USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 27 THR OG1 : rot 100:sc= 0.465 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 144:sc= 0.11 (180deg=-1.35) USER MOD Set 1.3: A 72 GLN : amide:sc= -1.63 X(o=-1.1,f=-0.77) USER MOD Set 2.1: A 5 THR OG1 : rot -167:sc= 0.8 USER MOD Set 2.2: A 28 SER OG : rot 32:sc= 1.54 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -107:sc= -1.77! (180deg=-4.78!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 8 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1.5) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.19) USER MOD Single : A 17 ASN : amide:sc= 0.259 K(o=0.26,f=-0.28) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -160:sc= -0.68 USER MOD Single : A 42 SER OG : rot 180:sc= -2.03 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.067) USER MOD Single : A 46 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0.791 (180deg=-0.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.66! C(o=-2.7!,f=-7.8!) USER MOD Single : A 54 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.09) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.102 (180deg=-0.562) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.11! C(o=-1.1!,f=-8.4!) USER MOD Single : A 67 HIS : no HD1:sc=-0.00718 X(o=-0.0072,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 73 THR OG1 : rot 160:sc=-0.00733 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -0.0544 (180deg=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.613 -5.217 -3.241 1.00 72.44 N ATOM 2 CA PRO A 1 -1.541 -4.388 -3.821 1.00 63.23 C ATOM 3 C PRO A 1 -0.727 -5.195 -4.822 1.00 50.34 C ATOM 4 O PRO A 1 -0.930 -6.402 -4.961 1.00 54.34 O ATOM 5 CB PRO A 1 -0.655 -3.883 -2.693 1.00 35.02 C ATOM 6 CG PRO A 1 -1.331 -4.373 -1.457 1.00 24.21 C ATOM 7 CD PRO A 1 -2.741 -4.763 -1.851 1.00 63.42 C ATOM 0 H2 PRO A 1 -2.377 -6.208 -3.285 1.00 72.44 H new ATOM 0 H3 PRO A 1 -3.489 -5.096 -3.750 1.00 72.44 H new ATOM 0 HA PRO A 1 -1.975 -3.541 -4.353 1.00 63.23 H new ATOM 0 HB2 PRO A 1 0.359 -4.275 -2.776 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -0.578 -2.796 -2.702 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -0.798 -5.226 -1.037 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -1.345 -3.598 -0.691 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -3.130 -5.553 -1.208 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -3.426 -3.919 -1.769 1.00 63.42 H new ATOM 17 N GLY A 2 0.186 -4.526 -5.514 1.00 35.53 N ATOM 18 CA GLY A 2 1.001 -5.190 -6.513 1.00 24.52 C ATOM 19 C GLY A 2 0.216 -5.484 -7.775 1.00 1.40 C ATOM 20 O GLY A 2 0.283 -4.733 -8.746 1.00 22.44 O ATOM 0 H GLY A 2 0.377 -3.531 -5.400 1.00 35.53 H new ATOM 0 HA2 GLY A 2 1.859 -4.564 -6.756 1.00 24.52 H new ATOM 0 HA3 GLY A 2 1.392 -6.121 -6.103 1.00 24.52 H new ATOM 24 N SER A 3 -0.541 -6.568 -7.752 1.00 10.13 N ATOM 25 CA SER A 3 -1.376 -6.937 -8.876 1.00 12.40 C ATOM 26 C SER A 3 -2.702 -6.185 -8.811 1.00 50.22 C ATOM 27 O SER A 3 -3.531 -6.433 -7.930 1.00 24.11 O ATOM 28 CB SER A 3 -1.602 -8.448 -8.870 1.00 44.31 C ATOM 29 OG SER A 3 -0.361 -9.136 -8.839 1.00 54.01 O ATOM 0 H SER A 3 -0.592 -7.210 -6.961 1.00 10.13 H new ATOM 0 HA SER A 3 -0.878 -6.664 -9.806 1.00 12.40 H new ATOM 0 HB2 SER A 3 -2.202 -8.729 -8.004 1.00 44.31 H new ATOM 0 HB3 SER A 3 -2.165 -8.741 -9.756 1.00 44.31 H new ATOM 0 HG SER A 3 -0.523 -10.103 -8.834 1.00 54.01 H new ATOM 35 N MET A 4 -2.882 -5.245 -9.728 1.00 64.30 N ATOM 36 CA MET A 4 -4.069 -4.402 -9.745 1.00 73.21 C ATOM 37 C MET A 4 -5.301 -5.194 -10.168 1.00 42.35 C ATOM 38 O MET A 4 -5.461 -5.541 -11.338 1.00 54.24 O ATOM 39 CB MET A 4 -3.865 -3.210 -10.687 1.00 72.52 C ATOM 40 CG MET A 4 -2.759 -2.244 -10.267 1.00 21.33 C ATOM 41 SD MET A 4 -3.171 -1.262 -8.802 1.00 14.12 S ATOM 42 CE MET A 4 -2.880 -2.429 -7.471 1.00 12.30 C ATOM 0 H MET A 4 -2.216 -5.046 -10.475 1.00 64.30 H new ATOM 0 HA MET A 4 -4.230 -4.033 -8.732 1.00 73.21 H new ATOM 0 HB2 MET A 4 -3.639 -3.587 -11.684 1.00 72.52 H new ATOM 0 HB3 MET A 4 -4.802 -2.658 -10.760 1.00 72.52 H new ATOM 0 HG2 MET A 4 -1.849 -2.811 -10.070 1.00 21.33 H new ATOM 0 HG3 MET A 4 -2.542 -1.571 -11.096 1.00 21.33 H new ATOM 0 HE1 MET A 4 -3.835 -2.759 -7.061 1.00 12.30 H new ATOM 0 HE2 MET A 4 -2.333 -3.290 -7.855 1.00 12.30 H new ATOM 0 HE3 MET A 4 -2.295 -1.948 -6.687 1.00 12.30 H new ATOM 52 N THR A 5 -6.160 -5.491 -9.206 1.00 5.32 N ATOM 53 CA THR A 5 -7.400 -6.186 -9.487 1.00 22.53 C ATOM 54 C THR A 5 -8.544 -5.180 -9.582 1.00 65.22 C ATOM 55 O THR A 5 -8.909 -4.547 -8.589 1.00 62.04 O ATOM 56 CB THR A 5 -7.709 -7.232 -8.396 1.00 42.10 C ATOM 57 OG1 THR A 5 -6.574 -8.087 -8.210 1.00 71.41 O ATOM 58 CG2 THR A 5 -8.923 -8.072 -8.772 1.00 53.01 C ATOM 0 H THR A 5 -6.018 -5.260 -8.223 1.00 5.32 H new ATOM 0 HA THR A 5 -7.293 -6.708 -10.438 1.00 22.53 H new ATOM 0 HB THR A 5 -7.929 -6.703 -7.469 1.00 42.10 H new ATOM 0 HG1 THR A 5 -6.836 -8.868 -7.679 1.00 71.41 H new ATOM 0 HG21 THR A 5 -9.119 -8.801 -7.986 1.00 53.01 H new ATOM 0 HG22 THR A 5 -9.791 -7.424 -8.890 1.00 53.01 H new ATOM 0 HG23 THR A 5 -8.729 -8.593 -9.710 1.00 53.01 H new ATOM 66 N VAL A 6 -9.083 -5.015 -10.778 1.00 4.20 N ATOM 67 CA VAL A 6 -10.143 -4.046 -11.006 1.00 13.52 C ATOM 68 C VAL A 6 -11.460 -4.751 -11.316 1.00 40.55 C ATOM 69 O VAL A 6 -11.487 -5.753 -12.032 1.00 4.41 O ATOM 70 CB VAL A 6 -9.768 -3.071 -12.151 1.00 75.41 C ATOM 71 CG1 VAL A 6 -9.537 -3.817 -13.460 1.00 44.14 C ATOM 72 CG2 VAL A 6 -10.834 -1.996 -12.326 1.00 12.15 C ATOM 0 H VAL A 6 -8.804 -5.540 -11.607 1.00 4.20 H new ATOM 0 HA VAL A 6 -10.268 -3.465 -10.092 1.00 13.52 H new ATOM 0 HB VAL A 6 -8.834 -2.583 -11.873 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -9.276 -3.105 -14.243 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -8.724 -4.531 -13.333 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -10.446 -4.348 -13.741 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -10.545 -1.326 -13.136 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -11.788 -2.465 -12.566 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -10.932 -1.427 -11.402 1.00 12.15 H new ATOM 82 N THR A 7 -12.545 -4.241 -10.754 1.00 31.41 N ATOM 83 CA THR A 7 -13.863 -4.782 -11.016 1.00 35.31 C ATOM 84 C THR A 7 -14.456 -4.120 -12.260 1.00 31.42 C ATOM 85 O THR A 7 -14.039 -3.025 -12.643 1.00 72.04 O ATOM 86 CB THR A 7 -14.794 -4.531 -9.810 1.00 54.51 C ATOM 87 OG1 THR A 7 -14.093 -4.796 -8.588 1.00 5.41 O ATOM 88 CG2 THR A 7 -16.034 -5.412 -9.878 1.00 10.33 C ATOM 0 H THR A 7 -12.535 -3.449 -10.111 1.00 31.41 H new ATOM 0 HA THR A 7 -13.773 -5.856 -11.180 1.00 35.31 H new ATOM 0 HB THR A 7 -15.107 -3.487 -9.840 1.00 54.51 H new ATOM 0 HG1 THR A 7 -14.689 -4.633 -7.827 1.00 5.41 H new ATOM 0 HG21 THR A 7 -16.670 -5.212 -9.015 1.00 10.33 H new ATOM 0 HG22 THR A 7 -16.585 -5.195 -10.793 1.00 10.33 H new ATOM 0 HG23 THR A 7 -15.736 -6.460 -9.874 1.00 10.33 H new ATOM 96 N GLN A 8 -15.426 -4.774 -12.884 1.00 3.23 N ATOM 97 CA GLN A 8 -16.126 -4.188 -14.014 1.00 50.02 C ATOM 98 C GLN A 8 -17.399 -3.522 -13.520 1.00 1.14 C ATOM 99 O GLN A 8 -18.197 -4.147 -12.819 1.00 72.35 O ATOM 100 CB GLN A 8 -16.454 -5.249 -15.063 1.00 43.14 C ATOM 101 CG GLN A 8 -17.159 -4.686 -16.287 1.00 33.25 C ATOM 102 CD GLN A 8 -17.449 -5.735 -17.339 1.00 53.30 C ATOM 103 OE1 GLN A 8 -17.656 -6.905 -17.024 1.00 54.41 O ATOM 104 NE2 GLN A 8 -17.473 -5.316 -18.594 1.00 54.35 N ATOM 0 H GLN A 8 -15.744 -5.708 -12.626 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.482 -3.444 -14.484 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -15.531 -5.738 -15.376 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -17.083 -6.015 -14.610 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -18.095 -4.221 -15.978 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -16.543 -3.901 -16.725 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -17.295 -4.335 -18.808 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -17.670 -5.974 -19.348 1.00 54.35 H new ATOM 113 N SER A 9 -17.589 -2.263 -13.893 1.00 52.14 N ATOM 114 CA SER A 9 -18.700 -1.467 -13.393 1.00 2.52 C ATOM 115 C SER A 9 -20.042 -2.111 -13.736 1.00 0.31 C ATOM 116 O SER A 9 -20.894 -2.277 -12.865 1.00 54.11 O ATOM 117 CB SER A 9 -18.629 -0.051 -13.966 1.00 33.54 C ATOM 118 OG SER A 9 -17.377 0.556 -13.675 1.00 75.12 O ATOM 0 H SER A 9 -16.981 -1.768 -14.546 1.00 52.14 H new ATOM 0 HA SER A 9 -18.621 -1.418 -12.307 1.00 2.52 H new ATOM 0 HB2 SER A 9 -18.779 -0.084 -15.045 1.00 33.54 H new ATOM 0 HB3 SER A 9 -19.435 0.554 -13.551 1.00 33.54 H new ATOM 0 HG SER A 9 -17.356 1.460 -14.053 1.00 75.12 H new ATOM 124 N GLN A 10 -20.214 -2.501 -14.996 1.00 65.43 N ATOM 125 CA GLN A 10 -21.472 -3.087 -15.444 1.00 50.30 C ATOM 126 C GLN A 10 -21.740 -4.417 -14.748 1.00 24.22 C ATOM 127 O GLN A 10 -22.849 -4.670 -14.293 1.00 13.03 O ATOM 128 CB GLN A 10 -21.469 -3.292 -16.958 1.00 3.51 C ATOM 129 CG GLN A 10 -21.328 -2.004 -17.752 1.00 31.21 C ATOM 130 CD GLN A 10 -22.426 -1.005 -17.445 1.00 30.13 C ATOM 131 OE1 GLN A 10 -22.282 -0.156 -16.564 1.00 43.14 O ATOM 132 NE2 GLN A 10 -23.540 -1.109 -18.152 1.00 21.05 N ATOM 0 H GLN A 10 -19.501 -2.422 -15.721 1.00 65.43 H new ATOM 0 HA GLN A 10 -22.267 -2.389 -15.182 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -20.651 -3.962 -17.223 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -22.395 -3.788 -17.250 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -20.360 -1.552 -17.535 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -21.340 -2.235 -18.817 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -23.621 -1.825 -18.873 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -24.317 -0.473 -17.975 1.00 21.05 H new ATOM 141 N LEU A 11 -20.713 -5.257 -14.665 1.00 1.21 N ATOM 142 CA LEU A 11 -20.846 -6.572 -14.039 1.00 12.41 C ATOM 143 C LEU A 11 -21.207 -6.433 -12.564 1.00 54.11 C ATOM 144 O LEU A 11 -22.137 -7.078 -12.079 1.00 71.13 O ATOM 145 CB LEU A 11 -19.544 -7.365 -14.191 1.00 53.43 C ATOM 146 CG LEU A 11 -19.568 -8.784 -13.613 1.00 4.24 C ATOM 147 CD1 LEU A 11 -20.580 -9.648 -14.351 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.181 -9.406 -13.685 1.00 61.15 C ATOM 0 H LEU A 11 -19.780 -5.053 -15.022 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.649 -7.111 -14.541 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -19.298 -7.427 -15.251 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.741 -6.808 -13.709 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.869 -8.726 -12.567 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -20.581 -10.651 -13.925 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -21.573 -9.210 -14.251 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -20.312 -9.702 -15.406 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.212 -10.414 -13.271 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -17.856 -9.450 -14.724 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -17.480 -8.800 -13.111 1.00 61.15 H new ATOM 160 N GLU A 12 -20.473 -5.572 -11.868 1.00 14.13 N ATOM 161 CA GLU A 12 -20.712 -5.316 -10.454 1.00 13.33 C ATOM 162 C GLU A 12 -22.128 -4.803 -10.239 1.00 23.45 C ATOM 163 O GLU A 12 -22.895 -5.359 -9.451 1.00 35.24 O ATOM 164 CB GLU A 12 -19.712 -4.280 -9.950 1.00 72.23 C ATOM 165 CG GLU A 12 -19.730 -4.083 -8.445 1.00 2.41 C ATOM 166 CD GLU A 12 -18.942 -2.862 -8.023 1.00 74.31 C ATOM 167 OE1 GLU A 12 -17.707 -2.958 -7.900 1.00 23.41 O ATOM 168 OE2 GLU A 12 -19.559 -1.793 -7.819 1.00 33.12 O ATOM 0 H GLU A 12 -19.701 -5.036 -12.265 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.589 -6.247 -9.901 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.709 -4.580 -10.254 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.919 -3.325 -10.433 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -20.761 -3.984 -8.105 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -19.317 -4.967 -7.959 1.00 2.41 H new ATOM 175 N LEU A 13 -22.458 -3.742 -10.968 1.00 24.43 N ATOM 176 CA LEU A 13 -23.766 -3.108 -10.894 1.00 1.43 C ATOM 177 C LEU A 13 -24.878 -4.108 -11.196 1.00 31.21 C ATOM 178 O LEU A 13 -25.927 -4.102 -10.546 1.00 4.34 O ATOM 179 CB LEU A 13 -23.799 -1.916 -11.867 1.00 73.45 C ATOM 180 CG LEU A 13 -25.159 -1.260 -12.113 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.982 0.232 -12.331 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.843 -1.881 -13.324 1.00 50.21 C ATOM 0 H LEU A 13 -21.822 -3.297 -11.629 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.937 -2.744 -9.881 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -23.117 -1.153 -11.492 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -23.405 -2.251 -12.827 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.786 -1.425 -11.237 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.955 0.692 -12.506 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -24.523 0.677 -11.448 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -24.341 0.400 -13.196 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.809 -1.401 -13.482 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -25.219 -1.740 -14.206 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.992 -2.947 -13.151 1.00 50.21 H new ATOM 194 N LEU A 14 -24.631 -4.980 -12.162 1.00 72.01 N ATOM 195 CA LEU A 14 -25.629 -5.952 -12.590 1.00 3.52 C ATOM 196 C LEU A 14 -25.978 -6.903 -11.454 1.00 71.02 C ATOM 197 O LEU A 14 -27.151 -7.082 -11.121 1.00 70.32 O ATOM 198 CB LEU A 14 -25.121 -6.748 -13.798 1.00 33.20 C ATOM 199 CG LEU A 14 -26.113 -7.754 -14.387 1.00 40.12 C ATOM 200 CD1 LEU A 14 -27.351 -7.045 -14.919 1.00 54.01 C ATOM 201 CD2 LEU A 14 -25.447 -8.566 -15.488 1.00 11.21 C ATOM 0 H LEU A 14 -23.746 -5.035 -12.666 1.00 72.01 H new ATOM 0 HA LEU A 14 -26.528 -5.407 -12.878 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -24.835 -6.045 -14.580 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -24.218 -7.283 -13.505 1.00 33.20 H new ATOM 0 HG LEU A 14 -26.427 -8.433 -13.594 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -28.042 -7.780 -15.333 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -27.839 -6.506 -14.107 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -27.060 -6.341 -15.699 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -26.163 -9.278 -15.899 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -25.106 -7.897 -16.278 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -24.594 -9.106 -15.077 1.00 11.21 H new ATOM 213 N ILE A 15 -24.953 -7.481 -10.837 1.00 13.25 N ATOM 214 CA ILE A 15 -25.158 -8.456 -9.775 1.00 24.23 C ATOM 215 C ILE A 15 -25.662 -7.779 -8.500 1.00 61.32 C ATOM 216 O ILE A 15 -26.471 -8.346 -7.772 1.00 75.31 O ATOM 217 CB ILE A 15 -23.868 -9.248 -9.467 1.00 33.14 C ATOM 218 CG1 ILE A 15 -23.282 -9.829 -10.757 1.00 70.34 C ATOM 219 CG2 ILE A 15 -24.160 -10.365 -8.469 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.964 -10.550 -10.563 1.00 63.52 C ATOM 0 H ILE A 15 -23.975 -7.291 -11.054 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.913 -9.157 -10.130 1.00 24.23 H new ATOM 0 HB ILE A 15 -23.138 -8.569 -9.027 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -24.003 -10.521 -11.192 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -23.141 -9.022 -11.476 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.243 -10.916 -8.260 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.544 -9.935 -7.544 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.903 -11.043 -8.889 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -21.614 -10.933 -11.522 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -21.226 -9.857 -10.158 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -22.102 -11.380 -9.870 1.00 63.52 H new ATOM 232 N ARG A 16 -25.199 -6.560 -8.243 1.00 32.24 N ATOM 233 CA ARG A 16 -25.612 -5.827 -7.048 1.00 15.30 C ATOM 234 C ARG A 16 -27.087 -5.433 -7.135 1.00 74.23 C ATOM 235 O ARG A 16 -27.796 -5.428 -6.130 1.00 15.23 O ATOM 236 CB ARG A 16 -24.738 -4.582 -6.851 1.00 23.14 C ATOM 237 CG ARG A 16 -24.944 -3.877 -5.515 1.00 71.35 C ATOM 238 CD ARG A 16 -24.636 -4.792 -4.335 1.00 63.11 C ATOM 239 NE ARG A 16 -24.488 -4.045 -3.083 1.00 73.55 N ATOM 240 CZ ARG A 16 -24.140 -4.594 -1.915 1.00 72.42 C ATOM 241 NH1 ARG A 16 -24.021 -5.908 -1.793 1.00 4.32 N ATOM 242 NH2 ARG A 16 -23.932 -3.821 -0.858 1.00 75.13 N ATOM 0 H ARG A 16 -24.541 -6.060 -8.841 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.483 -6.482 -6.187 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.690 -4.870 -6.939 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.943 -3.877 -7.656 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.304 -2.996 -5.467 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -25.974 -3.528 -5.444 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.435 -5.525 -4.227 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -23.720 -5.347 -4.536 1.00 63.11 H new ATOM 0 HE ARG A 16 -24.662 -3.040 -3.104 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -24.196 -6.513 -2.596 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -23.755 -6.315 -0.896 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -24.038 -2.810 -0.937 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -23.666 -4.238 0.034 1.00 75.13 H new ATOM 256 N ASN A 17 -27.545 -5.106 -8.339 1.00 21.01 N ATOM 257 CA ASN A 17 -28.956 -4.792 -8.553 1.00 71.44 C ATOM 258 C ASN A 17 -29.784 -6.067 -8.615 1.00 24.13 C ATOM 259 O ASN A 17 -30.953 -6.081 -8.223 1.00 64.41 O ATOM 260 CB ASN A 17 -29.153 -3.974 -9.833 1.00 22.11 C ATOM 261 CG ASN A 17 -28.879 -2.496 -9.632 1.00 54.33 C ATOM 262 OD1 ASN A 17 -29.781 -1.730 -9.289 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.646 -2.081 -9.856 1.00 64.22 N ATOM 0 H ASN A 17 -26.966 -5.051 -9.177 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.295 -4.192 -7.709 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.493 -4.359 -10.610 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -30.175 -4.105 -10.189 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.412 -1.094 -9.746 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.927 -2.747 -10.139 1.00 64.22 H new ATOM 270 N ALA A 18 -29.174 -7.140 -9.110 1.00 24.13 N ATOM 271 CA ALA A 18 -29.839 -8.435 -9.173 1.00 52.44 C ATOM 272 C ALA A 18 -30.037 -9.007 -7.776 1.00 63.32 C ATOM 273 O ALA A 18 -31.119 -9.487 -7.438 1.00 53.11 O ATOM 274 CB ALA A 18 -29.041 -9.403 -10.034 1.00 44.34 C ATOM 0 H ALA A 18 -28.221 -7.137 -9.473 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.819 -8.293 -9.628 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.553 -10.365 -10.070 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.951 -9.002 -11.044 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.047 -9.536 -9.606 1.00 44.34 H new ATOM 280 N PHE A 19 -28.991 -8.947 -6.967 1.00 32.44 N ATOM 281 CA PHE A 19 -29.050 -9.432 -5.597 1.00 64.45 C ATOM 282 C PHE A 19 -28.579 -8.342 -4.634 1.00 11.13 C ATOM 283 O PHE A 19 -27.391 -8.245 -4.323 1.00 74.13 O ATOM 284 CB PHE A 19 -28.193 -10.691 -5.432 1.00 5.30 C ATOM 285 CG PHE A 19 -28.556 -11.807 -6.371 1.00 32.32 C ATOM 286 CD1 PHE A 19 -29.662 -12.607 -6.126 1.00 44.11 C ATOM 287 CD2 PHE A 19 -27.790 -12.057 -7.499 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.000 -13.632 -6.989 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.122 -13.080 -8.367 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.228 -13.870 -8.110 1.00 4.25 C ATOM 0 H PHE A 19 -28.085 -8.564 -7.238 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.084 -9.688 -5.364 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.146 -10.428 -5.585 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.285 -11.049 -4.407 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.267 -12.427 -5.250 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -26.924 -11.445 -7.702 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -30.866 -14.246 -6.788 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.519 -13.262 -9.244 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.488 -14.672 -8.785 1.00 4.25 H new ATOM 300 N PRO A 20 -29.510 -7.493 -4.171 1.00 74.32 N ATOM 301 CA PRO A 20 -29.193 -6.340 -3.316 1.00 62.04 C ATOM 302 C PRO A 20 -28.602 -6.732 -1.964 1.00 53.13 C ATOM 303 O PRO A 20 -27.621 -6.137 -1.511 1.00 3.14 O ATOM 304 CB PRO A 20 -30.547 -5.645 -3.125 1.00 73.25 C ATOM 305 CG PRO A 20 -31.412 -6.169 -4.217 1.00 43.34 C ATOM 306 CD PRO A 20 -30.948 -7.574 -4.462 1.00 54.10 C ATOM 0 HA PRO A 20 -28.431 -5.710 -3.775 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.970 -5.869 -2.146 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.446 -4.562 -3.188 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.463 -6.148 -3.928 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.317 -5.562 -5.118 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.454 -8.287 -3.811 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.137 -7.890 -5.488 1.00 54.10 H new ATOM 314 N GLU A 21 -29.196 -7.723 -1.318 1.00 43.25 N ATOM 315 CA GLU A 21 -28.733 -8.159 -0.005 1.00 14.45 C ATOM 316 C GLU A 21 -27.729 -9.301 -0.130 1.00 61.52 C ATOM 317 O GLU A 21 -27.576 -10.121 0.780 1.00 44.12 O ATOM 318 CB GLU A 21 -29.916 -8.575 0.869 1.00 73.54 C ATOM 319 CG GLU A 21 -30.570 -7.421 1.621 1.00 25.00 C ATOM 320 CD GLU A 21 -31.081 -6.318 0.713 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.242 -6.403 0.265 1.00 31.02 O ATOM 322 OE2 GLU A 21 -30.331 -5.349 0.460 1.00 2.14 O ATOM 0 H GLU A 21 -29.998 -8.241 -1.678 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.229 -7.319 0.472 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.666 -9.057 0.242 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -29.577 -9.319 1.590 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.400 -7.807 2.212 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -29.849 -6.999 2.321 1.00 25.00 H new ATOM 329 N ALA A 22 -27.034 -9.335 -1.253 1.00 13.31 N ATOM 330 CA ALA A 22 -26.005 -10.325 -1.487 1.00 45.34 C ATOM 331 C ALA A 22 -24.675 -9.640 -1.751 1.00 74.40 C ATOM 332 O ALA A 22 -24.630 -8.560 -2.342 1.00 53.45 O ATOM 333 CB ALA A 22 -26.382 -11.215 -2.650 1.00 43.43 C ATOM 0 H ALA A 22 -27.168 -8.680 -2.023 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.908 -10.947 -0.597 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.597 -11.954 -2.812 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.320 -11.725 -2.429 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.501 -10.609 -3.548 1.00 43.43 H new ATOM 339 N GLU A 23 -23.594 -10.270 -1.325 1.00 31.23 N ATOM 340 CA GLU A 23 -22.284 -9.649 -1.408 1.00 5.24 C ATOM 341 C GLU A 23 -21.496 -10.159 -2.601 1.00 11.04 C ATOM 342 O GLU A 23 -21.216 -11.355 -2.722 1.00 5.32 O ATOM 343 CB GLU A 23 -21.500 -9.873 -0.115 1.00 2.23 C ATOM 344 CG GLU A 23 -22.067 -9.108 1.067 1.00 32.11 C ATOM 345 CD GLU A 23 -22.095 -7.614 0.820 1.00 53.32 C ATOM 346 OE1 GLU A 23 -21.038 -6.965 0.975 1.00 74.04 O ATOM 347 OE2 GLU A 23 -23.168 -7.082 0.468 1.00 2.10 O ATOM 0 H GLU A 23 -23.597 -11.206 -0.920 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.437 -8.579 -1.546 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -21.493 -10.938 0.119 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -20.463 -9.574 -0.270 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -23.078 -9.459 1.274 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -21.469 -9.317 1.954 1.00 32.11 H new ATOM 354 N ILE A 24 -21.139 -9.238 -3.481 1.00 13.41 N ATOM 355 CA ILE A 24 -20.334 -9.563 -4.643 1.00 74.24 C ATOM 356 C ILE A 24 -18.863 -9.455 -4.275 1.00 61.32 C ATOM 357 O ILE A 24 -18.355 -8.364 -4.020 1.00 75.31 O ATOM 358 CB ILE A 24 -20.626 -8.627 -5.845 1.00 14.12 C ATOM 359 CG1 ILE A 24 -22.094 -8.708 -6.273 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.724 -8.971 -7.023 1.00 42.15 C ATOM 361 CD1 ILE A 24 -23.043 -7.919 -5.397 1.00 33.11 C ATOM 0 H ILE A 24 -21.397 -8.254 -3.410 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.588 -10.579 -4.946 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.420 -7.606 -5.523 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.182 -8.349 -7.298 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.403 -9.753 -6.274 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.944 -8.304 -7.856 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.681 -8.853 -6.729 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.901 -10.002 -7.328 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -24.061 -8.031 -5.770 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.989 -8.291 -4.374 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.764 -6.865 -5.415 1.00 33.11 H new ATOM 373 N THR A 25 -18.185 -10.586 -4.226 1.00 14.02 N ATOM 374 CA THR A 25 -16.791 -10.603 -3.841 1.00 54.43 C ATOM 375 C THR A 25 -15.902 -10.925 -5.036 1.00 60.33 C ATOM 376 O THR A 25 -15.952 -12.031 -5.580 1.00 24.53 O ATOM 377 CB THR A 25 -16.539 -11.632 -2.722 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.523 -11.475 -1.690 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.148 -11.459 -2.131 1.00 30.53 C ATOM 0 H THR A 25 -18.577 -11.501 -4.448 1.00 14.02 H new ATOM 0 HA THR A 25 -16.542 -9.609 -3.469 1.00 54.43 H new ATOM 0 HB THR A 25 -16.612 -12.632 -3.150 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.361 -12.132 -0.981 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.993 -12.196 -1.343 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.401 -11.600 -2.912 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.052 -10.457 -1.714 1.00 30.53 H new ATOM 387 N VAL A 26 -15.087 -9.966 -5.437 1.00 74.44 N ATOM 388 CA VAL A 26 -14.134 -10.190 -6.503 1.00 13.43 C ATOM 389 C VAL A 26 -12.908 -10.864 -5.919 1.00 70.34 C ATOM 390 O VAL A 26 -12.180 -10.277 -5.117 1.00 52.34 O ATOM 391 CB VAL A 26 -13.733 -8.875 -7.204 1.00 24.42 C ATOM 392 CG1 VAL A 26 -12.750 -9.139 -8.336 1.00 41.35 C ATOM 393 CG2 VAL A 26 -14.969 -8.157 -7.722 1.00 35.24 C ATOM 0 H VAL A 26 -15.068 -9.027 -5.040 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.598 -10.826 -7.257 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.238 -8.234 -6.474 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -12.483 -8.196 -8.814 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -11.852 -9.610 -7.936 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -13.210 -9.800 -9.070 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -14.672 -7.231 -8.214 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -15.489 -8.797 -8.435 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -15.633 -7.928 -6.888 1.00 35.24 H new ATOM 403 N THR A 27 -12.709 -12.109 -6.299 1.00 53.51 N ATOM 404 CA THR A 27 -11.698 -12.939 -5.692 1.00 3.34 C ATOM 405 C THR A 27 -10.394 -12.873 -6.476 1.00 43.20 C ATOM 406 O THR A 27 -10.278 -13.421 -7.580 1.00 52.12 O ATOM 407 CB THR A 27 -12.190 -14.392 -5.595 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.470 -14.418 -4.942 1.00 55.14 O ATOM 409 CG2 THR A 27 -11.204 -15.255 -4.829 1.00 63.14 C ATOM 0 H THR A 27 -13.243 -12.570 -7.035 1.00 53.51 H new ATOM 0 HA THR A 27 -11.508 -12.563 -4.687 1.00 3.34 H new ATOM 0 HB THR A 27 -12.279 -14.796 -6.604 1.00 60.22 H new ATOM 0 HG1 THR A 27 -14.179 -14.496 -5.614 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.579 -16.277 -4.777 1.00 63.14 H new ATOM 0 HG22 THR A 27 -10.241 -15.248 -5.339 1.00 63.14 H new ATOM 0 HG23 THR A 27 -11.083 -14.861 -3.820 1.00 63.14 H new ATOM 417 N SER A 28 -9.427 -12.174 -5.903 1.00 23.54 N ATOM 418 CA SER A 28 -8.126 -12.026 -6.514 1.00 22.03 C ATOM 419 C SER A 28 -7.244 -13.203 -6.128 1.00 14.30 C ATOM 420 O SER A 28 -6.886 -13.373 -4.960 1.00 32.51 O ATOM 421 CB SER A 28 -7.482 -10.701 -6.085 1.00 23.21 C ATOM 422 OG SER A 28 -6.305 -10.430 -6.827 1.00 51.11 O ATOM 0 H SER A 28 -9.526 -11.698 -5.006 1.00 23.54 H new ATOM 0 HA SER A 28 -8.239 -12.011 -7.598 1.00 22.03 H new ATOM 0 HB2 SER A 28 -8.195 -9.888 -6.222 1.00 23.21 H new ATOM 0 HB3 SER A 28 -7.242 -10.739 -5.022 1.00 23.21 H new ATOM 0 HG SER A 28 -6.398 -10.794 -7.732 1.00 51.11 H new ATOM 428 N LEU A 29 -6.948 -14.041 -7.106 1.00 60.25 N ATOM 429 CA LEU A 29 -6.051 -15.163 -6.905 1.00 24.55 C ATOM 430 C LEU A 29 -4.622 -14.706 -7.145 1.00 12.10 C ATOM 431 O LEU A 29 -4.374 -13.515 -7.330 1.00 65.12 O ATOM 432 CB LEU A 29 -6.398 -16.294 -7.876 1.00 52.33 C ATOM 433 CG LEU A 29 -7.860 -16.747 -7.858 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.101 -17.788 -8.937 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.233 -17.299 -6.492 1.00 60.32 C ATOM 0 H LEU A 29 -7.319 -13.964 -8.053 1.00 60.25 H new ATOM 0 HA LEU A 29 -6.156 -15.531 -5.884 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.147 -15.972 -8.887 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -5.766 -17.153 -7.648 1.00 52.33 H new ATOM 0 HG LEU A 29 -8.493 -15.883 -8.061 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.145 -18.102 -8.913 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -7.873 -17.360 -9.913 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -7.459 -18.651 -8.760 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.276 -17.615 -6.500 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -7.597 -18.152 -6.258 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -8.094 -16.525 -5.737 1.00 60.32 H new ATOM 447 N VAL A 30 -3.683 -15.639 -7.145 1.00 4.40 N ATOM 448 CA VAL A 30 -2.321 -15.323 -7.536 1.00 1.44 C ATOM 449 C VAL A 30 -2.329 -14.847 -8.987 1.00 64.14 C ATOM 450 O VAL A 30 -3.004 -15.442 -9.831 1.00 15.34 O ATOM 451 CB VAL A 30 -1.385 -16.541 -7.383 1.00 71.32 C ATOM 452 CG1 VAL A 30 0.062 -16.141 -7.620 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.548 -17.174 -6.007 1.00 30.41 C ATOM 0 H VAL A 30 -3.838 -16.612 -6.881 1.00 4.40 H new ATOM 0 HA VAL A 30 -1.941 -14.540 -6.880 1.00 1.44 H new ATOM 0 HB VAL A 30 -1.662 -17.280 -8.135 1.00 71.32 H new ATOM 0 HG11 VAL A 30 0.704 -17.015 -7.507 1.00 52.04 H new ATOM 0 HG12 VAL A 30 0.168 -15.740 -8.628 1.00 52.04 H new ATOM 0 HG13 VAL A 30 0.353 -15.381 -6.895 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -0.880 -18.031 -5.919 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -1.302 -16.442 -5.238 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -2.579 -17.503 -5.878 1.00 30.41 H new ATOM 463 N GLY A 31 -1.603 -13.772 -9.269 1.00 42.32 N ATOM 464 CA GLY A 31 -1.667 -13.138 -10.574 1.00 63.24 C ATOM 465 C GLY A 31 -0.966 -13.916 -11.672 1.00 24.53 C ATOM 466 O GLY A 31 -0.075 -13.391 -12.339 1.00 24.33 O ATOM 0 H GLY A 31 -0.965 -13.324 -8.611 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -2.713 -13.002 -10.850 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -1.223 -12.145 -10.506 1.00 63.24 H new ATOM 470 N ASP A 32 -1.354 -15.167 -11.851 1.00 54.21 N ATOM 471 CA ASP A 32 -0.876 -15.972 -12.968 1.00 24.22 C ATOM 472 C ASP A 32 -2.034 -16.289 -13.895 1.00 21.34 C ATOM 473 O ASP A 32 -1.847 -16.808 -14.996 1.00 50.54 O ATOM 474 CB ASP A 32 -0.211 -17.260 -12.482 1.00 33.31 C ATOM 475 CG ASP A 32 1.157 -17.005 -11.884 1.00 63.05 C ATOM 476 OD1 ASP A 32 2.120 -16.804 -12.655 1.00 71.24 O ATOM 477 OD2 ASP A 32 1.274 -16.981 -10.643 1.00 1.50 O ATOM 0 H ASP A 32 -2.004 -15.653 -11.233 1.00 54.21 H new ATOM 0 HA ASP A 32 -0.123 -15.400 -13.510 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -0.848 -17.738 -11.738 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -0.118 -17.956 -13.316 1.00 33.31 H new ATOM 482 N ASN A 33 -3.234 -15.972 -13.435 1.00 11.01 N ATOM 483 CA ASN A 33 -4.430 -16.100 -14.250 1.00 33.31 C ATOM 484 C ASN A 33 -4.881 -14.718 -14.700 1.00 73.15 C ATOM 485 O ASN A 33 -4.903 -13.779 -13.902 1.00 35.41 O ATOM 486 CB ASN A 33 -5.564 -16.788 -13.477 1.00 23.21 C ATOM 487 CG ASN A 33 -5.348 -18.281 -13.282 1.00 63.34 C ATOM 488 OD1 ASN A 33 -4.222 -18.753 -13.124 1.00 61.15 O ATOM 489 ND2 ASN A 33 -6.436 -19.037 -13.303 1.00 30.04 N ATOM 0 H ASN A 33 -3.405 -15.621 -12.493 1.00 11.01 H new ATOM 0 HA ASN A 33 -4.191 -16.717 -15.116 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -5.668 -16.314 -12.501 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -6.502 -16.631 -14.009 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -6.357 -20.047 -13.186 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -7.352 -18.609 -13.436 1.00 30.04 H new ATOM 496 N ASN A 34 -5.219 -14.596 -15.974 1.00 61.41 N ATOM 497 CA ASN A 34 -5.644 -13.317 -16.538 1.00 4.13 C ATOM 498 C ASN A 34 -6.981 -12.890 -15.951 1.00 1.44 C ATOM 499 O ASN A 34 -7.205 -11.714 -15.658 1.00 40.12 O ATOM 500 CB ASN A 34 -5.752 -13.423 -18.063 1.00 53.13 C ATOM 501 CG ASN A 34 -6.164 -12.119 -18.721 1.00 60.20 C ATOM 502 OD1 ASN A 34 -7.351 -11.848 -18.901 1.00 22.32 O ATOM 503 ND2 ASN A 34 -5.185 -11.313 -19.101 1.00 24.41 N ATOM 0 H ASN A 34 -5.208 -15.367 -16.641 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.897 -12.564 -16.285 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.791 -13.740 -18.468 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.477 -14.197 -18.317 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -5.402 -10.429 -19.562 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -4.214 -11.576 -18.933 1.00 24.41 H new ATOM 510 N HIS A 35 -7.864 -13.857 -15.772 1.00 11.54 N ATOM 511 CA HIS A 35 -9.179 -13.595 -15.220 1.00 21.41 C ATOM 512 C HIS A 35 -9.201 -13.988 -13.751 1.00 54.15 C ATOM 513 O HIS A 35 -8.585 -14.979 -13.358 1.00 54.44 O ATOM 514 CB HIS A 35 -10.250 -14.379 -15.983 1.00 25.33 C ATOM 515 CG HIS A 35 -10.281 -14.097 -17.454 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.764 -14.960 -18.393 1.00 35.21 N ATOM 517 CD2 HIS A 35 -10.782 -13.046 -18.149 1.00 50.13 C ATOM 518 CE1 HIS A 35 -9.945 -14.455 -19.599 1.00 24.43 C ATOM 519 NE2 HIS A 35 -10.561 -13.296 -19.483 1.00 23.03 N ATOM 0 H HIS A 35 -7.691 -14.835 -16.003 1.00 11.54 H new ATOM 0 HA HIS A 35 -9.395 -12.531 -15.317 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -10.082 -15.445 -15.832 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -11.227 -14.147 -15.559 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -11.265 -12.174 -17.732 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -9.639 -14.915 -20.527 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -10.829 -12.685 -20.255 1.00 23.03 H new ATOM 528 N TYR A 36 -9.918 -13.226 -12.945 1.00 43.33 N ATOM 529 CA TYR A 36 -9.994 -13.500 -11.519 1.00 71.31 C ATOM 530 C TYR A 36 -11.324 -14.151 -11.183 1.00 40.50 C ATOM 531 O TYR A 36 -12.212 -14.240 -12.033 1.00 24.43 O ATOM 532 CB TYR A 36 -9.815 -12.218 -10.707 1.00 22.12 C ATOM 533 CG TYR A 36 -8.422 -11.633 -10.781 1.00 15.02 C ATOM 534 CD1 TYR A 36 -7.443 -12.023 -9.878 1.00 41.21 C ATOM 535 CD2 TYR A 36 -8.085 -10.688 -11.744 1.00 43.30 C ATOM 536 CE1 TYR A 36 -6.172 -11.487 -9.926 1.00 62.32 C ATOM 537 CE2 TYR A 36 -6.812 -10.149 -11.801 1.00 62.54 C ATOM 538 CZ TYR A 36 -5.859 -10.553 -10.890 1.00 1.54 C ATOM 539 OH TYR A 36 -4.591 -10.021 -10.940 1.00 12.31 O ATOM 0 H TYR A 36 -10.455 -12.415 -13.251 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.187 -14.184 -11.258 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -10.530 -11.474 -11.059 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.057 -12.424 -9.664 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -7.680 -12.759 -9.124 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -8.829 -10.370 -12.459 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -5.425 -11.798 -9.211 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -6.566 -9.416 -12.555 1.00 62.54 H new ATOM 0 HH TYR A 36 -4.535 -9.378 -11.678 1.00 12.31 H new ATOM 549 N SER A 37 -11.468 -14.596 -9.948 1.00 2.23 N ATOM 550 CA SER A 37 -12.638 -15.356 -9.560 1.00 21.11 C ATOM 551 C SER A 37 -13.751 -14.442 -9.065 1.00 62.15 C ATOM 552 O SER A 37 -13.498 -13.367 -8.524 1.00 50.13 O ATOM 553 CB SER A 37 -12.266 -16.368 -8.482 1.00 62.23 C ATOM 554 OG SER A 37 -11.281 -17.268 -8.959 1.00 63.00 O ATOM 0 H SER A 37 -10.791 -14.444 -9.200 1.00 2.23 H new ATOM 0 HA SER A 37 -13.007 -15.886 -10.438 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.893 -15.847 -7.600 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.153 -16.922 -8.174 1.00 62.23 H new ATOM 0 HG SER A 37 -11.281 -18.077 -8.405 1.00 63.00 H new ATOM 560 N ILE A 38 -14.981 -14.872 -9.267 1.00 34.53 N ATOM 561 CA ILE A 38 -16.131 -14.135 -8.786 1.00 12.35 C ATOM 562 C ILE A 38 -16.871 -14.949 -7.731 1.00 21.51 C ATOM 563 O ILE A 38 -17.443 -15.999 -8.023 1.00 24.12 O ATOM 564 CB ILE A 38 -17.093 -13.750 -9.935 1.00 73.40 C ATOM 565 CG1 ILE A 38 -17.376 -14.959 -10.840 1.00 24.33 C ATOM 566 CG2 ILE A 38 -16.513 -12.596 -10.745 1.00 23.22 C ATOM 567 CD1 ILE A 38 -18.375 -14.679 -11.944 1.00 24.22 C ATOM 0 H ILE A 38 -15.209 -15.733 -9.764 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.766 -13.210 -8.340 1.00 12.35 H new ATOM 0 HB ILE A 38 -18.038 -13.428 -9.498 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -16.440 -15.293 -11.287 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.747 -15.780 -10.227 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -17.200 -12.335 -11.550 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.370 -11.732 -10.096 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -15.554 -12.895 -11.169 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -18.522 -15.580 -12.539 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -19.326 -14.375 -11.506 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -17.998 -13.880 -12.582 1.00 24.22 H new ATOM 579 N LYS A 39 -16.829 -14.481 -6.497 1.00 62.41 N ATOM 580 CA LYS A 39 -17.498 -15.167 -5.410 1.00 70.34 C ATOM 581 C LYS A 39 -18.779 -14.430 -5.052 1.00 25.51 C ATOM 582 O LYS A 39 -18.745 -13.318 -4.527 1.00 73.43 O ATOM 583 CB LYS A 39 -16.582 -15.279 -4.186 1.00 35.52 C ATOM 584 CG LYS A 39 -17.160 -16.150 -3.080 1.00 1.32 C ATOM 585 CD LYS A 39 -16.237 -16.260 -1.873 1.00 0.22 C ATOM 586 CE LYS A 39 -14.908 -16.923 -2.210 1.00 64.33 C ATOM 587 NZ LYS A 39 -13.875 -15.937 -2.631 1.00 52.43 N ATOM 0 H LYS A 39 -16.339 -13.629 -6.224 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.746 -16.178 -5.734 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.621 -15.688 -4.496 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.391 -14.281 -3.791 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.118 -15.738 -2.763 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.356 -17.147 -3.474 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -16.050 -15.264 -1.471 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -16.736 -16.831 -1.090 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -14.549 -17.474 -1.341 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.059 -17.650 -3.008 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -12.944 -16.238 -2.279 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -13.851 -15.881 -3.669 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -14.108 -15.002 -2.240 1.00 52.43 H new ATOM 601 N VAL A 40 -19.902 -15.048 -5.360 1.00 63.22 N ATOM 602 CA VAL A 40 -21.192 -14.439 -5.112 1.00 35.24 C ATOM 603 C VAL A 40 -21.786 -14.991 -3.825 1.00 33.00 C ATOM 604 O VAL A 40 -22.254 -16.131 -3.782 1.00 4.22 O ATOM 605 CB VAL A 40 -22.165 -14.688 -6.285 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.450 -13.899 -6.098 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.512 -14.334 -7.614 1.00 42.04 C ATOM 0 H VAL A 40 -19.946 -15.975 -5.784 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.044 -13.363 -5.015 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.413 -15.749 -6.296 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.120 -14.090 -6.936 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -23.933 -14.205 -5.170 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.220 -12.834 -6.053 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.216 -14.517 -8.426 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.228 -13.282 -7.611 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.624 -14.949 -7.758 1.00 42.04 H new ATOM 617 N ILE A 41 -21.740 -14.193 -2.772 1.00 54.23 N ATOM 618 CA ILE A 41 -22.282 -14.601 -1.491 1.00 33.03 C ATOM 619 C ILE A 41 -23.761 -14.264 -1.435 1.00 40.43 C ATOM 620 O ILE A 41 -24.148 -13.114 -1.209 1.00 0.12 O ATOM 621 CB ILE A 41 -21.538 -13.938 -0.311 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.065 -14.360 -0.306 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.197 -14.297 1.015 1.00 50.41 C ATOM 624 CD1 ILE A 41 -19.858 -15.857 -0.203 1.00 73.31 C ATOM 0 H ILE A 41 -21.332 -13.258 -2.781 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.145 -15.678 -1.395 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.592 -12.857 -0.437 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -19.590 -13.999 -1.218 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.561 -13.875 0.529 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -21.656 -13.819 1.831 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.231 -13.951 1.013 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.177 -15.378 1.150 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -18.791 -16.078 -0.205 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.302 -16.223 0.723 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.332 -16.349 -1.052 1.00 73.31 H new ATOM 636 N SER A 42 -24.580 -15.268 -1.686 1.00 20.34 N ATOM 637 CA SER A 42 -26.018 -15.091 -1.722 1.00 24.41 C ATOM 638 C SER A 42 -26.715 -16.300 -1.118 1.00 53.10 C ATOM 639 O SER A 42 -26.327 -17.441 -1.376 1.00 71.22 O ATOM 640 CB SER A 42 -26.483 -14.905 -3.165 1.00 15.34 C ATOM 641 OG SER A 42 -25.690 -13.945 -3.838 1.00 44.11 O ATOM 0 H SER A 42 -24.270 -16.222 -1.869 1.00 20.34 H new ATOM 0 HA SER A 42 -26.273 -14.205 -1.140 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.431 -15.858 -3.692 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.527 -14.591 -3.176 1.00 15.34 H new ATOM 0 HG SER A 42 -26.008 -13.846 -4.760 1.00 44.11 H new ATOM 647 N SER A 43 -27.755 -16.052 -0.335 1.00 30.43 N ATOM 648 CA SER A 43 -28.544 -17.128 0.252 1.00 73.12 C ATOM 649 C SER A 43 -29.291 -17.898 -0.839 1.00 23.01 C ATOM 650 O SER A 43 -29.802 -18.994 -0.611 1.00 1.22 O ATOM 651 CB SER A 43 -29.522 -16.553 1.279 1.00 14.53 C ATOM 652 OG SER A 43 -28.820 -15.847 2.292 1.00 21.44 O ATOM 0 H SER A 43 -28.073 -15.114 -0.091 1.00 30.43 H new ATOM 0 HA SER A 43 -27.876 -17.824 0.759 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.228 -15.885 0.784 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.105 -17.358 1.726 1.00 14.53 H new ATOM 0 HG SER A 43 -29.459 -15.484 2.940 1.00 21.44 H new ATOM 658 N GLN A 44 -29.322 -17.322 -2.038 1.00 22.21 N ATOM 659 CA GLN A 44 -29.936 -17.966 -3.194 1.00 35.52 C ATOM 660 C GLN A 44 -29.070 -19.120 -3.689 1.00 53.44 C ATOM 661 O GLN A 44 -29.490 -19.905 -4.537 1.00 5.22 O ATOM 662 CB GLN A 44 -30.136 -16.954 -4.323 1.00 53.01 C ATOM 663 CG GLN A 44 -31.045 -15.790 -3.958 1.00 53.14 C ATOM 664 CD GLN A 44 -32.448 -16.229 -3.589 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.317 -16.354 -4.451 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.682 -16.447 -2.305 1.00 42.54 N ATOM 0 H GLN A 44 -28.925 -16.403 -2.234 1.00 22.21 H new ATOM 0 HA GLN A 44 -30.906 -18.358 -2.888 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.164 -16.562 -4.622 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -30.552 -17.469 -5.189 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -30.609 -15.244 -3.121 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.096 -15.098 -4.799 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -31.932 -16.332 -1.623 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -33.612 -16.730 -1.997 1.00 42.54 H new ATOM 675 N PHE A 45 -27.854 -19.209 -3.163 1.00 2.34 N ATOM 676 CA PHE A 45 -26.934 -20.267 -3.555 1.00 54.05 C ATOM 677 C PHE A 45 -26.664 -21.216 -2.393 1.00 52.21 C ATOM 678 O PHE A 45 -25.742 -22.030 -2.444 1.00 54.32 O ATOM 679 CB PHE A 45 -25.613 -19.677 -4.057 1.00 21.10 C ATOM 680 CG PHE A 45 -25.725 -18.928 -5.356 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.017 -19.596 -6.535 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.516 -17.560 -5.400 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.097 -18.912 -7.734 1.00 25.21 C ATOM 684 CE2 PHE A 45 -25.599 -16.870 -6.596 1.00 22.14 C ATOM 685 CZ PHE A 45 -25.889 -17.547 -7.764 1.00 32.51 C ATOM 0 H PHE A 45 -27.484 -18.563 -2.466 1.00 2.34 H new ATOM 0 HA PHE A 45 -27.402 -20.829 -4.363 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -25.216 -19.005 -3.296 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -24.890 -20.484 -4.177 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.184 -20.663 -6.517 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.286 -17.026 -4.490 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.322 -19.445 -8.646 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.437 -15.802 -6.616 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.953 -17.010 -8.699 1.00 32.51 H new ATOM 695 N GLN A 46 -27.475 -21.122 -1.353 1.00 72.45 N ATOM 696 CA GLN A 46 -27.294 -21.956 -0.180 1.00 75.13 C ATOM 697 C GLN A 46 -28.539 -22.788 0.098 1.00 33.34 C ATOM 698 O GLN A 46 -29.610 -22.247 0.379 1.00 13.13 O ATOM 699 CB GLN A 46 -26.962 -21.079 1.026 1.00 64.41 C ATOM 700 CG GLN A 46 -26.774 -21.844 2.326 1.00 21.44 C ATOM 701 CD GLN A 46 -25.564 -22.762 2.315 1.00 44.02 C ATOM 702 OE1 GLN A 46 -25.173 -23.301 1.278 1.00 34.13 O ATOM 703 NE2 GLN A 46 -24.963 -22.953 3.474 1.00 64.01 N ATOM 0 H GLN A 46 -28.264 -20.477 -1.298 1.00 72.45 H new ATOM 0 HA GLN A 46 -26.468 -22.643 -0.366 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -26.051 -20.519 0.813 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -27.761 -20.349 1.160 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -26.674 -21.133 3.146 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -27.668 -22.435 2.524 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -25.314 -22.491 4.313 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -24.148 -23.563 3.531 1.00 64.01 H new ATOM 712 N GLY A 47 -28.390 -24.105 0.011 1.00 61.23 N ATOM 713 CA GLY A 47 -29.485 -25.000 0.322 1.00 30.52 C ATOM 714 C GLY A 47 -30.396 -25.245 -0.865 1.00 5.25 C ATOM 715 O GLY A 47 -31.550 -25.639 -0.698 1.00 33.03 O ATOM 0 H GLY A 47 -27.526 -24.569 -0.271 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.083 -25.952 0.669 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.068 -24.582 1.142 1.00 30.52 H new ATOM 719 N LYS A 48 -29.880 -25.024 -2.064 1.00 74.22 N ATOM 720 CA LYS A 48 -30.671 -25.187 -3.274 1.00 25.13 C ATOM 721 C LYS A 48 -30.281 -26.478 -3.982 1.00 55.24 C ATOM 722 O LYS A 48 -29.527 -27.287 -3.440 1.00 42.13 O ATOM 723 CB LYS A 48 -30.468 -23.991 -4.207 1.00 2.30 C ATOM 724 CG LYS A 48 -30.629 -22.642 -3.520 1.00 31.41 C ATOM 725 CD LYS A 48 -32.016 -22.456 -2.917 1.00 43.32 C ATOM 726 CE LYS A 48 -33.020 -21.894 -3.919 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.411 -22.876 -4.967 1.00 10.22 N ATOM 0 H LYS A 48 -28.916 -24.731 -2.225 1.00 74.22 H new ATOM 0 HA LYS A 48 -31.725 -25.239 -3.000 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -29.472 -24.049 -4.645 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -31.181 -24.058 -5.028 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -29.879 -22.546 -2.735 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.440 -21.846 -4.240 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.378 -23.414 -2.544 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.949 -21.785 -2.060 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -33.912 -21.566 -3.385 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.593 -21.012 -4.397 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.371 -22.660 -5.304 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.744 -22.819 -5.763 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -33.392 -23.836 -4.568 1.00 10.22 H new ATOM 741 N SER A 49 -30.789 -26.672 -5.189 1.00 13.41 N ATOM 742 CA SER A 49 -30.499 -27.877 -5.953 1.00 51.51 C ATOM 743 C SER A 49 -29.196 -27.727 -6.733 1.00 12.24 C ATOM 744 O SER A 49 -28.942 -26.679 -7.330 1.00 74.40 O ATOM 745 CB SER A 49 -31.658 -28.179 -6.901 1.00 73.24 C ATOM 746 OG SER A 49 -32.871 -28.323 -6.178 1.00 23.44 O ATOM 0 H SER A 49 -31.405 -26.010 -5.662 1.00 13.41 H new ATOM 0 HA SER A 49 -30.380 -28.709 -5.259 1.00 51.51 H new ATOM 0 HB2 SER A 49 -31.757 -27.375 -7.631 1.00 73.24 H new ATOM 0 HB3 SER A 49 -31.450 -29.092 -7.459 1.00 73.24 H new ATOM 0 HG SER A 49 -33.603 -28.514 -6.801 1.00 23.44 H new ATOM 752 N LYS A 50 -28.376 -28.776 -6.727 1.00 4.42 N ATOM 753 CA LYS A 50 -27.081 -28.749 -7.400 1.00 71.43 C ATOM 754 C LYS A 50 -27.227 -28.412 -8.879 1.00 23.45 C ATOM 755 O LYS A 50 -26.523 -27.542 -9.392 1.00 32.41 O ATOM 756 CB LYS A 50 -26.359 -30.088 -7.255 1.00 4.10 C ATOM 757 CG LYS A 50 -25.956 -30.422 -5.830 1.00 64.11 C ATOM 758 CD LYS A 50 -25.131 -31.696 -5.777 1.00 23.40 C ATOM 759 CE LYS A 50 -25.867 -32.870 -6.402 1.00 14.31 C ATOM 760 NZ LYS A 50 -24.976 -34.046 -6.585 1.00 52.11 N ATOM 0 H LYS A 50 -28.588 -29.658 -6.261 1.00 4.42 H new ATOM 0 HA LYS A 50 -26.490 -27.969 -6.920 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -27.005 -30.880 -7.634 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -25.467 -30.077 -7.881 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -25.383 -29.596 -5.408 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -26.848 -30.537 -5.214 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -24.187 -31.540 -6.298 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -24.888 -31.929 -4.740 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -26.711 -33.148 -5.770 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -26.276 -32.570 -7.367 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -25.514 -34.826 -7.014 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -24.184 -33.788 -7.208 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -24.605 -34.348 -5.661 1.00 52.11 H new ATOM 774 N LEU A 51 -28.141 -29.099 -9.556 1.00 35.35 N ATOM 775 CA LEU A 51 -28.367 -28.874 -10.980 1.00 23.42 C ATOM 776 C LEU A 51 -28.741 -27.422 -11.236 1.00 5.20 C ATOM 777 O LEU A 51 -28.245 -26.803 -12.178 1.00 63.51 O ATOM 778 CB LEU A 51 -29.468 -29.797 -11.509 1.00 12.31 C ATOM 779 CG LEU A 51 -29.126 -31.289 -11.513 1.00 32.31 C ATOM 780 CD1 LEU A 51 -30.309 -32.102 -12.011 1.00 43.12 C ATOM 781 CD2 LEU A 51 -27.899 -31.556 -12.371 1.00 32.51 C ATOM 0 H LEU A 51 -28.737 -29.816 -9.142 1.00 35.35 H new ATOM 0 HA LEU A 51 -27.441 -29.100 -11.508 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -30.364 -29.648 -10.907 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -29.714 -29.495 -12.527 1.00 12.31 H new ATOM 0 HG LEU A 51 -28.901 -31.593 -10.490 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -30.050 -33.161 -12.008 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -31.165 -31.936 -11.357 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -30.561 -31.793 -13.025 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -27.673 -32.622 -12.361 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -28.094 -31.237 -13.395 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -27.049 -31.001 -11.974 1.00 32.51 H new ATOM 793 N GLU A 52 -29.597 -26.881 -10.374 1.00 71.20 N ATOM 794 CA GLU A 52 -30.009 -25.511 -10.442 1.00 3.31 C ATOM 795 C GLU A 52 -28.804 -24.578 -10.353 1.00 30.12 C ATOM 796 O GLU A 52 -28.633 -23.688 -11.183 1.00 1.51 O ATOM 797 CB GLU A 52 -30.969 -25.259 -9.288 1.00 30.33 C ATOM 798 CG GLU A 52 -31.484 -23.859 -9.262 1.00 23.32 C ATOM 799 CD GLU A 52 -32.358 -23.571 -8.059 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.841 -23.616 -6.925 1.00 33.02 O ATOM 801 OE2 GLU A 52 -33.563 -23.302 -8.242 1.00 61.13 O ATOM 0 H GLU A 52 -30.020 -27.400 -9.605 1.00 71.20 H new ATOM 0 HA GLU A 52 -30.501 -25.313 -11.394 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -31.809 -25.949 -9.362 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.463 -25.473 -8.347 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.641 -23.168 -9.265 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -32.054 -23.671 -10.172 1.00 23.32 H new ATOM 808 N GLN A 53 -27.961 -24.810 -9.353 1.00 12.11 N ATOM 809 CA GLN A 53 -26.777 -23.986 -9.128 1.00 42.34 C ATOM 810 C GLN A 53 -25.854 -24.018 -10.340 1.00 43.01 C ATOM 811 O GLN A 53 -25.401 -22.976 -10.826 1.00 50.30 O ATOM 812 CB GLN A 53 -26.015 -24.482 -7.898 1.00 43.04 C ATOM 813 CG GLN A 53 -26.870 -24.588 -6.648 1.00 62.32 C ATOM 814 CD GLN A 53 -27.423 -23.254 -6.202 1.00 34.52 C ATOM 815 OE1 GLN A 53 -26.797 -22.552 -5.420 1.00 70.33 O ATOM 816 NE2 GLN A 53 -28.603 -22.902 -6.687 1.00 33.33 N ATOM 0 H GLN A 53 -28.076 -25.568 -8.680 1.00 12.11 H new ATOM 0 HA GLN A 53 -27.107 -22.960 -8.964 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -25.587 -25.460 -8.118 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -25.183 -23.806 -7.701 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -27.696 -25.274 -6.835 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.275 -25.018 -5.842 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -29.091 -23.518 -7.337 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -29.024 -22.015 -6.411 1.00 33.33 H new ATOM 825 N HIS A 54 -25.600 -25.221 -10.842 1.00 11.40 N ATOM 826 CA HIS A 54 -24.689 -25.404 -11.965 1.00 50.22 C ATOM 827 C HIS A 54 -25.263 -24.749 -13.215 1.00 75.33 C ATOM 828 O HIS A 54 -24.542 -24.101 -13.972 1.00 22.05 O ATOM 829 CB HIS A 54 -24.407 -26.895 -12.203 1.00 60.03 C ATOM 830 CG HIS A 54 -23.872 -27.602 -10.988 1.00 0.23 C ATOM 831 ND1 HIS A 54 -24.150 -28.919 -10.700 1.00 44.12 N ATOM 832 CD2 HIS A 54 -23.106 -27.151 -9.967 1.00 72.31 C ATOM 833 CE1 HIS A 54 -23.587 -29.246 -9.552 1.00 21.24 C ATOM 834 NE2 HIS A 54 -22.944 -28.191 -9.086 1.00 73.11 N ATOM 0 H HIS A 54 -26.012 -26.084 -10.489 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.740 -24.923 -11.727 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -25.326 -27.385 -12.524 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.691 -26.996 -13.018 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -22.698 -26.156 -9.865 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -23.643 -30.213 -9.074 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -22.414 -28.155 -8.215 1.00 73.11 H new ATOM 843 N ARG A 55 -26.571 -24.893 -13.409 1.00 60.31 N ATOM 844 CA ARG A 55 -27.258 -24.227 -14.509 1.00 40.14 C ATOM 845 C ARG A 55 -27.105 -22.720 -14.406 1.00 43.34 C ATOM 846 O ARG A 55 -26.819 -22.051 -15.398 1.00 3.25 O ATOM 847 CB ARG A 55 -28.743 -24.581 -14.522 1.00 52.11 C ATOM 848 CG ARG A 55 -29.054 -25.878 -15.251 1.00 35.13 C ATOM 849 CD ARG A 55 -30.545 -26.172 -15.255 1.00 61.41 C ATOM 850 NE ARG A 55 -30.874 -27.334 -16.085 1.00 74.14 N ATOM 851 CZ ARG A 55 -32.117 -27.735 -16.356 1.00 14.23 C ATOM 852 NH1 ARG A 55 -33.161 -27.097 -15.830 1.00 74.13 N ATOM 853 NH2 ARG A 55 -32.310 -28.786 -17.145 1.00 52.14 N ATOM 0 H ARG A 55 -27.175 -25.465 -12.819 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.801 -24.573 -15.436 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.099 -24.657 -13.494 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.297 -23.768 -14.991 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -28.692 -25.815 -16.277 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.521 -26.701 -14.775 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.882 -26.349 -14.234 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -31.085 -25.300 -15.622 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.103 -27.871 -16.481 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -33.013 -26.296 -15.216 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -34.109 -27.409 -16.041 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.510 -29.281 -17.540 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -33.258 -29.098 -17.356 1.00 52.14 H new ATOM 867 N MET A 56 -27.297 -22.195 -13.200 1.00 5.13 N ATOM 868 CA MET A 56 -27.180 -20.761 -12.963 1.00 13.24 C ATOM 869 C MET A 56 -25.796 -20.268 -13.366 1.00 73.24 C ATOM 870 O MET A 56 -25.663 -19.242 -14.039 1.00 12.14 O ATOM 871 CB MET A 56 -27.446 -20.418 -11.491 1.00 12.34 C ATOM 872 CG MET A 56 -28.882 -20.654 -11.051 1.00 75.15 C ATOM 873 SD MET A 56 -30.063 -19.645 -11.967 1.00 61.02 S ATOM 874 CE MET A 56 -29.549 -18.000 -11.478 1.00 11.14 C ATOM 0 H MET A 56 -27.534 -22.741 -12.372 1.00 5.13 H new ATOM 0 HA MET A 56 -27.931 -20.260 -13.574 1.00 13.24 H new ATOM 0 HB2 MET A 56 -26.782 -21.013 -10.864 1.00 12.34 H new ATOM 0 HB3 MET A 56 -27.192 -19.372 -11.321 1.00 12.34 H new ATOM 0 HG2 MET A 56 -29.130 -21.707 -11.183 1.00 75.15 H new ATOM 0 HG3 MET A 56 -28.972 -20.436 -9.987 1.00 75.15 H new ATOM 0 HE1 MET A 56 -30.350 -17.291 -11.688 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.327 -17.990 -10.411 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.657 -17.716 -12.037 1.00 11.14 H new ATOM 884 N ILE A 57 -24.774 -21.016 -12.962 1.00 55.45 N ATOM 885 CA ILE A 57 -23.400 -20.688 -13.322 1.00 13.21 C ATOM 886 C ILE A 57 -23.220 -20.663 -14.837 1.00 34.43 C ATOM 887 O ILE A 57 -22.701 -19.697 -15.387 1.00 62.10 O ATOM 888 CB ILE A 57 -22.398 -21.686 -12.703 1.00 42.03 C ATOM 889 CG1 ILE A 57 -22.431 -21.587 -11.173 1.00 2.03 C ATOM 890 CG2 ILE A 57 -20.994 -21.423 -13.235 1.00 32.31 C ATOM 891 CD1 ILE A 57 -21.507 -22.561 -10.471 1.00 2.10 C ATOM 0 H ILE A 57 -24.872 -21.852 -12.386 1.00 55.45 H new ATOM 0 HA ILE A 57 -23.196 -19.695 -12.921 1.00 13.21 H new ATOM 0 HB ILE A 57 -22.685 -22.698 -12.987 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -22.163 -20.572 -10.879 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.451 -21.759 -10.830 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -20.297 -22.134 -12.790 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -20.988 -21.539 -14.319 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -20.691 -20.408 -12.977 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -21.589 -22.427 -9.392 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -21.787 -23.581 -10.733 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -20.479 -22.376 -10.782 1.00 2.10 H new ATOM 903 N TYR A 58 -23.672 -21.714 -15.508 1.00 15.22 N ATOM 904 CA TYR A 58 -23.553 -21.800 -16.960 1.00 4.35 C ATOM 905 C TYR A 58 -24.294 -20.656 -17.648 1.00 73.40 C ATOM 906 O TYR A 58 -23.893 -20.208 -18.716 1.00 43.54 O ATOM 907 CB TYR A 58 -24.050 -23.152 -17.478 1.00 3.41 C ATOM 908 CG TYR A 58 -23.086 -24.288 -17.209 1.00 74.31 C ATOM 909 CD1 TYR A 58 -21.795 -24.255 -17.722 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.458 -25.387 -16.443 1.00 0.24 C ATOM 911 CE1 TYR A 58 -20.903 -25.283 -17.480 1.00 75.23 C ATOM 912 CE2 TYR A 58 -22.572 -26.419 -16.198 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.296 -26.360 -16.717 1.00 54.23 C ATOM 914 OH TYR A 58 -20.411 -27.385 -16.471 1.00 40.03 O ATOM 0 H TYR A 58 -24.124 -22.518 -15.072 1.00 15.22 H new ATOM 0 HA TYR A 58 -22.495 -21.711 -17.204 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -25.009 -23.381 -17.013 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -24.225 -23.080 -18.551 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -21.483 -23.412 -18.320 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -24.456 -25.435 -16.033 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -19.903 -25.242 -17.887 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -22.877 -27.267 -15.603 1.00 44.13 H new ATOM 0 HH TYR A 58 -20.845 -28.066 -15.916 1.00 40.03 H new ATOM 924 N LYS A 59 -25.377 -20.193 -17.038 1.00 73.42 N ATOM 925 CA LYS A 59 -26.121 -19.065 -17.583 1.00 51.11 C ATOM 926 C LYS A 59 -25.336 -17.757 -17.458 1.00 44.10 C ATOM 927 O LYS A 59 -25.168 -17.038 -18.444 1.00 22.41 O ATOM 928 CB LYS A 59 -27.476 -18.919 -16.890 1.00 13.12 C ATOM 929 CG LYS A 59 -28.454 -20.040 -17.207 1.00 73.15 C ATOM 930 CD LYS A 59 -29.805 -19.811 -16.545 1.00 61.04 C ATOM 931 CE LYS A 59 -30.444 -18.514 -17.017 1.00 2.45 C ATOM 932 NZ LYS A 59 -31.814 -18.333 -16.468 1.00 73.34 N ATOM 0 H LYS A 59 -25.758 -20.577 -16.173 1.00 73.42 H new ATOM 0 HA LYS A 59 -26.281 -19.270 -18.642 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -27.320 -18.881 -15.812 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -27.922 -17.968 -17.182 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -28.585 -20.114 -18.287 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -28.040 -20.990 -16.870 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -30.468 -20.647 -16.769 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -29.681 -19.784 -15.462 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -29.820 -17.673 -16.717 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -30.487 -18.507 -18.106 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -32.212 -17.437 -16.815 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -32.418 -19.122 -16.775 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -31.772 -18.313 -15.429 1.00 73.34 H new ATOM 946 N VAL A 60 -24.854 -17.456 -16.256 1.00 40.42 N ATOM 947 CA VAL A 60 -24.230 -16.158 -15.986 1.00 13.04 C ATOM 948 C VAL A 60 -22.764 -16.106 -16.418 1.00 62.12 C ATOM 949 O VAL A 60 -22.254 -15.044 -16.775 1.00 21.20 O ATOM 950 CB VAL A 60 -24.324 -15.787 -14.487 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.779 -15.718 -14.041 1.00 54.03 C ATOM 952 CG2 VAL A 60 -23.537 -16.773 -13.627 1.00 74.32 C ATOM 0 H VAL A 60 -24.881 -18.087 -15.455 1.00 40.42 H new ATOM 0 HA VAL A 60 -24.788 -15.434 -16.580 1.00 13.04 H new ATOM 0 HB VAL A 60 -23.879 -14.801 -14.355 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.823 -15.456 -12.984 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -26.303 -14.961 -14.625 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -26.253 -16.687 -14.195 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -23.620 -16.488 -12.578 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -23.939 -17.777 -13.764 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -22.488 -16.759 -13.924 1.00 74.32 H new ATOM 962 N LEU A 61 -22.090 -17.244 -16.397 1.00 32.20 N ATOM 963 CA LEU A 61 -20.654 -17.280 -16.637 1.00 23.13 C ATOM 964 C LEU A 61 -20.345 -17.741 -18.064 1.00 43.05 C ATOM 965 O LEU A 61 -19.213 -18.114 -18.382 1.00 70.44 O ATOM 966 CB LEU A 61 -19.986 -18.206 -15.612 1.00 21.35 C ATOM 967 CG LEU A 61 -18.459 -18.180 -15.586 1.00 63.31 C ATOM 968 CD1 LEU A 61 -17.950 -16.799 -15.200 1.00 14.42 C ATOM 969 CD2 LEU A 61 -17.929 -19.235 -14.631 1.00 52.20 C ATOM 0 H LEU A 61 -22.512 -18.155 -16.217 1.00 32.20 H new ATOM 0 HA LEU A 61 -20.254 -16.272 -16.523 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -20.352 -17.942 -14.620 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -20.310 -19.228 -15.809 1.00 21.35 H new ATOM 0 HG LEU A 61 -18.093 -18.407 -16.587 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -16.860 -16.803 -15.188 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -18.302 -16.066 -15.926 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -18.323 -16.537 -14.210 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -16.839 -19.204 -14.623 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -18.305 -19.038 -13.627 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -18.262 -20.221 -14.956 1.00 52.20 H new ATOM 981 N ASP A 62 -21.346 -17.700 -18.931 1.00 51.31 N ATOM 982 CA ASP A 62 -21.156 -18.124 -20.311 1.00 11.45 C ATOM 983 C ASP A 62 -20.667 -16.963 -21.163 1.00 35.13 C ATOM 984 O ASP A 62 -21.445 -16.092 -21.557 1.00 45.22 O ATOM 985 CB ASP A 62 -22.444 -18.690 -20.909 1.00 14.42 C ATOM 986 CG ASP A 62 -22.182 -19.510 -22.159 1.00 30.25 C ATOM 987 OD1 ASP A 62 -21.597 -18.973 -23.126 1.00 3.33 O ATOM 988 OD2 ASP A 62 -22.541 -20.708 -22.175 1.00 64.21 O ATOM 0 H ASP A 62 -22.289 -17.381 -18.707 1.00 51.31 H new ATOM 0 HA ASP A 62 -20.404 -18.913 -20.307 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -22.945 -19.312 -20.167 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -23.122 -17.871 -21.149 1.00 14.42 H new ATOM 993 N GLY A 63 -19.373 -16.941 -21.415 1.00 4.15 N ATOM 994 CA GLY A 63 -18.795 -15.951 -22.299 1.00 43.43 C ATOM 995 C GLY A 63 -17.746 -16.578 -23.182 1.00 33.13 C ATOM 996 O GLY A 63 -16.627 -16.073 -23.287 1.00 43.24 O ATOM 0 H GLY A 63 -18.702 -17.599 -21.019 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -19.576 -15.504 -22.914 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -18.351 -15.146 -21.713 1.00 43.43 H new ATOM 1000 N LEU A 64 -18.127 -17.686 -23.815 1.00 51.34 N ATOM 1001 CA LEU A 64 -17.198 -18.540 -24.548 1.00 3.45 C ATOM 1002 C LEU A 64 -16.179 -19.126 -23.583 1.00 42.35 C ATOM 1003 O LEU A 64 -15.012 -18.734 -23.559 1.00 0.34 O ATOM 1004 CB LEU A 64 -16.509 -17.791 -25.694 1.00 54.54 C ATOM 1005 CG LEU A 64 -17.438 -17.367 -26.834 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -16.659 -16.648 -27.922 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -18.162 -18.575 -27.412 1.00 63.23 C ATOM 0 H LEU A 64 -19.092 -18.017 -23.833 1.00 51.34 H new ATOM 0 HA LEU A 64 -17.766 -19.350 -25.006 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -16.025 -16.902 -25.289 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -15.722 -18.425 -26.102 1.00 54.54 H new ATOM 0 HG LEU A 64 -18.180 -16.679 -26.430 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -17.338 -16.355 -28.723 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -16.186 -15.759 -27.504 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -15.893 -17.313 -28.321 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -18.818 -18.253 -28.221 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -17.432 -19.287 -27.798 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -18.756 -19.051 -26.632 1.00 63.23 H new ATOM 1019 N ASN A 65 -16.652 -20.052 -22.765 1.00 64.21 N ATOM 1020 CA ASN A 65 -15.842 -20.645 -21.713 1.00 60.20 C ATOM 1021 C ASN A 65 -16.122 -22.138 -21.620 1.00 64.31 C ATOM 1022 O ASN A 65 -17.275 -22.564 -21.689 1.00 34.35 O ATOM 1023 CB ASN A 65 -16.148 -19.957 -20.380 1.00 11.43 C ATOM 1024 CG ASN A 65 -15.351 -20.526 -19.226 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -14.247 -21.033 -19.408 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -15.906 -20.439 -18.028 1.00 54.41 N ATOM 0 H ASN A 65 -17.605 -20.413 -22.811 1.00 64.21 H new ATOM 0 HA ASN A 65 -14.786 -20.506 -21.947 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -15.937 -18.891 -20.470 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -17.212 -20.054 -20.163 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -15.415 -20.801 -17.211 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -16.825 -20.010 -17.922 1.00 54.41 H new ATOM 1033 N ILE A 66 -15.072 -22.933 -21.469 1.00 12.30 N ATOM 1034 CA ILE A 66 -15.217 -24.381 -21.449 1.00 41.44 C ATOM 1035 C ILE A 66 -14.622 -24.978 -20.178 1.00 2.50 C ATOM 1036 O ILE A 66 -13.404 -25.088 -20.047 1.00 31.11 O ATOM 1037 CB ILE A 66 -14.554 -25.035 -22.682 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -15.118 -24.427 -23.970 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -14.774 -26.545 -22.665 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -14.439 -24.921 -25.230 1.00 65.41 C ATOM 0 H ILE A 66 -14.114 -22.601 -21.359 1.00 12.30 H new ATOM 0 HA ILE A 66 -16.286 -24.591 -21.474 1.00 41.44 H new ATOM 0 HB ILE A 66 -13.482 -24.842 -22.646 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -16.183 -24.652 -24.031 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -15.024 -23.342 -23.920 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -14.301 -26.991 -23.540 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -14.335 -26.966 -21.761 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -15.843 -26.757 -22.682 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -14.894 -24.445 -26.099 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -13.378 -24.672 -25.193 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -14.555 -26.002 -25.306 1.00 65.41 H new ATOM 1052 N HIS A 67 -15.500 -25.327 -19.236 1.00 15.31 N ATOM 1053 CA HIS A 67 -15.132 -26.067 -18.018 1.00 41.12 C ATOM 1054 C HIS A 67 -14.340 -25.227 -17.011 1.00 13.15 C ATOM 1055 O HIS A 67 -14.091 -25.681 -15.894 1.00 11.25 O ATOM 1056 CB HIS A 67 -14.345 -27.342 -18.358 1.00 61.24 C ATOM 1057 CG HIS A 67 -15.158 -28.404 -19.043 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -14.673 -29.666 -19.311 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -16.431 -28.389 -19.513 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -15.607 -30.377 -19.916 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -16.681 -29.626 -20.049 1.00 5.34 N ATOM 0 H HIS A 67 -16.494 -25.105 -19.293 1.00 15.31 H new ATOM 0 HA HIS A 67 -16.076 -26.335 -17.544 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.503 -27.076 -18.997 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -13.929 -27.755 -17.439 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -17.119 -27.558 -19.472 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -15.507 -31.401 -20.246 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -17.558 -29.918 -20.481 1.00 5.34 H new ATOM 1070 N ALA A 68 -13.945 -24.018 -17.384 1.00 1.04 N ATOM 1071 CA ALA A 68 -13.183 -23.167 -16.479 1.00 21.21 C ATOM 1072 C ALA A 68 -14.109 -22.472 -15.486 1.00 64.03 C ATOM 1073 O ALA A 68 -14.690 -21.425 -15.778 1.00 11.40 O ATOM 1074 CB ALA A 68 -12.360 -22.152 -17.255 1.00 11.23 C ATOM 0 H ALA A 68 -14.137 -23.607 -18.297 1.00 1.04 H new ATOM 0 HA ALA A 68 -12.495 -23.798 -15.917 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -11.800 -21.528 -16.558 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -11.666 -22.674 -17.914 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -13.023 -21.525 -17.851 1.00 11.23 H new ATOM 1080 N ILE A 69 -14.265 -23.082 -14.320 1.00 52.42 N ATOM 1081 CA ILE A 69 -15.136 -22.543 -13.286 1.00 0.05 C ATOM 1082 C ILE A 69 -14.390 -21.518 -12.435 1.00 34.51 C ATOM 1083 O ILE A 69 -13.658 -21.873 -11.512 1.00 0.24 O ATOM 1084 CB ILE A 69 -15.694 -23.666 -12.380 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -16.414 -24.721 -13.226 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -16.638 -23.089 -11.333 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -16.942 -25.894 -12.425 1.00 43.35 C ATOM 0 H ILE A 69 -13.798 -23.953 -14.066 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.973 -22.053 -13.784 1.00 0.05 H new ATOM 0 HB ILE A 69 -14.860 -24.142 -11.865 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -17.245 -24.248 -13.750 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -15.728 -25.093 -13.987 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -17.021 -23.894 -10.705 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -16.100 -22.371 -10.714 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -17.470 -22.589 -11.829 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -17.438 -26.597 -13.094 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -16.114 -26.394 -11.923 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -17.654 -25.536 -11.682 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.561 -20.248 -12.773 1.00 62.22 N ATOM 1100 CA GLN A 70 -13.929 -19.163 -12.027 1.00 45.13 C ATOM 1101 C GLN A 70 -14.934 -18.515 -11.079 1.00 54.23 C ATOM 1102 O GLN A 70 -14.713 -17.416 -10.571 1.00 20.23 O ATOM 1103 CB GLN A 70 -13.362 -18.113 -12.987 1.00 3.32 C ATOM 1104 CG GLN A 70 -14.415 -17.448 -13.862 1.00 45.50 C ATOM 1105 CD GLN A 70 -13.826 -16.408 -14.797 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -13.444 -16.716 -15.926 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -13.741 -15.171 -14.335 1.00 43.43 N ATOM 0 H GLN A 70 -15.133 -19.941 -13.560 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.110 -19.580 -11.441 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -12.847 -17.346 -12.409 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -12.616 -18.585 -13.627 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -14.928 -18.210 -14.449 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.165 -16.977 -13.227 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -14.068 -14.955 -13.394 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -13.348 -14.434 -14.920 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.030 -19.211 -10.833 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.094 -18.688 -9.992 1.00 32.34 C ATOM 1118 C ILE A 71 -17.154 -19.443 -8.666 1.00 21.45 C ATOM 1119 O ILE A 71 -16.955 -20.660 -8.624 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.462 -18.774 -10.705 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.565 -18.112 -9.870 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.811 -20.223 -10.988 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.880 -17.955 -10.609 1.00 61.50 C ATOM 0 H ILE A 71 -16.207 -20.144 -11.205 1.00 33.52 H new ATOM 0 HA ILE A 71 -16.872 -17.639 -9.794 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.388 -18.235 -11.649 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -19.733 -18.705 -8.971 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.222 -17.130 -9.545 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.777 -20.273 -11.491 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.046 -20.663 -11.627 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.861 -20.775 -10.050 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.611 -17.480 -9.955 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.729 -17.337 -11.494 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.247 -18.936 -10.911 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.378 -18.717 -7.585 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.625 -19.330 -6.290 1.00 11.31 C ATOM 1137 C GLN A 72 -19.014 -18.942 -5.809 1.00 41.51 C ATOM 1138 O GLN A 72 -19.257 -17.787 -5.464 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.578 -18.917 -5.245 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.217 -19.584 -5.402 1.00 75.12 C ATOM 1141 CD GLN A 72 -14.264 -18.807 -6.290 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -13.547 -17.925 -5.818 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.222 -19.146 -7.568 1.00 23.21 N ATOM 0 H GLN A 72 -17.394 -17.697 -7.578 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.554 -20.411 -6.411 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.444 -17.836 -5.293 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.966 -19.146 -4.253 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -14.766 -19.707 -4.418 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.356 -20.582 -5.817 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.833 -19.883 -7.921 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -13.579 -18.671 -8.201 1.00 23.21 H new ATOM 1152 N THR A 73 -19.927 -19.896 -5.816 1.00 51.10 N ATOM 1153 CA THR A 73 -21.296 -19.637 -5.401 1.00 71.51 C ATOM 1154 C THR A 73 -21.683 -20.484 -4.196 1.00 31.34 C ATOM 1155 O THR A 73 -21.521 -21.706 -4.208 1.00 0.24 O ATOM 1156 CB THR A 73 -22.283 -19.902 -6.553 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.923 -21.105 -7.247 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.305 -18.734 -7.522 1.00 60.22 C ATOM 0 H THR A 73 -19.747 -20.858 -6.104 1.00 51.10 H new ATOM 0 HA THR A 73 -21.350 -18.585 -5.120 1.00 71.51 H new ATOM 0 HB THR A 73 -23.280 -20.019 -6.128 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.698 -21.439 -7.746 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.009 -18.943 -8.328 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.613 -17.831 -6.996 1.00 60.22 H new ATOM 0 HG23 THR A 73 -21.309 -18.589 -7.939 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.178 -19.828 -3.158 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.610 -20.532 -1.972 1.00 10.41 C ATOM 1168 C GLY A 74 -22.394 -19.712 -0.723 1.00 15.25 C ATOM 1169 O GLY A 74 -22.651 -18.508 -0.712 1.00 44.31 O ATOM 0 H GLY A 74 -22.288 -18.815 -3.117 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.667 -20.784 -2.063 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.065 -21.472 -1.888 1.00 10.41 H new ATOM 1173 N CYS A 75 -21.909 -20.360 0.323 1.00 41.31 N ATOM 1174 CA CYS A 75 -21.650 -19.694 1.586 1.00 31.41 C ATOM 1175 C CYS A 75 -20.221 -19.961 2.031 1.00 22.14 C ATOM 1176 O CYS A 75 -19.738 -21.090 1.941 1.00 42.21 O ATOM 1177 CB CYS A 75 -22.631 -20.182 2.656 1.00 54.21 C ATOM 1178 SG CYS A 75 -22.463 -19.352 4.255 1.00 1.04 S ATOM 0 H CYS A 75 -21.685 -21.355 0.320 1.00 41.31 H new ATOM 0 HA CYS A 75 -21.786 -18.621 1.450 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -23.648 -20.040 2.291 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -22.490 -21.253 2.799 1.00 54.21 H new ATOM 0 HG CYS A 75 -23.337 -19.834 5.088 1.00 1.04 H new ATOM 1184 N LYS A 76 -19.547 -18.921 2.494 1.00 72.44 N ATOM 1185 CA LYS A 76 -18.192 -19.057 2.999 1.00 24.13 C ATOM 1186 C LYS A 76 -18.217 -19.125 4.520 1.00 65.44 C ATOM 1187 O LYS A 76 -18.049 -20.231 5.069 1.00 51.21 O ATOM 1188 CB LYS A 76 -17.313 -17.894 2.529 1.00 54.32 C ATOM 1189 CG LYS A 76 -15.867 -17.987 2.999 1.00 62.33 C ATOM 1190 CD LYS A 76 -15.188 -19.246 2.483 1.00 31.01 C ATOM 1191 CE LYS A 76 -13.770 -19.376 3.019 1.00 51.33 C ATOM 1192 NZ LYS A 76 -13.742 -19.473 4.502 1.00 72.41 N ATOM 1193 OXT LYS A 76 -18.441 -18.075 5.160 1.00 0.00 O ATOM 0 H LYS A 76 -19.918 -17.971 2.530 1.00 72.44 H new ATOM 0 HA LYS A 76 -17.764 -19.979 2.606 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -17.329 -17.856 1.440 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -17.742 -16.958 2.887 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -15.316 -17.110 2.658 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -15.837 -17.978 4.089 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -15.770 -20.120 2.775 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -15.166 -19.228 1.393 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -13.300 -20.260 2.589 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -13.182 -18.515 2.701 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -12.808 -19.811 4.810 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -13.925 -18.536 4.915 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -14.474 -20.140 4.820 1.00 72.41 H new TER 1207 LYS A 76