.589 1.00 34.34 H new ATOM 0 HB3 LEU A 40 -6.203 3.866 -16.131 1.00 34.34 H new ATOM 0 HG LEU A 40 -5.498 2.198 -18.556 1.00 2.51 H new ATOM 0 HD11 LEU A 40 -6.436 4.106 -19.801 1.00 73.04 H new ATOM 0 HD12 LEU A 40 -7.643 3.353 -18.732 1.00 73.04 H new ATOM 0 HD13 LEU A 40 -6.871 4.886 -18.261 1.00 73.04 H new ATOM 0 HD21 LEU A 40 -4.064 4.080 -19.214 1.00 40.34 H new ATOM 0 HD22 LEU A 40 -4.394 4.870 -17.654 1.00 40.34 H new ATOM 0 HD23 LEU A 40 -3.516 3.322 -17.700 1.00 40.34 H new ATOM 631 N ILE A 41 -4.990 2.518 -13.400 1.00 15.35 N ATOM 632 CA ILE A 41 -5.444 2.291 -12.063 1.00 35.33 C ATOM 633 C ILE A 41 -6.281 3.469 -11.629 1.00 33.12 C ATOM 634 O ILE A 41 -5.952 4.620 -11.936 1.00 21.34 O ATOM 635 CB ILE A 41 -4.274 2.170 -11.056 1.00 33.34 C ATOM 636 CG1 ILE A 41 -3.160 1.240 -11.552 1.00 40.11 C ATOM 637 CG2 ILE A 41 -4.784 1.713 -9.699 1.00 22.14 C ATOM 638 CD1 ILE A 41 -3.542 -0.128 -11.916 1.00 53.01 C ATOM 0 H ILE A 41 -4.217 3.178 -13.487 1.00 15.35 H new ATOM 0 HA ILE A 41 -6.006 1.357 -12.066 1.00 35.33 H new ATOM 0 HB ILE A 41 -3.837 3.164 -10.959 1.00 33.34 H new ATOM 0 HG12 ILE A 41 -2.695 1.704 -12.422 1.00 40.11 H new ATOM 0 HG13 ILE A 41 -2.397 1.183 -10.776 1.00 40.11 H new ATOM 0 HG21 ILE A 41 -3.948 1.633 -9.004 1.00 22.14 H new ATOM 0 HG22 ILE A 41 -5.505 2.437 -9.318 1.00 22.14 H new ATOM 0 HG23 ILE A 41 -5.266 0.740 -9.800 1.00 22.14 H new ATOM 0 HD11 ILE A 41 -2.660 -0.676 -12.249 1.00 53.01 H new ATOM 0 HD12 ILE A 41 -3.974 -0.628 -11.049 1.00 53.01 H new ATOM 0 HD13 ILE A 41 -4.276 -0.099 -12.721 1.00 53.01 H new ATOM 650 N ARG A 42 -7.355 3.192 -10.944 1.00 32.22 N ATOM 651 CA ARG A 42 -8.183 4.218 -10.394 1.00 61.41 C ATOM 652 C ARG A 42 -7.506 4.692 -9.152 1.00 4.40 C ATOM 653 O ARG A 42 -7.241 3.914 -8.236 1.00 54.13 O ATOM 654 CB ARG A 42 -9.552 3.689 -10.035 1.00 53.30 C ATOM 655 CG ARG A 42 -10.587 4.757 -9.682 1.00 32.22 C ATOM 656 CD ARG A 42 -10.964 5.615 -10.891 1.00 42.50 C ATOM 657 NE ARG A 42 -12.341 6.104 -10.803 1.00 21.32 N ATOM 658 CZ ARG A 42 -12.984 6.782 -11.771 1.00 71.13 C ATOM 659 NH1 ARG A 42 -12.357 7.097 -12.903 1.00 54.13 N ATOM 660 NH2 ARG A 42 -14.246 7.129 -11.606 1.00 71.33 N ATOM 0 H ARG A 42 -7.678 2.244 -10.753 1.00 32.22 H new ATOM 0 HA ARG A 42 -8.319 5.017 -11.123 1.00 61.41 H new ATOM 0 HB2 ARG A 42 -9.929 3.102 -10.873 1.00 53.30 H new ATOM 0 HB3 ARG A 42 -9.451 3.009 -9.189 1.00 53.30 H new ATOM 0 HG2 ARG A 42 -11.482 4.277 -9.286 1.00 32.22 H new ATOM 0 HG3 ARG A 42 -10.192 5.397 -8.893 1.00 32.22 H new ATOM 0 HD2 ARG A 42 -10.282 6.462 -10.963 1.00 42.50 H new ATOM 0 HD3 ARG A 42 -10.844 5.031 -11.803 1.00 42.50 H new ATOM 0 HE ARG A 42 -12.853 5.916 -9.941 1.00 21.32 H new ATOM 0 HH11 ARG A 42 -11.384 6.824 -13.040 1.00 54.13 H new ATOM 0 HH12 ARG A 42 -12.850 7.611 -13.633 1.00 54.13 H new ATOM 0 HH21 ARG A 42 -14.734 6.883 -10.745 1.00 71.33 H new ATOM 0 HH22 ARG A 42 -14.734 7.643 -12.340 1.00 71.33 H new ATOM 674 N THR A 43 -7.234 5.905 -9.126 1.00 3.40 N ATOM 675 CA THR A 43 -6.516 6.492 -8.070 1.00 24.51 C ATOM 676 C THR A 43 -7.271 7.692 -7.585 1.00 34.41 C ATOM 677 O THR A 43 -8.072 8.276 -8.334 1.00 72.41 O ATOM 678 CB THR A 43 -5.059 6.863 -8.495 1.00 13.54 C ATOM 679 OG1 THR A 43 -4.298 7.321 -7.363 1.00 22.21 O ATOM 680 CG2 THR A 43 -5.052 7.938 -9.565 1.00 13.04 C ATOM 0 H THR A 43 -7.507 6.560 -9.859 1.00 3.40 H new ATOM 0 HA THR A 43 -6.421 5.771 -7.258 1.00 24.51 H new ATOM 0 HB THR A 43 -4.602 5.960 -8.899 1.00 13.54 H new ATOM 0 HG1 THR A 43 -3.388 7.547 -7.650 1.00 22.21 H new ATOM 0 HG21 THR A 43 -4.023 8.173 -9.838 1.00 13.04 H new ATOM 0 HG22 THR A 43 -5.588 7.580 -10.444 1.00 13.04 H new ATOM 0 HG23 THR A 43 -5.540 8.835 -9.183 1.00 13.04 H new ATOM 688 N LYS A 44 -7.047 8.042 -6.365 1.00 42.13 N ATOM 689 CA LYS A 44 -7.711 9.139 -5.767 1.00 51.44 C ATOM 690 C LYS A 44 -6.691 10.232 -5.686 1.00 43.34 C ATOM 691 O LYS A 44 -5.708 10.131 -4.954 1.00 4.23 O ATOM 692 CB LYS A 44 -8.165 8.738 -4.362 1.00 25.34 C ATOM 693 CG LYS A 44 -9.018 7.481 -4.349 1.00 11.03 C ATOM 694 CD LYS A 44 -9.444 7.102 -2.952 1.00 75.12 C ATOM 695 CE LYS A 44 -10.308 5.851 -2.970 1.00 3.20 C ATOM 696 NZ LYS A 44 -10.782 5.477 -1.618 1.00 45.22 N ATOM 0 H LYS A 44 -6.388 7.565 -5.750 1.00 42.13 H new ATOM 0 HA LYS A 44 -8.588 9.455 -6.332 1.00 51.44 H new ATOM 0 HB2 LYS A 44 -7.288 8.582 -3.734 1.00 25.34 H new ATOM 0 HB3 LYS A 44 -8.731 9.559 -3.921 1.00 25.34 H new ATOM 0 HG2 LYS A 44 -9.902 7.636 -4.968 1.00 11.03 H new ATOM 0 HG3 LYS A 44 -8.458 6.658 -4.793 1.00 11.03 H new ATOM 0 HD2 LYS A 44 -8.564 6.932 -2.332 1.00 75.12 H new ATOM 0 HD3 LYS A 44 -9.998 7.925 -2.500 1.00 75.12 H new ATOM 0 HE2 LYS A 44 -11.166 6.014 -3.621 1.00 3.20 H new ATOM 0 HE3 LYS A 44 -9.738 5.024 -3.395 1.00 3.20 H new ATOM 0 HZ1 LYS A 44 -11.367 4.619 -1.680 1.00 45.22 H new ATOM 0 HZ2 LYS A 44 -9.964 5.295 -1.002 1.00 45.22 H new ATOM 0 HZ3 LYS A 44 -11.348 6.254 -1.221 1.00 45.22 H new ATOM 710 N LYS A 45 -6.883 11.243 -6.476 1.00 21.13 N ATOM 711 CA LYS A 45 -5.906 12.277 -6.587 1.00 43.54 C ATOM 712 C LYS A 45 -6.571 13.635 -6.490 1.00 71.23 C ATOM 713 O LYS A 45 -7.337 14.035 -7.381 1.00 31.42 O ATOM 714 CB LYS A 45 -5.159 12.104 -7.925 1.00 55.52 C ATOM 715 CG LYS A 45 -3.955 12.990 -8.138 1.00 52.31 C ATOM 716 CD LYS A 45 -3.226 12.577 -9.416 1.00 53.41 C ATOM 717 CE LYS A 45 -2.597 11.178 -9.306 1.00 54.53 C ATOM 718 NZ LYS A 45 -1.883 10.775 -10.545 1.00 14.30 N ATOM 0 H LYS A 45 -7.712 11.373 -7.055 1.00 21.13 H new ATOM 0 HA LYS A 45 -5.187 12.210 -5.771 1.00 43.54 H new ATOM 0 HB2 LYS A 45 -4.838 11.065 -8.006 1.00 55.52 H new ATOM 0 HB3 LYS A 45 -5.864 12.284 -8.736 1.00 55.52 H new ATOM 0 HG2 LYS A 45 -4.267 14.032 -8.207 1.00 52.31 H new ATOM 0 HG3 LYS A 45 -3.282 12.915 -7.284 1.00 52.31 H new ATOM 0 HD2 LYS A 45 -3.926 12.593 -10.252 1.00 53.41 H new ATOM 0 HD3 LYS A 45 -2.447 13.306 -9.639 1.00 53.41 H new ATOM 0 HE2 LYS A 45 -1.901 11.161 -8.468 1.00 54.53 H new ATOM 0 HE3 LYS A 45 -3.377 10.449 -9.087 1.00 54.53 H new ATOM 0 HZ1 LYS A 45 -1.715 9.749 -10.531 1.00 14.30 H new ATOM 0 HZ2 LYS A 45 -2.461 11.019 -11.374 1.00 14.30 H new ATOM 0 HZ3 LYS A 45 -0.972 11.274 -10.599 1.00 14.30 H new ATOM 732 N ASP A 46 -6.320 14.306 -5.373 1.00 74.33 N ATOM 733 CA ASP A 46 -6.808 15.666 -5.087 1.00 4.42 C ATOM 734 C ASP A 46 -8.352 15.726 -5.143 1.00 61.30 C ATOM 735 O ASP A 46 -8.957 16.735 -5.509 1.00 30.33 O ATOM 736 CB ASP A 46 -6.149 16.672 -6.045 1.00 4.32 C ATOM 737 CG ASP A 46 -6.456 18.115 -5.701 1.00 21.11 C ATOM 738 OD1 ASP A 46 -5.921 18.624 -4.695 1.00 0.32 O ATOM 739 OD2 ASP A 46 -7.215 18.774 -6.447 1.00 75.44 O ATOM 0 H ASP A 46 -5.758 13.917 -4.616 1.00 74.33 H new ATOM 0 HA ASP A 46 -6.524 15.940 -4.071 1.00 4.42 H new ATOM 0 HB2 ASP A 46 -5.069 16.524 -6.030 1.00 4.32 H new ATOM 0 HB3 ASP A 46 -6.485 16.469 -7.062 1.00 4.32 H new ATOM 744 N GLY A 47 -8.973 14.646 -4.739 1.00 64.33 N ATOM 745 CA GLY A 47 -10.410 14.597 -4.687 1.00 51.00 C ATOM 746 C GLY A 47 -11.051 14.167 -5.987 1.00 3.31 C ATOM 747 O GLY A 47 -12.271 14.263 -6.139 1.00 63.14 O ATOM 0 H GLY A 47 -8.505 13.790 -4.442 1.00 64.33 H new ATOM 0 HA2 GLY A 47 -10.713 13.909 -3.898 1.00 51.00 H new ATOM 0 HA3 GLY A 47 -10.789 15.582 -4.414 1.00 51.00 H new ATOM 751 N LYS A 48 -10.258 13.731 -6.936 1.00 3.20 N ATOM 752 CA LYS A 48 -10.807 13.194 -8.163 1.00 11.45 C ATOM 753 C LYS A 48 -10.399 11.753 -8.318 1.00 75.12 C ATOM 754 O LYS A 48 -9.258 11.392 -7.997 1.00 4.14 O ATOM 755 CB LYS A 48 -10.397 13.989 -9.432 1.00 41.41 C ATOM 756 CG LYS A 48 -10.914 15.422 -9.535 1.00 52.22 C ATOM 757 CD LYS A 48 -10.058 16.421 -8.773 1.00 55.43 C ATOM 758 CE LYS A 48 -8.678 16.570 -9.417 1.00 21.45 C ATOM 759 NZ LYS A 48 -7.908 17.684 -8.839 1.00 42.32 N ATOM 0 H LYS A 48 -9.239 13.736 -6.886 1.00 3.20 H new ATOM 0 HA LYS A 48 -11.890 13.282 -8.077 1.00 11.45 H new ATOM 0 HB2 LYS A 48 -9.308 14.015 -9.482 1.00 41.41 H new ATOM 0 HB3 LYS A 48 -10.743 13.438 -10.306 1.00 41.41 H new ATOM 0 HG2 LYS A 48 -10.954 15.713 -10.585 1.00 52.22 H new ATOM 0 HG3 LYS A 48 -11.935 15.462 -9.154 1.00 52.22 H new ATOM 0 HD2 LYS A 48 -10.558 17.389 -8.750 1.00 55.43 H new ATOM 0 HD3 LYS A 48 -9.947 16.095 -7.739 1.00 55.43 H new ATOM 0 HE2 LYS A 48 -8.120 15.642 -9.292 1.00 21.45 H new ATOM 0 HE3 LYS A 48 -8.795 16.730 -10.489 1.00 21.45 H new ATOM 0 HZ1 LYS A 48 -6.897 17.549 -9.042 1.00 42.32 H new ATOM 0 HZ2 LYS A 48 -8.228 18.581 -9.257 1.00 42.32 H new ATOM 0 HZ3 LYS A 48 -8.054 17.710 -7.810 1.00 42.32 H new ATOM 773 N GLN A 49 -11.320 10.928 -8.779 1.00 73.03 N ATOM 774 CA GLN A 49 -11.030 9.551 -9.032 1.00 41.42 C ATOM 775 C GLN A 49 -10.615 9.491 -10.479 1.00 10.41 C ATOM 776 O GLN A 49 -11.401 9.843 -11.365 1.00 70.13 O ATOM 777 CB GLN A 49 -12.296 8.697 -8.861 1.00 60.25 C ATOM 778 CG GLN A 49 -13.100 8.914 -7.578 1.00 50.23 C ATOM 779 CD GLN A 49 -12.352 8.630 -6.285 1.00 45.33 C ATOM 780 OE1 GLN A 49 -11.148 8.799 -6.189 1.00 71.02 O ATOM 781 NE2 GLN A 49 -13.077 8.204 -5.280 1.00 41.22 N ATOM 0 H GLN A 49 -12.281 11.202 -8.984 1.00 73.03 H new ATOM 0 HA GLN A 49 -10.267 9.178 -8.349 1.00 41.42 H new ATOM 0 HB2 GLN A 49 -12.952 8.887 -9.710 1.00 60.25 H new ATOM 0 HB3 GLN A 49 -12.008 7.647 -8.909 1.00 60.25 H new ATOM 0 HG2 GLN A 49 -13.448 9.947 -7.557 1.00 50.23 H new ATOM 0 HG3 GLN A 49 -13.986 8.280 -7.613 1.00 50.23 H new ATOM 0 HE21 GLN A 49 -14.082 8.074 -5.395 1.00 41.22 H new ATOM 0 HE22 GLN A 49 -12.636 8.003 -4.382 1.00 41.22 H new ATOM 790 N VAL A 50 -9.433 9.059 -10.738 1.00 62.13 N ATOM 791 CA VAL A 50 -8.925 9.077 -12.100 1.00 13.43 C ATOM 792 C VAL A 50 -8.220 7.797 -12.430 1.00 23.23 C ATOM 793 O VAL A 50 -7.856 7.045 -11.539 1.00 60.32 O ATOM 794 CB VAL A 50 -7.964 10.289 -12.380 1.00 4.44 C ATOM 795 CG1 VAL A 50 -8.694 11.620 -12.266 1.00 64.22 C ATOM 796 CG2 VAL A 50 -6.762 10.271 -11.445 1.00 72.01 C ATOM 0 H VAL A 50 -8.787 8.687 -10.042 1.00 62.13 H new ATOM 0 HA VAL A 50 -9.798 9.191 -12.742 1.00 13.43 H new ATOM 0 HB VAL A 50 -7.608 10.181 -13.404 1.00 4.44 H new ATOM 0 HG11 VAL A 50 -7.998 12.435 -12.466 1.00 64.22 H new ATOM 0 HG12 VAL A 50 -9.508 11.652 -12.990 1.00 64.22 H new ATOM 0 HG13 VAL A 50 -9.099 11.728 -11.260 1.00 64.22 H new ATOM 0 HG21 VAL A 50 -6.117 11.122 -11.665 1.00 72.01 H new ATOM 0 HG22 VAL A 50 -7.104 10.332 -10.412 1.00 72.01 H new ATOM 0 HG23 VAL A 50 -6.203 9.346 -11.588 1.00 72.01 H new ATOM 806 N TRP A 51 -8.071 7.541 -13.698 1.00 71.51 N ATOM 807 CA TRP A 51 -7.356 6.403 -14.180 1.00 24.12 C ATOM 808 C TRP A 51 -5.966 6.851 -14.621 1.00 42.10 C ATOM 809 O TRP A 51 -5.836 7.660 -15.554 1.00 31.34 O ATOM 810 CB TRP A 51 -8.077 5.801 -15.385 1.00 74.41 C ATOM 811 CG TRP A 51 -9.465 5.330 -15.146 1.00 60.12 C ATOM 812 CD1 TRP A 51 -10.573 5.899 -15.623 1.00 2.12 C ATOM 813 CD2 TRP A 51 -9.885 4.197 -14.389 1.00 45.44 C ATOM 814 NE1 TRP A 51 -11.681 5.197 -15.240 1.00 30.54 N ATOM 815 CE2 TRP A 51 -11.287 4.146 -14.475 1.00 43.15 C ATOM 816 CE3 TRP A 51 -9.220 3.221 -13.656 1.00 23.31 C ATOM 817 CZ2 TRP A 51 -12.037 3.158 -13.861 1.00 21.05 C ATOM 818 CZ3 TRP A 51 -9.967 2.238 -13.038 1.00 15.00 C ATOM 819 CH2 TRP A 51 -11.363 2.214 -13.146 1.00 34.30 C ATOM 0 H TRP A 51 -8.452 8.132 -14.437 1.00 71.51 H new ATOM 0 HA TRP A 51 -7.290 5.657 -13.388 1.00 24.12 H new ATOM 0 HB2 TRP A 51 -8.100 6.547 -16.179 1.00 74.41 H new ATOM 0 HB3 TRP A 51 -7.488 4.961 -15.753 1.00 74.41 H new ATOM 0 HD1 TRP A 51 -10.592 6.793 -16.229 1.00 2.12 H new ATOM 0 HE1 TRP A 51 -12.644 5.424 -15.487 1.00 30.54 H new ATOM 0 HE3 TRP A 51 -8.143 3.231 -13.572 1.00 23.31 H new ATOM 0 HZ2 TRP A 51 -13.113 3.136 -13.945 1.00 21.05 H new ATOM 0 HZ3 TRP A 51 -9.466 1.474 -12.461 1.00 15.00 H new ATOM 0 HH2 TRP A 51 -11.918 1.430 -12.652 1.00 34.30 H new ATOM 830 N GLU A 52 -4.949 6.365 -13.960 1.00 3.30 N ATOM 831 CA GLU A 52 -3.589 6.685 -14.342 1.00 13.31 C ATOM 832 C GLU A 52 -2.881 5.439 -14.790 1.00 74.24 C ATOM 833 O GLU A 52 -3.173 4.344 -14.304 1.00 3.11 O ATOM 834 CB GLU A 52 -2.775 7.357 -13.232 1.00 1.43 C ATOM 835 CG GLU A 52 -2.557 6.506 -12.001 1.00 10.15 C ATOM 836 CD GLU A 52 -1.541 7.113 -11.055 1.00 74.14 C ATOM 837 OE1 GLU A 52 -1.855 8.108 -10.370 1.00 22.43 O ATOM 838 OE2 GLU A 52 -0.401 6.583 -10.974 1.00 30.02 O ATOM 0 H GLU A 52 -5.031 5.746 -13.154 1.00 3.30 H new ATOM 0 HA GLU A 52 -3.664 7.407 -15.155 1.00 13.31 H new ATOM 0 HB2 GLU A 52 -1.804 7.643 -13.635 1.00 1.43 H new ATOM 0 HB3 GLU A 52 -3.280 8.276 -12.936 1.00 1.43 H new ATOM 0 HG2 GLU A 52 -3.505 6.377 -11.479 1.00 10.15 H new ATOM 0 HG3 GLU A 52 -2.222 5.514 -12.303 1.00 10.15 H new ATOM 845 N ALA A 53 -1.993 5.598 -15.731 1.00 11.02 N ATOM 846 CA ALA A 53 -1.200 4.500 -16.235 1.00 31.22 C ATOM 847 C ALA A 53 -0.365 3.902 -15.112 1.00 13.04 C ATOM 848 O ALA A 53 0.353 4.622 -14.407 1.00 41.33 O ATOM 849 CB ALA A 53 -0.310 4.969 -17.376 1.00 44.20 C ATOM 0 H ALA A 53 -1.794 6.494 -16.175 1.00 11.02 H new ATOM 0 HA ALA A 53 -1.868 3.729 -16.619 1.00 31.22 H new ATOM 0 HB1 ALA A 53 0.281 4.131 -17.745 1.00 44.20 H new ATOM 0 HB2 ALA A 53 -0.929 5.359 -18.184 1.00 44.20 H new ATOM 0 HB3 ALA A 53 0.357 5.753 -17.018 1.00 44.20 H new ATOM 855 N ALA A 54 -0.494 2.601 -14.932 1.00 73.24 N ATOM 856 CA ALA A 54 0.213 1.868 -13.903 1.00 33.23 C ATOM 857 C ALA A 54 1.708 2.076 -14.015 1.00 23.23 C ATOM 858 O ALA A 54 2.248 2.254 -15.117 1.00 52.22 O ATOM 859 CB ALA A 54 -0.123 0.396 -13.974 1.00 25.13 C ATOM 0 H ALA A 54 -1.102 2.017 -15.506 1.00 73.24 H new ATOM 0 HA ALA A 54 -0.109 2.252 -12.935 1.00 33.23 H new ATOM 0 HB1 ALA A 54 0.418 -0.139 -13.193 1.00 25.13 H new ATOM 0 HB2 ALA A 54 -1.195 0.260 -13.831 1.00 25.13 H new ATOM 0 HB3 ALA A 54 0.166 0.004 -14.949 1.00 25.13 H new ATOM 865 N SER A 55 2.367 2.028 -12.902 1.00 33.23 N ATOM 866 CA SER A 55 3.754 2.324 -12.832 1.00 52.14 C ATOM 867 C SER A 55 4.544 1.046 -12.918 1.00 15.14 C ATOM 868 O SER A 55 4.092 0.008 -12.435 1.00 1.11 O ATOM 869 CB SER A 55 4.041 3.060 -11.528 1.00 24.43 C ATOM 870 OG SER A 55 3.230 4.231 -11.433 1.00 23.51 O ATOM 0 H SER A 55 1.948 1.778 -12.006 1.00 33.23 H new ATOM 0 HA SER A 55 4.047 2.963 -13.665 1.00 52.14 H new ATOM 0 HB2 SER A 55 3.845 2.403 -10.681 1.00 24.43 H new ATOM 0 HB3 SER A 55 5.095 3.334 -11.481 1.00 24.43 H new ATOM 0 HG SER A 55 3.422 4.694 -10.591 1.00 23.51 H new ATOM 876 N LYS A 56 5.714 1.122 -13.526 1.00 43.23 N ATOM 877 CA LYS A 56 6.581 -0.032 -13.729 1.00 21.02 C ATOM 878 C LYS A 56 6.968 -0.674 -12.411 1.00 2.44 C ATOM 879 O LYS A 56 7.218 -1.873 -12.351 1.00 64.13 O ATOM 880 CB LYS A 56 7.819 0.369 -14.513 1.00 71.54 C ATOM 881 CG LYS A 56 7.503 0.958 -15.872 1.00 51.31 C ATOM 882 CD LYS A 56 8.762 1.340 -16.618 1.00 72.44 C ATOM 883 CE LYS A 56 8.434 1.918 -17.979 1.00 41.33 C ATOM 884 NZ LYS A 56 7.671 0.964 -18.811 1.00 34.31 N ATOM 0 H LYS A 56 6.095 1.992 -13.897 1.00 43.23 H new ATOM 0 HA LYS A 56 6.025 -0.772 -14.305 1.00 21.02 H new ATOM 0 HB2 LYS A 56 8.388 1.096 -13.933 1.00 71.54 H new ATOM 0 HB3 LYS A 56 8.457 -0.505 -14.643 1.00 71.54 H new ATOM 0 HG2 LYS A 56 6.936 0.236 -16.459 1.00 51.31 H new ATOM 0 HG3 LYS A 56 6.870 1.837 -15.750 1.00 51.31 H new ATOM 0 HD2 LYS A 56 9.326 2.069 -16.036 1.00 72.44 H new ATOM 0 HD3 LYS A 56 9.399 0.463 -16.735 1.00 72.44 H new ATOM 0 HE2 LYS A 56 7.857 2.835 -17.855 1.00 41.33 H new ATOM 0 HE3 LYS A 56 9.357 2.189 -18.491 1.00 41.33 H new ATOM 0 HZ1 LYS A 56 7.712 1.262 -19.807 1.00 34.31 H new ATOM 0 HZ2 LYS A 56 8.083 0.014 -18.716 1.00 34.31 H new ATOM 0 HZ3 LYS A 56 6.680 0.944 -18.496 1.00 34.31 H new ATOM 898 N THR A 57 7.006 0.123 -11.362 1.00 43.13 N ATOM 899 CA THR A 57 7.273 -0.366 -10.041 1.00 15.13 C ATOM 900 C THR A 57 6.150 -1.306 -9.578 1.00 53.43 C ATOM 901 O THR A 57 6.392 -2.464 -9.245 1.00 44.30 O ATOM 902 CB THR A 57 7.412 0.819 -9.061 1.00 33.11 C ATOM 903 OG1 THR A 57 6.291 1.719 -9.229 1.00 20.10 O ATOM 904 CG2 THR A 57 8.720 1.568 -9.288 1.00 12.13 C ATOM 0 H THR A 57 6.851 1.130 -11.411 1.00 43.13 H new ATOM 0 HA THR A 57 8.207 -0.927 -10.058 1.00 15.13 H new ATOM 0 HB THR A 57 7.419 0.428 -8.044 1.00 33.11 H new ATOM 0 HG1 THR A 57 6.378 2.470 -8.606 1.00 20.10 H new ATOM 0 HG21 THR A 57 8.791 2.397 -8.584 1.00 12.13 H new ATOM 0 HG22 THR A 57 9.559 0.889 -9.135 1.00 12.13 H new ATOM 0 HG23 THR A 57 8.746 1.954 -10.307 1.00 12.13 H new ATOM 912 N ALA A 58 4.924 -0.817 -9.633 1.00 14.13 N ATOM 913 CA ALA A 58 3.758 -1.584 -9.208 1.00 71.12 C ATOM 914 C ALA A 58 3.524 -2.752 -10.137 1.00 21.41 C ATOM 915 O ALA A 58 3.204 -3.857 -9.693 1.00 31.03 O ATOM 916 CB ALA A 58 2.527 -0.698 -9.134 1.00 24.15 C ATOM 0 H ALA A 58 4.705 0.120 -9.972 1.00 14.13 H new ATOM 0 HA ALA A 58 3.952 -1.975 -8.209 1.00 71.12 H new ATOM 0 HB1 ALA A 58 1.670 -1.292 -8.815 1.00 24.15 H new ATOM 0 HB2 ALA A 58 2.699 0.105 -8.417 1.00 24.15 H new ATOM 0 HB3 ALA A 58 2.327 -0.271 -10.116 1.00 24.15 H new ATOM 922 N LEU A 59 3.698 -2.510 -11.425 1.00 35.21 N ATOM 923 CA LEU A 59 3.583 -3.540 -12.426 1.00 13.01 C ATOM 924 C LEU A 59 4.560 -4.678 -12.127 1.00 61.53 C ATOM 925 O LEU A 59 4.190 -5.846 -12.155 1.00 14.12 O ATOM 926 CB LEU A 59 3.845 -2.955 -13.826 1.00 62.31 C ATOM 927 CG LEU A 59 2.784 -2.023 -14.417 1.00 51.51 C ATOM 928 CD1 LEU A 59 3.335 -1.340 -15.662 1.00 70.01 C ATOM 929 CD2 LEU A 59 1.568 -2.823 -14.810 1.00 35.51 C ATOM 0 H LEU A 59 3.923 -1.589 -11.800 1.00 35.21 H new ATOM 0 HA LEU A 59 2.569 -3.940 -12.404 1.00 13.01 H new ATOM 0 HB2 LEU A 59 4.788 -2.410 -13.791 1.00 62.31 H new ATOM 0 HB3 LEU A 59 3.983 -3.787 -14.517 1.00 62.31 H new ATOM 0 HG LEU A 59 2.516 -1.276 -13.669 1.00 51.51 H new ATOM 0 HD11 LEU A 59 2.577 -0.678 -16.079 1.00 70.01 H new ATOM 0 HD12 LEU A 59 4.218 -0.759 -15.397 1.00 70.01 H new ATOM 0 HD13 LEU A 59 3.605 -2.094 -16.401 1.00 70.01 H new ATOM 0 HD21 LEU A 59 0.815 -2.157 -15.230 1.00 35.51 H new ATOM 0 HD22 LEU A 59 1.848 -3.569 -15.554 1.00 35.51 H new ATOM 0 HD23 LEU A 59 1.161 -3.322 -13.931 1.00 35.51 H new ATOM 941 N LYS A 60 5.791 -4.325 -11.790 1.00 73.25 N ATOM 942 CA LYS A 60 6.810 -5.313 -11.502 1.00 3.24 C ATOM 943 C LYS A 60 6.438 -6.169 -10.282 1.00 50.33 C ATOM 944 O LYS A 60 6.611 -7.391 -10.296 1.00 73.24 O ATOM 945 CB LYS A 60 8.175 -4.652 -11.307 1.00 52.34 C ATOM 946 CG LYS A 60 9.294 -5.623 -11.089 1.00 14.10 C ATOM 947 CD LYS A 60 9.421 -6.550 -12.272 1.00 41.25 C ATOM 948 CE LYS A 60 10.554 -7.504 -12.094 1.00 65.33 C ATOM 949 NZ LYS A 60 10.385 -8.368 -10.911 1.00 70.53 N ATOM 0 H LYS A 60 6.106 -3.358 -11.710 1.00 73.25 H new ATOM 0 HA LYS A 60 6.873 -5.977 -12.364 1.00 3.24 H new ATOM 0 HB2 LYS A 60 8.401 -4.043 -12.182 1.00 52.34 H new ATOM 0 HB3 LYS A 60 8.122 -3.976 -10.453 1.00 52.34 H new ATOM 0 HG2 LYS A 60 10.229 -5.083 -10.939 1.00 14.10 H new ATOM 0 HG3 LYS A 60 9.111 -6.201 -10.183 1.00 14.10 H new ATOM 0 HD2 LYS A 60 8.492 -7.105 -12.403 1.00 41.25 H new ATOM 0 HD3 LYS A 60 9.574 -5.966 -13.180 1.00 41.25 H new ATOM 0 HE2 LYS A 60 10.644 -8.126 -12.984 1.00 65.33 H new ATOM 0 HE3 LYS A 60 11.485 -6.944 -12.001 1.00 65.33 H new ATOM 0 HZ1 LYS A 60 11.059 -9.159 -10.959 1.00 70.53 H new ATOM 0 HZ2 LYS A 60 10.562 -7.814 -10.049 1.00 70.53 H new ATOM 0 HZ3 LYS A 60 9.414 -8.741 -10.889 1.00 70.53 H new ATOM 963 N LYS A 61 5.916 -5.532 -9.242 1.00 42.02 N ATOM 964 CA LYS A 61 5.496 -6.261 -8.051 1.00 43.13 C ATOM 965 C LYS A 61 4.297 -7.147 -8.328 1.00 64.01 C ATOM 966 O LYS A 61 4.148 -8.211 -7.722 1.00 25.54 O ATOM 967 CB LYS A 61 5.232 -5.337 -6.841 1.00 62.41 C ATOM 968 CG LYS A 61 6.483 -4.852 -6.093 1.00 63.25 C ATOM 969 CD LYS A 61 7.419 -4.022 -6.942 1.00 71.32 C ATOM 970 CE LYS A 61 8.653 -3.625 -6.159 1.00 33.31 C ATOM 971 NZ LYS A 61 9.579 -2.796 -6.953 1.00 10.14 N ATOM 0 H LYS A 61 5.774 -4.523 -9.198 1.00 42.02 H new ATOM 0 HA LYS A 61 6.336 -6.901 -7.781 1.00 43.13 H new ATOM 0 HB2 LYS A 61 4.676 -4.465 -7.186 1.00 62.41 H new ATOM 0 HB3 LYS A 61 4.591 -5.865 -6.136 1.00 62.41 H new ATOM 0 HG2 LYS A 61 6.173 -4.264 -5.229 1.00 63.25 H new ATOM 0 HG3 LYS A 61 7.025 -5.717 -5.711 1.00 63.25 H new ATOM 0 HD2 LYS A 61 7.712 -4.588 -7.827 1.00 71.32 H new ATOM 0 HD3 LYS A 61 6.902 -3.128 -7.292 1.00 71.32 H new ATOM 0 HE2 LYS A 61 8.353 -3.076 -5.266 1.00 33.31 H new ATOM 0 HE3 LYS A 61 9.171 -4.523 -5.822 1.00 33.31 H new ATOM 0 HZ1 LYS A 61 10.407 -2.550 -6.375 1.00 10.14 H new ATOM 0 HZ2 LYS A 61 9.888 -3.327 -7.792 1.00 10.14 H new ATOM 0 HZ3 LYS A 61 9.095 -1.926 -7.253 1.00 10.14 H new ATOM 985 N SER A 62 3.472 -6.735 -9.257 1.00 53.15 N ATOM 986 CA SER A 62 2.299 -7.494 -9.614 1.00 42.10 C ATOM 987 C SER A 62 2.701 -8.736 -10.419 1.00 1.20 C ATOM 988 O SER A 62 2.157 -9.822 -10.224 1.00 10.52 O ATOM 989 CB SER A 62 1.349 -6.608 -10.412 1.00 32.43 C ATOM 990 OG SER A 62 1.043 -5.425 -9.676 1.00 23.52 O ATOM 0 H SER A 62 3.592 -5.870 -9.784 1.00 53.15 H new ATOM 0 HA SER A 62 1.789 -7.830 -8.711 1.00 42.10 H new ATOM 0 HB2 SER A 62 1.803 -6.344 -11.367 1.00 32.43 H new ATOM 0 HB3 SER A 62 0.432 -7.154 -10.635 1.00 32.43 H new ATOM 0 HG SER A 62 1.767 -4.774 -9.787 1.00 23.52 H new ATOM 996 N TRP A 63 3.688 -8.574 -11.283 1.00 71.44 N ATOM 997 CA TRP A 63 4.161 -9.648 -12.110 1.00 32.25 C ATOM 998 C TRP A 63 4.941 -10.675 -11.281 1.00 24.22 C ATOM 999 O TRP A 63 4.987 -11.853 -11.616 1.00 65.02 O ATOM 1000 CB TRP A 63 4.998 -9.100 -13.265 1.00 43.33 C ATOM 1001 CG TRP A 63 5.478 -10.153 -14.191 1.00 4.12 C ATOM 1002 CD1 TRP A 63 6.727 -10.653 -14.248 1.00 54.25 C ATOM 1003 CD2 TRP A 63 4.703 -10.862 -15.172 1.00 20.10 C ATOM 1004 NE1 TRP A 63 6.803 -11.621 -15.216 1.00 13.43 N ATOM 1005 CE2 TRP A 63 5.567 -11.770 -15.795 1.00 14.20 C ATOM 1006 CE3 TRP A 63 3.361 -10.816 -15.582 1.00 22.32 C ATOM 1007 CZ2 TRP A 63 5.145 -12.626 -16.807 1.00 34.31 C ATOM 1008 CZ3 TRP A 63 2.940 -11.670 -16.589 1.00 30.53 C ATOM 1009 CH2 TRP A 63 3.832 -12.563 -17.188 1.00 73.41 C ATOM 0 H TRP A 63 4.178 -7.691 -11.424 1.00 71.44 H new ATOM 0 HA TRP A 63 3.301 -10.165 -12.537 1.00 32.25 H new ATOM 0 HB2 TRP A 63 4.404 -8.377 -13.824 1.00 43.33 H new ATOM 0 HB3 TRP A 63 5.856 -8.563 -12.860 1.00 43.33 H new ATOM 0 HD1 TRP A 63 7.549 -10.338 -13.622 1.00 54.25 H new ATOM 0 HE1 TRP A 63 7.642 -12.145 -15.465 1.00 13.43 H new ATOM 0 HE3 TRP A 63 2.669 -10.127 -15.121 1.00 22.32 H new ATOM 0 HZ2 TRP A 63 5.830 -13.317 -17.276 1.00 34.31 H new ATOM 0 HZ3 TRP A 63 1.911 -11.645 -16.914 1.00 30.53 H new ATOM 0 HH2 TRP A 63 3.477 -13.219 -17.970 1.00 73.41 H new ATOM 1020 N LYS A 64 5.545 -10.221 -10.191 1.00 3.45 N ATOM 1021 CA LYS A 64 6.288 -11.105 -9.307 1.00 61.11 C ATOM 1022 C LYS A 64 5.358 -12.230 -8.787 1.00 31.44 C ATOM 1023 O LYS A 64 5.787 -13.377 -8.618 1.00 44.24 O ATOM 1024 CB LYS A 64 6.955 -10.268 -8.157 1.00 33.15 C ATOM 1025 CG LYS A 64 7.920 -11.026 -7.203 1.00 34.41 C ATOM 1026 CD LYS A 64 7.215 -11.964 -6.219 1.00 5.23 C ATOM 1027 CE LYS A 64 6.373 -11.204 -5.205 1.00 34.12 C ATOM 1028 NZ LYS A 64 7.204 -10.328 -4.352 1.00 70.04 N ATOM 0 H LYS A 64 5.534 -9.244 -9.899 1.00 3.45 H new ATOM 0 HA LYS A 64 7.097 -11.594 -9.849 1.00 61.11 H new ATOM 0 HB2 LYS A 64 7.506 -9.445 -8.612 1.00 33.15 H new ATOM 0 HB3 LYS A 64 6.161 -9.826 -7.555 1.00 33.15 H new ATOM 0 HG2 LYS A 64 8.624 -11.606 -7.800 1.00 34.41 H new ATOM 0 HG3 LYS A 64 8.504 -10.298 -6.640 1.00 34.41 H new ATOM 0 HD2 LYS A 64 6.579 -12.656 -6.771 1.00 5.23 H new ATOM 0 HD3 LYS A 64 7.959 -12.564 -5.695 1.00 5.23 H new ATOM 0 HE2 LYS A 64 5.628 -10.603 -5.727 1.00 34.12 H new ATOM 0 HE3 LYS A 64 5.830 -11.912 -4.579 1.00 34.12 H new ATOM 0 HZ1 LYS A 64 6.653 -10.026 -3.523 1.00 70.04 H new ATOM 0 HZ2 LYS A 64 8.047 -10.849 -4.036 1.00 70.04 H new ATOM 0 HZ3 LYS A 64 7.498 -9.492 -4.896 1.00 70.04 H new ATOM 1042 N ARG A 65 4.071 -11.891 -8.579 1.00 4.12 N ATOM 1043 CA ARG A 65 3.061 -12.871 -8.145 1.00 33.40 C ATOM 1044 C ARG A 65 2.956 -13.953 -9.205 1.00 63.20 C ATOM 1045 O ARG A 65 2.933 -15.134 -8.906 1.00 31.42 O ATOM 1046 CB ARG A 65 1.678 -12.226 -8.101 1.00 1.42 C ATOM 1047 CG ARG A 65 0.581 -13.098 -7.491 1.00 3.14 C ATOM 1048 CD ARG A 65 0.637 -13.144 -6.003 1.00 30.22 C ATOM 1049 NE ARG A 65 -0.343 -14.092 -5.446 1.00 45.53 N ATOM 1050 CZ ARG A 65 -0.761 -14.094 -4.175 1.00 32.34 C ATOM 1051 NH1 ARG A 65 -0.319 -13.168 -3.322 1.00 20.34 N ATOM 1052 NH2 ARG A 65 -1.625 -15.018 -3.766 1.00 30.42 N ATOM 0 H ARG A 65 3.708 -10.946 -8.705 1.00 4.12 H new ATOM 0 HA ARG A 65 3.355 -13.252 -7.167 1.00 33.40 H new ATOM 0 HB2 ARG A 65 1.743 -11.299 -7.532 1.00 1.42 H new ATOM 0 HB3 ARG A 65 1.386 -11.957 -9.116 1.00 1.42 H new ATOM 0 HG2 ARG A 65 -0.392 -12.718 -7.801 1.00 3.14 H new ATOM 0 HG3 ARG A 65 0.668 -14.111 -7.884 1.00 3.14 H new ATOM 0 HD2 ARG A 65 1.640 -13.430 -5.686 1.00 30.22 H new ATOM 0 HD3 ARG A 65 0.448 -12.148 -5.602 1.00 30.22 H new ATOM 0 HE ARG A 65 -0.730 -14.797 -6.073 1.00 45.53 H new ATOM 0 HH11 ARG A 65 0.339 -12.456 -3.638 1.00 20.34 H new ATOM 0 HH12 ARG A 65 -0.640 -13.172 -2.354 1.00 20.34 H new ATOM 0 HH21 ARG A 65 -1.967 -15.722 -4.420 1.00 30.42 H new ATOM 0 HH22 ARG A 65 -1.946 -15.023 -2.798 1.00 30.42 H new ATOM 1066 N TYR A 66 2.905 -13.494 -10.455 1.00 43.33 N ATOM 1067 CA TYR A 66 2.686 -14.325 -11.622 1.00 44.02 C ATOM 1068 C TYR A 66 3.712 -15.427 -11.660 1.00 52.21 C ATOM 1069 O TYR A 66 3.356 -16.607 -11.730 1.00 44.41 O ATOM 1070 CB TYR A 66 2.801 -13.466 -12.883 1.00 30.13 C ATOM 1071 CG TYR A 66 2.218 -14.087 -14.118 1.00 50.33 C ATOM 1072 CD1 TYR A 66 2.861 -15.099 -14.805 1.00 53.20 C ATOM 1073 CD2 TYR A 66 1.004 -13.644 -14.597 1.00 12.20 C ATOM 1074 CE1 TYR A 66 2.302 -15.655 -15.935 1.00 1.21 C ATOM 1075 CE2 TYR A 66 0.441 -14.187 -15.717 1.00 34.44 C ATOM 1076 CZ TYR A 66 1.086 -15.193 -16.388 1.00 64.53 C ATOM 1077 OH TYR A 66 0.508 -15.752 -17.514 1.00 75.22 O ATOM 0 H TYR A 66 3.019 -12.506 -10.682 1.00 43.33 H new ATOM 0 HA TYR A 66 1.691 -14.767 -11.574 1.00 44.02 H new ATOM 0 HB2 TYR A 66 2.305 -12.512 -12.703 1.00 30.13 H new ATOM 0 HB3 TYR A 66 3.854 -13.249 -13.064 1.00 30.13 H new ATOM 0 HD1 TYR A 66 3.816 -15.459 -14.451 1.00 53.20 H new ATOM 0 HD2 TYR A 66 0.487 -12.851 -14.076 1.00 12.20 H new ATOM 0 HE1 TYR A 66 2.813 -16.447 -16.462 1.00 1.21 H new ATOM 0 HE2 TYR A 66 -0.512 -13.824 -16.073 1.00 34.44 H new ATOM 0 HH TYR A 66 -0.348 -15.311 -17.695 1.00 75.22 H new ATOM 1087 N GLU A 67 4.970 -15.030 -11.584 1.00 65.03 N ATOM 1088 CA GLU A 67 6.108 -15.942 -11.591 1.00 71.12 C ATOM 1089 C GLU A 67 5.988 -16.907 -10.448 1.00 62.22 C ATOM 1090 O GLU A 67 6.061 -18.107 -10.635 1.00 35.44 O ATOM 1091 CB GLU A 67 7.391 -15.131 -11.439 1.00 53.32 C ATOM 1092 CG GLU A 67 7.539 -14.048 -12.486 1.00 52.35 C ATOM 1093 CD GLU A 67 7.763 -14.582 -13.890 1.00 55.14 C ATOM 1094 OE1 GLU A 67 6.919 -15.324 -14.413 1.00 23.11 O ATOM 1095 OE2 GLU A 67 8.824 -14.279 -14.479 1.00 62.32 O ATOM 0 H GLU A 67 5.238 -14.048 -11.514 1.00 65.03 H new ATOM 0 HA GLU A 67 6.129 -16.498 -12.528 1.00 71.12 H new ATOM 0 HB2 GLU A 67 7.410 -14.675 -10.449 1.00 53.32 H new ATOM 0 HB3 GLU A 67 8.247 -15.803 -11.497 1.00 53.32 H new ATOM 0 HG2 GLU A 67 6.644 -13.426 -12.482 1.00 52.35 H new ATOM 0 HG3 GLU A 67 8.375 -13.404 -12.214 1.00 52.35 H new ATOM 1102 N GLN A 68 5.757 -16.369 -9.274 1.00 51.21 N ATOM 1103 CA GLN A 68 5.607 -17.174 -8.067 1.00 23.13 C ATOM 1104 C GLN A 68 4.509 -18.222 -8.178 1.00 41.10 C ATOM 1105 O GLN A 68 4.696 -19.345 -7.744 1.00 60.14 O ATOM 1106 CB GLN A 68 5.408 -16.302 -6.837 1.00 64.33 C ATOM 1107 CG GLN A 68 6.666 -15.588 -6.383 1.00 45.00 C ATOM 1108 CD GLN A 68 7.746 -16.567 -5.965 1.00 31.41 C ATOM 1109 OE1 GLN A 68 7.812 -16.966 -4.805 1.00 25.14 O ATOM 1110 NE2 GLN A 68 8.606 -16.944 -6.886 1.00 13.21 N ATOM 0 H GLN A 68 5.667 -15.365 -9.120 1.00 51.21 H new ATOM 0 HA GLN A 68 6.544 -17.720 -7.952 1.00 23.13 H new ATOM 0 HB2 GLN A 68 4.637 -15.561 -7.049 1.00 64.33 H new ATOM 0 HB3 GLN A 68 5.038 -16.921 -6.020 1.00 64.33 H new ATOM 0 HG2 GLN A 68 7.039 -14.958 -7.191 1.00 45.00 H new ATOM 0 HG3 GLN A 68 6.429 -14.929 -5.548 1.00 45.00 H new ATOM 0 HE21 GLN A 68 8.520 -16.592 -7.839 1.00 13.21 H new ATOM 0 HE22 GLN A 68 9.359 -17.589 -6.647 1.00 13.21 H new ATOM 1119 N GLU A 69 3.401 -17.860 -8.756 1.00 22.24 N ATOM 1120 CA GLU A 69 2.286 -18.774 -8.917 1.00 32.02 C ATOM 1121 C GLU A 69 2.540 -19.820 -10.011 1.00 31.53 C ATOM 1122 O GLU A 69 2.447 -21.032 -9.768 1.00 73.51 O ATOM 1123 CB GLU A 69 1.010 -17.993 -9.230 1.00 41.23 C ATOM 1124 CG GLU A 69 0.553 -17.058 -8.122 1.00 4.51 C ATOM 1125 CD GLU A 69 0.146 -17.789 -6.876 1.00 54.11 C ATOM 1126 OE1 GLU A 69 -1.025 -18.226 -6.795 1.00 44.32 O ATOM 1127 OE2 GLU A 69 0.964 -17.931 -5.961 1.00 31.02 O ATOM 0 H GLU A 69 3.236 -16.926 -9.132 1.00 22.24 H new ATOM 0 HA GLU A 69 2.170 -19.310 -7.975 1.00 32.02 H new ATOM 0 HB2 GLU A 69 1.170 -17.410 -10.137 1.00 41.23 H new ATOM 0 HB3 GLU A 69 0.209 -18.701 -9.443 1.00 41.23 H new ATOM 0 HG2 GLU A 69 1.358 -16.363 -7.884 1.00 4.51 H new ATOM 0 HG3 GLU A 69 -0.287 -16.462 -8.479 1.00 4.51 H new