USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 11 SER OG : rot 180:sc= 1.15 USER MOD Set 1.2: B 102 LYS NZ :NH3+ 179:sc= 1.22! (180deg=0.744) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.0328 K(o=-0.13,f=-1.5!) USER MOD Set 2.2: B 114 TYR OH : rot 80:sc= -0.099 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -80:sc= -0.706 USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.0941 USER MOD Single : A 13 SER OG : rot -54:sc= 0.229 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 15 GLN : amide:sc= -1.08 K(o=-1.1,f=-11!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 1:sc= -0.316 USER MOD Single : A 23 ASN : amide:sc= -0.328! C(o=-0.33!,f=-6.2!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.016 USER MOD Single : A 29 SER OG : rot -96:sc= 0.326 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 82:sc= -2.14! USER MOD Single : A 32 MET CE :methyl 150:sc= -15.5! (180deg=-18.5!) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.288 F(o=-0.81,f=-0.29) USER MOD Single : B 103 GLN : amide:sc=-0.00372 K(o=-0.0037,f=-1) USER MOD Single : B 106 THR OG1 : rot -130:sc= -2.08 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 111:sc= 0.662 USER MOD Single : B 115 GLN : amide:sc= -0.476 K(o=-0.48,f=-2.4!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 150:sc= -0.489 USER MOD Single : B 123 ASN : amide:sc= -0.65 K(o=-0.65,f=-1.6) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -124:sc= 0.398 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot 97:sc= -1.54! USER MOD Single : B 132 MET CE :methyl -164:sc= -17.8! (180deg=-19.3!) USER MOD Single : B 133 GLN : amide:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.571 K(o=-0.57,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.937 -12.111 13.065 1.00 0.00 N ATOM 21 CA LYS A 2 4.193 -10.952 12.566 1.00 0.00 C ATOM 22 C LYS A 2 2.959 -11.394 11.764 1.00 0.00 C ATOM 23 O LYS A 2 2.638 -12.582 11.712 1.00 0.00 O ATOM 24 CB LYS A 2 5.113 -10.066 11.712 1.00 0.00 C ATOM 25 CG LYS A 2 5.499 -8.752 12.381 1.00 0.00 C ATOM 26 CD LYS A 2 6.127 -8.968 13.754 1.00 0.00 C ATOM 27 CE LYS A 2 5.771 -7.842 14.715 1.00 0.00 C ATOM 28 NZ LYS A 2 6.791 -7.681 15.794 1.00 0.00 N ATOM 0 HA LYS A 2 3.842 -10.371 13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.020 -10.622 11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.617 -9.849 10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.200 -8.214 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.614 -8.124 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.788 -9.919 14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.210 -9.033 13.653 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.680 -6.908 14.161 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.798 -8.043 15.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.509 -6.904 16.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.860 -8.563 16.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.715 -7.464 15.369 1.00 0.00 H new ATOM 42 N GLN A 3 2.268 -10.432 11.154 1.00 0.00 N ATOM 43 CA GLN A 3 1.073 -10.711 10.373 1.00 0.00 C ATOM 44 C GLN A 3 1.190 -10.182 8.959 1.00 0.00 C ATOM 45 O GLN A 3 1.380 -8.986 8.731 1.00 0.00 O ATOM 46 CB GLN A 3 -0.176 -10.105 11.031 1.00 0.00 C ATOM 47 CG GLN A 3 -1.421 -10.282 10.182 1.00 0.00 C ATOM 48 CD GLN A 3 -2.653 -10.675 10.977 1.00 0.00 C ATOM 49 OE1 GLN A 3 -2.572 -11.070 12.136 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.810 -10.569 10.347 1.00 0.00 N ATOM 0 H GLN A 3 2.522 -9.445 11.189 1.00 0.00 H new ATOM 0 HA GLN A 3 0.974 -11.796 10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.333 -10.571 12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.010 -9.043 11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.624 -9.351 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.229 -11.044 9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.837 -10.237 9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.676 -10.820 10.825 1.00 0.00 H new ATOM 59 N ARG A 4 1.058 -11.087 8.008 1.00 0.00 N ATOM 60 CA ARG A 4 1.135 -10.718 6.617 1.00 0.00 C ATOM 61 C ARG A 4 -0.172 -10.121 6.139 1.00 0.00 C ATOM 62 O ARG A 4 -1.187 -10.814 6.024 1.00 0.00 O ATOM 63 CB ARG A 4 1.478 -11.915 5.758 1.00 0.00 C ATOM 64 CG ARG A 4 2.111 -11.526 4.439 1.00 0.00 C ATOM 65 CD ARG A 4 2.377 -12.741 3.570 1.00 0.00 C ATOM 66 NE ARG A 4 1.223 -13.050 2.720 1.00 0.00 N ATOM 67 CZ ARG A 4 0.115 -13.644 3.151 1.00 0.00 C ATOM 68 NH1 ARG A 4 0.045 -14.123 4.373 1.00 0.00 N ATOM 69 NH2 ARG A 4 -0.905 -13.809 2.338 1.00 0.00 N ATOM 0 H ARG A 4 0.897 -12.080 8.178 1.00 0.00 H new ATOM 0 HA ARG A 4 1.924 -9.971 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.160 -12.566 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.572 -12.491 5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.455 -10.835 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.047 -10.998 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.253 -12.560 2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.607 -13.599 4.201 1.00 0.00 H new ATOM 0 HE ARG A 4 1.274 -12.792 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.845 -14.040 5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.810 -14.577 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.847 -13.481 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.754 -14.265 2.671 1.00 0.00 H new ATOM 83 N ILE A 5 -0.121 -8.846 5.817 1.00 0.00 N ATOM 84 CA ILE A 5 -1.274 -8.145 5.296 1.00 0.00 C ATOM 85 C ILE A 5 -1.065 -7.996 3.812 1.00 0.00 C ATOM 86 O ILE A 5 -0.026 -7.497 3.382 1.00 0.00 O ATOM 87 CB ILE A 5 -1.467 -6.765 5.966 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.042 -5.622 5.038 1.00 0.00 C ATOM 89 CG2 ILE A 5 -0.678 -6.712 7.268 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.404 -4.251 5.566 1.00 0.00 C ATOM 0 H ILE A 5 0.716 -8.270 5.908 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.180 -8.711 5.510 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.528 -6.636 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.036 -5.671 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.509 -5.763 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.816 -5.738 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.033 -7.493 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.380 -6.867 7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.074 -3.490 4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.484 -4.184 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.915 -4.090 6.527 1.00 0.00 H new ATOM 102 N THR A 6 -2.001 -8.463 3.021 1.00 0.00 N ATOM 103 CA THR A 6 -1.823 -8.388 1.588 1.00 0.00 C ATOM 104 C THR A 6 -3.040 -7.784 0.896 1.00 0.00 C ATOM 105 O THR A 6 -4.152 -8.302 1.002 1.00 0.00 O ATOM 106 CB THR A 6 -1.437 -9.775 1.019 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.438 -10.303 0.159 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.150 -10.821 2.085 1.00 0.00 C ATOM 0 H THR A 6 -2.874 -8.889 3.333 1.00 0.00 H new ATOM 0 HA THR A 6 -0.996 -7.709 1.379 1.00 0.00 H new ATOM 0 HB THR A 6 -0.520 -9.579 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.156 -10.698 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.887 -11.765 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.321 -10.487 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.036 -10.962 2.704 1.00 0.00 H new ATOM 116 N VAL A 7 -2.798 -6.707 0.140 1.00 0.00 N ATOM 117 CA VAL A 7 -3.836 -6.043 -0.634 1.00 0.00 C ATOM 118 C VAL A 7 -3.715 -6.487 -2.091 1.00 0.00 C ATOM 119 O VAL A 7 -2.760 -6.119 -2.775 1.00 0.00 O ATOM 120 CB VAL A 7 -3.755 -4.480 -0.501 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.692 -3.756 -1.851 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.923 -3.984 0.311 1.00 0.00 C ATOM 0 H VAL A 7 -1.877 -6.277 0.052 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.813 -6.330 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.819 -4.249 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.638 -2.680 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.808 -4.084 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.585 -3.989 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.867 -2.899 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.854 -4.258 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.894 -4.435 1.303 1.00 0.00 H new ATOM 132 N THR A 8 -4.652 -7.301 -2.565 1.00 0.00 N ATOM 133 CA THR A 8 -4.608 -7.779 -3.938 1.00 0.00 C ATOM 134 C THR A 8 -4.927 -6.636 -4.896 1.00 0.00 C ATOM 135 O THR A 8 -6.089 -6.406 -5.235 1.00 0.00 O ATOM 136 CB THR A 8 -5.580 -8.940 -4.135 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.830 -8.671 -3.528 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.069 -10.249 -3.580 1.00 0.00 C ATOM 0 H THR A 8 -5.445 -7.641 -2.021 1.00 0.00 H new ATOM 0 HA THR A 8 -3.603 -8.143 -4.152 1.00 0.00 H new ATOM 0 HB THR A 8 -5.687 -9.038 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.145 -7.786 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.808 -11.031 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.136 -10.515 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.894 -10.147 -2.509 1.00 0.00 H new ATOM 146 N VAL A 9 -3.891 -5.911 -5.317 1.00 0.00 N ATOM 147 CA VAL A 9 -4.081 -4.781 -6.220 1.00 0.00 C ATOM 148 C VAL A 9 -4.091 -5.214 -7.682 1.00 0.00 C ATOM 149 O VAL A 9 -4.845 -6.116 -8.032 1.00 0.00 O ATOM 150 CB VAL A 9 -3.052 -3.653 -6.007 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.619 -2.336 -6.515 1.00 0.00 C ATOM 152 CG2 VAL A 9 -2.684 -3.531 -4.547 1.00 0.00 C ATOM 0 H VAL A 9 -2.922 -6.085 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.062 -4.376 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.149 -3.896 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.888 -1.542 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.844 -2.423 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.532 -2.098 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.957 -2.729 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.577 -3.306 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.252 -4.470 -4.201 1.00 0.00 H new ATOM 162 N ASP A 10 -3.332 -4.515 -8.551 1.00 0.00 N ATOM 163 CA ASP A 10 -3.344 -4.778 -9.992 1.00 0.00 C ATOM 164 C ASP A 10 -4.551 -4.046 -10.603 1.00 0.00 C ATOM 165 O ASP A 10 -4.689 -3.930 -11.820 1.00 0.00 O ATOM 166 CB ASP A 10 -3.382 -6.281 -10.292 1.00 0.00 C ATOM 167 CG ASP A 10 -3.718 -6.587 -11.735 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.814 -6.509 -12.587 1.00 0.00 O ATOM 169 OD2 ASP A 10 -4.896 -6.897 -12.007 1.00 0.00 O ATOM 0 H ASP A 10 -2.703 -3.762 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.424 -4.405 -10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.414 -6.719 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.118 -6.757 -9.644 1.00 0.00 H new ATOM 174 N SER A 11 -5.395 -3.516 -9.714 1.00 0.00 N ATOM 175 CA SER A 11 -6.570 -2.754 -10.091 1.00 0.00 C ATOM 176 C SER A 11 -6.610 -1.430 -9.319 1.00 0.00 C ATOM 177 O SER A 11 -6.580 -0.367 -9.933 1.00 0.00 O ATOM 178 CB SER A 11 -7.845 -3.564 -9.838 1.00 0.00 C ATOM 179 OG SER A 11 -8.225 -4.293 -11.003 1.00 0.00 O ATOM 0 H SER A 11 -5.274 -3.609 -8.706 1.00 0.00 H new ATOM 0 HA SER A 11 -6.514 -2.535 -11.157 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.684 -4.253 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.653 -2.895 -9.543 1.00 0.00 H new ATOM 0 HG SER A 11 -9.040 -4.804 -10.818 1.00 0.00 H new ATOM 185 N ASP A 12 -6.723 -1.503 -7.976 1.00 0.00 N ATOM 186 CA ASP A 12 -6.820 -0.306 -7.129 1.00 0.00 C ATOM 187 C ASP A 12 -5.855 0.830 -7.559 1.00 0.00 C ATOM 188 O ASP A 12 -6.236 1.688 -8.357 1.00 0.00 O ATOM 189 CB ASP A 12 -6.623 -0.705 -5.658 1.00 0.00 C ATOM 190 CG ASP A 12 -7.264 -2.039 -5.311 1.00 0.00 C ATOM 191 OD1 ASP A 12 -6.789 -3.072 -5.827 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.235 -2.050 -4.525 1.00 0.00 O ATOM 0 H ASP A 12 -6.749 -2.382 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.819 0.112 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.556 -0.754 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.043 0.071 -5.018 1.00 0.00 H new ATOM 197 N SER A 13 -4.622 0.857 -7.023 1.00 0.00 N ATOM 198 CA SER A 13 -3.636 1.910 -7.365 1.00 0.00 C ATOM 199 C SER A 13 -2.343 1.739 -6.538 1.00 0.00 C ATOM 200 O SER A 13 -1.741 2.708 -6.068 1.00 0.00 O ATOM 201 CB SER A 13 -4.242 3.301 -7.128 1.00 0.00 C ATOM 202 OG SER A 13 -3.291 4.322 -7.372 1.00 0.00 O ATOM 0 H SER A 13 -4.281 0.167 -6.354 1.00 0.00 H new ATOM 0 HA SER A 13 -3.381 1.813 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.105 3.441 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.602 3.374 -6.102 1.00 0.00 H new ATOM 0 HG SER A 13 -2.487 4.155 -6.837 1.00 0.00 H new ATOM 208 N TYR A 14 -1.952 0.477 -6.371 1.00 0.00 N ATOM 209 CA TYR A 14 -0.762 0.071 -5.608 1.00 0.00 C ATOM 210 C TYR A 14 0.543 0.133 -6.413 1.00 0.00 C ATOM 211 O TYR A 14 1.585 0.547 -5.899 1.00 0.00 O ATOM 212 CB TYR A 14 -0.988 -1.343 -5.118 1.00 0.00 C ATOM 213 CG TYR A 14 0.232 -2.220 -5.129 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.069 -2.250 -4.041 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.512 -3.045 -6.208 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.166 -3.076 -4.007 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.611 -3.875 -6.197 1.00 0.00 C ATOM 218 CZ TYR A 14 2.438 -3.891 -5.091 1.00 0.00 C ATOM 219 OH TYR A 14 3.528 -4.725 -5.070 1.00 0.00 O ATOM 0 H TYR A 14 -2.461 -0.312 -6.769 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.639 0.776 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.378 -1.301 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.757 -1.807 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.861 -1.612 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.141 -3.037 -7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.811 -3.089 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.824 -4.508 -7.046 1.00 0.00 H new ATOM 0 HH TYR A 14 3.571 -5.228 -5.910 1.00 0.00 H new ATOM 229 N GLN A 15 0.491 -0.359 -7.647 1.00 0.00 N ATOM 230 CA GLN A 15 1.682 -0.449 -8.504 1.00 0.00 C ATOM 231 C GLN A 15 2.507 0.843 -8.535 1.00 0.00 C ATOM 232 O GLN A 15 3.730 0.774 -8.571 1.00 0.00 O ATOM 233 CB GLN A 15 1.293 -0.832 -9.948 1.00 0.00 C ATOM 234 CG GLN A 15 -0.210 -0.962 -10.203 1.00 0.00 C ATOM 235 CD GLN A 15 -0.961 0.357 -10.078 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.407 1.377 -9.672 1.00 0.00 O ATOM 237 NE2 GLN A 15 -2.241 0.339 -10.419 1.00 0.00 N ATOM 0 H GLN A 15 -0.364 -0.704 -8.083 1.00 0.00 H new ATOM 0 HA GLN A 15 2.304 -1.227 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.697 -0.082 -10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.771 -1.779 -10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.368 -1.368 -11.202 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.630 -1.679 -9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.668 -0.525 -10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.800 1.190 -10.349 1.00 0.00 H new ATOM 246 N LEU A 16 1.869 2.008 -8.530 1.00 0.00 N ATOM 247 CA LEU A 16 2.610 3.278 -8.567 1.00 0.00 C ATOM 248 C LEU A 16 3.542 3.451 -7.353 1.00 0.00 C ATOM 249 O LEU A 16 4.744 3.667 -7.515 1.00 0.00 O ATOM 250 CB LEU A 16 1.636 4.456 -8.639 1.00 0.00 C ATOM 251 CG LEU A 16 1.746 5.312 -9.900 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.403 5.941 -10.235 1.00 0.00 C ATOM 253 CD2 LEU A 16 2.806 6.387 -9.722 1.00 0.00 C ATOM 0 H LEU A 16 0.854 2.107 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 16 3.234 3.256 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.619 4.071 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.797 5.094 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 16 2.042 4.669 -10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.500 6.547 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.335 5.156 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.080 6.571 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.871 6.987 -10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.537 7.027 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.771 5.918 -9.527 1.00 0.00 H new ATOM 265 N LEU A 17 2.971 3.379 -6.146 1.00 0.00 N ATOM 266 CA LEU A 17 3.767 3.556 -4.911 1.00 0.00 C ATOM 267 C LEU A 17 5.032 2.699 -4.936 1.00 0.00 C ATOM 268 O LEU A 17 6.125 3.155 -4.593 1.00 0.00 O ATOM 269 CB LEU A 17 2.945 3.216 -3.675 1.00 0.00 C ATOM 270 CG LEU A 17 2.615 4.394 -2.757 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.811 4.760 -1.900 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.165 5.588 -3.570 1.00 0.00 C ATOM 0 H LEU A 17 1.978 3.203 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 17 4.057 4.606 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.011 2.757 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.485 2.467 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 17 1.800 4.094 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.553 5.600 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.094 3.905 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.647 5.038 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.934 6.417 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.961 5.884 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.275 5.324 -4.142 1.00 0.00 H new ATOM 284 N LYS A 18 4.870 1.463 -5.365 1.00 0.00 N ATOM 285 CA LYS A 18 5.985 0.523 -5.468 1.00 0.00 C ATOM 286 C LYS A 18 6.791 0.784 -6.734 1.00 0.00 C ATOM 287 O LYS A 18 8.005 0.583 -6.772 1.00 0.00 O ATOM 288 CB LYS A 18 5.464 -0.910 -5.452 1.00 0.00 C ATOM 289 CG LYS A 18 4.530 -1.195 -6.605 1.00 0.00 C ATOM 290 CD LYS A 18 4.764 -2.580 -7.189 1.00 0.00 C ATOM 291 CE LYS A 18 4.477 -2.618 -8.681 1.00 0.00 C ATOM 292 NZ LYS A 18 4.848 -3.933 -9.284 1.00 0.00 N ATOM 0 H LYS A 18 3.971 1.077 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 18 6.643 0.666 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.306 -1.601 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.944 -1.094 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.497 -1.113 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.671 -0.444 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.796 -2.881 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.128 -3.303 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.418 -2.425 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.030 -1.821 -9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.637 -3.920 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.864 -4.105 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.301 -4.691 -8.827 1.00 0.00 H new ATOM 306 N ALA A 19 6.092 1.260 -7.754 1.00 0.00 N ATOM 307 CA ALA A 19 6.701 1.595 -9.037 1.00 0.00 C ATOM 308 C ALA A 19 7.769 2.654 -8.840 1.00 0.00 C ATOM 309 O ALA A 19 8.751 2.700 -9.581 1.00 0.00 O ATOM 310 CB ALA A 19 5.651 2.076 -10.030 1.00 0.00 C ATOM 0 H ALA A 19 5.086 1.426 -7.717 1.00 0.00 H new ATOM 0 HA ALA A 19 7.162 0.696 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.131 2.319 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.913 1.290 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.157 2.964 -9.635 1.00 0.00 H new ATOM 316 N TYR A 20 7.590 3.492 -7.816 1.00 0.00 N ATOM 317 CA TYR A 20 8.564 4.514 -7.522 1.00 0.00 C ATOM 318 C TYR A 20 9.632 3.946 -6.584 1.00 0.00 C ATOM 319 O TYR A 20 10.814 4.085 -6.884 1.00 0.00 O ATOM 320 CB TYR A 20 7.890 5.819 -7.035 1.00 0.00 C ATOM 321 CG TYR A 20 7.530 5.947 -5.569 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.462 5.790 -4.553 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.234 6.293 -5.217 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.101 5.961 -3.228 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.868 6.474 -3.906 1.00 0.00 C ATOM 326 CZ TYR A 20 6.802 6.304 -2.912 1.00 0.00 C ATOM 327 OH TYR A 20 6.442 6.485 -1.598 1.00 0.00 O ATOM 0 H TYR A 20 6.785 3.474 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 20 9.084 4.811 -8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.552 6.647 -7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.976 5.955 -7.613 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.481 5.531 -4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.494 6.423 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.832 5.827 -2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.853 6.748 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 20 7.222 6.340 -1.022 1.00 0.00 H new ATOM 337 N ASP A 21 9.215 3.234 -5.508 1.00 0.00 N ATOM 338 CA ASP A 21 10.174 2.570 -4.585 1.00 0.00 C ATOM 339 C ASP A 21 9.617 2.359 -3.175 1.00 0.00 C ATOM 340 O ASP A 21 10.392 2.190 -2.230 1.00 0.00 O ATOM 341 CB ASP A 21 11.499 3.349 -4.463 1.00 0.00 C ATOM 342 CG ASP A 21 12.707 2.497 -4.810 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.604 1.650 -5.723 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.759 2.675 -4.163 1.00 0.00 O ATOM 0 H ASP A 21 8.235 3.105 -5.258 1.00 0.00 H new ATOM 0 HA ASP A 21 10.353 1.596 -5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.469 4.217 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.604 3.725 -3.445 1.00 0.00 H new ATOM 349 N VAL A 22 8.297 2.390 -3.010 1.00 0.00 N ATOM 350 CA VAL A 22 7.708 2.236 -1.691 1.00 0.00 C ATOM 351 C VAL A 22 6.275 1.738 -1.771 1.00 0.00 C ATOM 352 O VAL A 22 5.340 2.527 -1.726 1.00 0.00 O ATOM 353 CB VAL A 22 7.728 3.601 -0.977 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.955 3.562 0.333 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.153 4.072 -0.744 1.00 0.00 C ATOM 0 H VAL A 22 7.625 2.519 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 22 8.291 1.499 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 22 7.232 4.317 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.992 4.543 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.917 3.294 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.401 2.821 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.139 5.038 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.680 3.346 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.665 4.171 -1.701 1.00 0.00 H new ATOM 365 N ASN A 23 6.098 0.424 -1.877 1.00 0.00 N ATOM 366 CA ASN A 23 4.759 -0.145 -1.935 1.00 0.00 C ATOM 367 C ASN A 23 3.990 0.267 -0.675 1.00 0.00 C ATOM 368 O ASN A 23 3.415 1.356 -0.618 1.00 0.00 O ATOM 369 CB ASN A 23 4.802 -1.682 -2.097 1.00 0.00 C ATOM 370 CG ASN A 23 5.936 -2.343 -1.333 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.057 -1.841 -1.297 1.00 0.00 O ATOM 372 ND2 ASN A 23 5.649 -3.483 -0.720 1.00 0.00 N ATOM 0 H ASN A 23 6.855 -0.258 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 23 4.242 0.243 -2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.854 -2.101 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.898 -1.925 -3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.371 -3.976 -0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.706 -3.867 -0.774 1.00 0.00 H new ATOM 379 N ILE A 24 3.956 -0.594 0.335 1.00 0.00 N ATOM 380 CA ILE A 24 3.224 -0.241 1.543 1.00 0.00 C ATOM 381 C ILE A 24 3.897 -0.617 2.855 1.00 0.00 C ATOM 382 O ILE A 24 3.349 -0.300 3.907 1.00 0.00 O ATOM 383 CB ILE A 24 1.781 -0.772 1.550 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.578 -1.798 0.452 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.803 0.379 1.390 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.540 -2.946 0.570 1.00 0.00 C ATOM 0 H ILE A 24 4.408 -1.508 0.345 1.00 0.00 H new ATOM 0 HA ILE A 24 3.215 0.848 1.495 1.00 0.00 H new ATOM 0 HB ILE A 24 1.597 -1.261 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.556 -2.175 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.702 -1.319 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.217 -0.006 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.930 1.082 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.993 0.889 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.359 -3.657 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.562 -2.573 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.398 -3.442 1.530 1.00 0.00 H new ATOM 398 N SER A 25 5.048 -1.297 2.823 1.00 0.00 N ATOM 399 CA SER A 25 5.707 -1.686 4.073 1.00 0.00 C ATOM 400 C SER A 25 5.576 -0.549 5.097 1.00 0.00 C ATOM 401 O SER A 25 4.895 -0.696 6.122 1.00 0.00 O ATOM 402 CB SER A 25 7.186 -2.003 3.820 1.00 0.00 C ATOM 403 OG SER A 25 7.873 -0.886 3.272 1.00 0.00 O ATOM 0 H SER A 25 5.531 -1.583 1.971 1.00 0.00 H new ATOM 0 HA SER A 25 5.226 -2.581 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.660 -2.300 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.266 -2.850 3.139 1.00 0.00 H new ATOM 0 HG SER A 25 8.813 -1.120 3.124 1.00 0.00 H new ATOM 409 N GLY A 26 6.186 0.597 4.788 1.00 0.00 N ATOM 410 CA GLY A 26 6.096 1.755 5.666 1.00 0.00 C ATOM 411 C GLY A 26 4.846 2.587 5.413 1.00 0.00 C ATOM 412 O GLY A 26 4.317 3.208 6.334 1.00 0.00 O ATOM 0 H GLY A 26 6.741 0.743 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.101 1.421 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.978 2.380 5.528 1.00 0.00 H new ATOM 416 N LEU A 27 4.363 2.589 4.165 1.00 0.00 N ATOM 417 CA LEU A 27 3.161 3.340 3.802 1.00 0.00 C ATOM 418 C LEU A 27 1.968 2.885 4.630 1.00 0.00 C ATOM 419 O LEU A 27 1.396 3.662 5.386 1.00 0.00 O ATOM 420 CB LEU A 27 2.842 3.132 2.322 1.00 0.00 C ATOM 421 CG LEU A 27 1.975 4.206 1.676 1.00 0.00 C ATOM 422 CD1 LEU A 27 2.834 5.358 1.184 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.173 3.602 0.532 1.00 0.00 C ATOM 0 H LEU A 27 4.788 2.078 3.391 1.00 0.00 H new ATOM 0 HA LEU A 27 3.351 4.395 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.781 3.070 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.342 2.170 2.209 1.00 0.00 H new ATOM 0 HG LEU A 27 1.281 4.598 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.199 6.116 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.372 5.796 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.549 4.990 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.555 4.374 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.854 3.193 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.534 2.806 0.916 1.00 0.00 H new ATOM 435 N VAL A 28 1.607 1.612 4.479 1.00 0.00 N ATOM 436 CA VAL A 28 0.484 1.039 5.212 1.00 0.00 C ATOM 437 C VAL A 28 0.619 1.302 6.711 1.00 0.00 C ATOM 438 O VAL A 28 -0.169 2.038 7.280 1.00 0.00 O ATOM 439 CB VAL A 28 0.348 -0.478 4.922 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.227 -1.245 6.107 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.517 -0.689 3.693 1.00 0.00 C ATOM 0 H VAL A 28 2.078 0.958 3.854 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.427 1.528 4.867 1.00 0.00 H new ATOM 0 HB VAL A 28 1.349 -0.870 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.302 -2.303 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.427 -1.124 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.218 -0.857 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.610 -1.756 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.506 -0.265 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.057 -0.198 2.836 1.00 0.00 H new ATOM 451 N SER A 29 1.611 0.699 7.346 1.00 0.00 N ATOM 452 CA SER A 29 1.812 0.869 8.785 1.00 0.00 C ATOM 453 C SER A 29 1.775 2.339 9.230 1.00 0.00 C ATOM 454 O SER A 29 1.238 2.638 10.300 1.00 0.00 O ATOM 455 CB SER A 29 3.134 0.239 9.216 1.00 0.00 C ATOM 456 OG SER A 29 4.238 0.911 8.639 1.00 0.00 O ATOM 0 H SER A 29 2.291 0.088 6.893 1.00 0.00 H new ATOM 0 HA SER A 29 0.979 0.363 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.216 0.268 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.151 -0.811 8.923 1.00 0.00 H new ATOM 0 HG SER A 29 4.520 0.440 7.828 1.00 0.00 H new ATOM 462 N THR A 30 2.302 3.263 8.424 1.00 0.00 N ATOM 463 CA THR A 30 2.258 4.679 8.792 1.00 0.00 C ATOM 464 C THR A 30 0.870 5.238 8.507 1.00 0.00 C ATOM 465 O THR A 30 0.286 5.943 9.332 1.00 0.00 O ATOM 466 CB THR A 30 3.330 5.493 8.041 1.00 0.00 C ATOM 467 OG1 THR A 30 3.881 6.488 8.888 1.00 0.00 O ATOM 468 CG2 THR A 30 2.820 6.198 6.795 1.00 0.00 C ATOM 0 H THR A 30 2.754 3.063 7.532 1.00 0.00 H new ATOM 0 HA THR A 30 2.472 4.762 9.858 1.00 0.00 H new ATOM 0 HB THR A 30 4.073 4.756 7.735 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.561 6.995 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.637 6.747 6.327 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.430 5.460 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.026 6.893 7.069 1.00 0.00 H new ATOM 476 N THR A 31 0.353 4.915 7.324 1.00 0.00 N ATOM 477 CA THR A 31 -0.957 5.376 6.900 1.00 0.00 C ATOM 478 C THR A 31 -2.067 4.819 7.792 1.00 0.00 C ATOM 479 O THR A 31 -2.912 5.572 8.281 1.00 0.00 O ATOM 480 CB THR A 31 -1.209 4.986 5.444 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.379 5.737 4.577 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.635 5.202 5.003 1.00 0.00 C ATOM 0 H THR A 31 0.831 4.329 6.639 1.00 0.00 H new ATOM 0 HA THR A 31 -0.970 6.462 6.990 1.00 0.00 H new ATOM 0 HB THR A 31 -0.986 3.920 5.389 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.513 5.332 4.546 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.742 4.904 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.302 4.602 5.622 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.893 6.256 5.108 1.00 0.00 H new ATOM 490 N MET A 32 -2.051 3.503 8.006 1.00 0.00 N ATOM 491 CA MET A 32 -3.045 2.841 8.841 1.00 0.00 C ATOM 492 C MET A 32 -3.169 3.538 10.195 1.00 0.00 C ATOM 493 O MET A 32 -4.273 3.752 10.679 1.00 0.00 O ATOM 494 CB MET A 32 -2.695 1.357 9.020 1.00 0.00 C ATOM 495 CG MET A 32 -2.448 0.620 7.710 1.00 0.00 C ATOM 496 SD MET A 32 -3.949 -0.038 6.975 1.00 0.00 S ATOM 497 CE MET A 32 -3.477 -1.728 6.645 1.00 0.00 C ATOM 0 H MET A 32 -1.354 2.874 7.608 1.00 0.00 H new ATOM 0 HA MET A 32 -4.011 2.906 8.340 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.805 1.276 9.645 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.506 0.864 9.556 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.972 1.299 7.003 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.749 -0.197 7.887 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.356 -2.370 6.705 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.045 -1.797 5.646 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.741 -2.051 7.381 1.00 0.00 H new ATOM 507 N GLN A 33 -2.037 3.905 10.802 1.00 0.00 N ATOM 508 CA GLN A 33 -2.053 4.599 12.095 1.00 0.00 C ATOM 509 C GLN A 33 -2.789 5.931 11.967 1.00 0.00 C ATOM 510 O GLN A 33 -3.680 6.238 12.763 1.00 0.00 O ATOM 511 CB GLN A 33 -0.614 4.799 12.619 1.00 0.00 C ATOM 512 CG GLN A 33 -0.196 6.257 12.823 1.00 0.00 C ATOM 513 CD GLN A 33 0.644 6.460 14.069 1.00 0.00 C ATOM 514 OE1 GLN A 33 0.167 6.999 15.067 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.896 6.034 14.020 1.00 0.00 N ATOM 0 H GLN A 33 -1.105 3.736 10.424 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.587 3.986 12.821 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.512 4.272 13.568 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.079 4.333 11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.367 6.594 11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.088 6.880 12.886 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.252 5.592 13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.505 6.147 14.830 1.00 0.00 H new ATOM 524 N ASN A 34 -2.426 6.707 10.947 1.00 0.00 N ATOM 525 CA ASN A 34 -3.072 7.991 10.702 1.00 0.00 C ATOM 526 C ASN A 34 -4.571 7.771 10.472 1.00 0.00 C ATOM 527 O ASN A 34 -5.405 8.437 11.095 1.00 0.00 O ATOM 528 CB ASN A 34 -2.384 8.718 9.527 1.00 0.00 C ATOM 529 CG ASN A 34 -3.300 8.996 8.356 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.125 8.238 7.288 1.00 0.00 O flip ATOM 531 ND2 ASN A 34 -4.141 9.887 8.410 1.00 0.00 N flip ATOM 0 H ASN A 34 -1.691 6.469 10.281 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.967 8.639 11.572 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.974 9.662 9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.543 8.116 9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.238 10.446 9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.743 10.069 7.607 1.00 0.00 H new ATOM 538 N GLU A 35 -4.910 6.799 9.620 1.00 0.00 N ATOM 539 CA GLU A 35 -6.311 6.472 9.370 1.00 0.00 C ATOM 540 C GLU A 35 -6.950 5.931 10.652 1.00 0.00 C ATOM 541 O GLU A 35 -8.089 6.271 10.975 1.00 0.00 O ATOM 542 CB GLU A 35 -6.445 5.464 8.224 1.00 0.00 C ATOM 543 CG GLU A 35 -7.120 6.037 6.982 1.00 0.00 C ATOM 544 CD GLU A 35 -6.706 7.465 6.685 1.00 0.00 C ATOM 545 OE1 GLU A 35 -5.613 7.662 6.109 1.00 0.00 O ATOM 546 OE2 GLU A 35 -7.473 8.386 7.035 1.00 0.00 O ATOM 0 H GLU A 35 -4.241 6.233 9.099 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.835 7.379 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.454 5.100 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.016 4.604 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.880 5.410 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.201 5.998 7.113 1.00 0.00 H new ATOM 553 N ALA A 36 -6.191 5.129 11.410 1.00 0.00 N ATOM 554 CA ALA A 36 -6.663 4.588 12.683 1.00 0.00 C ATOM 555 C ALA A 36 -7.016 5.735 13.623 1.00 0.00 C ATOM 556 O ALA A 36 -8.094 5.758 14.215 1.00 0.00 O ATOM 557 CB ALA A 36 -5.597 3.697 13.303 1.00 0.00 C ATOM 0 H ALA A 36 -5.245 4.842 11.159 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.554 3.984 12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.961 3.300 14.251 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.373 2.872 12.626 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.692 4.279 13.477 1.00 0.00 H new ATOM 563 N ARG A 37 -6.115 6.713 13.717 1.00 0.00 N ATOM 564 CA ARG A 37 -6.366 7.887 14.536 1.00 0.00 C ATOM 565 C ARG A 37 -7.596 8.583 14.019 1.00 0.00 C ATOM 566 O ARG A 37 -8.525 8.892 14.766 1.00 0.00 O ATOM 567 CB ARG A 37 -5.214 8.866 14.446 1.00 0.00 C ATOM 568 CG ARG A 37 -4.368 8.909 15.700 1.00 0.00 C ATOM 569 CD ARG A 37 -2.886 8.828 15.376 1.00 0.00 C ATOM 570 NE ARG A 37 -2.095 9.737 16.216 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.841 9.541 17.508 1.00 0.00 C ATOM 572 NH1 ARG A 37 -2.294 8.469 18.130 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.128 10.426 18.177 1.00 0.00 N ATOM 0 H ARG A 37 -5.214 6.712 13.239 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.490 7.565 15.570 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.583 8.597 13.599 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.608 9.863 14.247 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.572 9.830 16.246 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.644 8.082 16.355 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.538 7.805 15.519 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.729 9.074 14.326 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.714 10.576 15.779 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.846 7.779 17.621 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.092 8.331 19.120 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.773 11.257 17.704 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.931 10.279 19.167 1.00 0.00 H new ATOM 587 N ARG A 38 -7.566 8.836 12.716 1.00 0.00 N ATOM 588 CA ARG A 38 -8.659 9.509 12.044 1.00 0.00 C ATOM 589 C ARG A 38 -9.995 8.807 12.331 1.00 0.00 C ATOM 590 O ARG A 38 -10.971 9.456 12.712 1.00 0.00 O ATOM 591 CB ARG A 38 -8.411 9.561 10.532 1.00 0.00 C ATOM 592 CG ARG A 38 -7.428 10.637 10.104 1.00 0.00 C ATOM 593 CD ARG A 38 -8.048 12.024 10.172 1.00 0.00 C ATOM 594 NE ARG A 38 -7.044 13.046 10.483 1.00 0.00 N ATOM 595 CZ ARG A 38 -7.138 14.322 10.140 1.00 0.00 C ATOM 596 NH1 ARG A 38 -8.199 14.772 9.506 1.00 0.00 N ATOM 597 NH2 ARG A 38 -6.163 15.157 10.445 1.00 0.00 N ATOM 0 H ARG A 38 -6.790 8.582 12.105 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.712 10.527 12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.039 8.591 10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.361 9.728 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.547 10.600 10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.091 10.438 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.524 12.258 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.830 12.037 10.931 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.215 12.754 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.962 14.136 9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.259 15.757 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.340 14.819 10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.233 16.140 10.182 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.623 -10.319 -9.994 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.117 -9.134 -9.299 1.00 0.00 C ATOM 1186 C LYS B 102 -3.669 -9.344 -8.840 1.00 0.00 C ATOM 1187 O LYS B 102 -3.083 -10.400 -9.086 1.00 0.00 O ATOM 1188 CB LYS B 102 -6.022 -8.806 -8.106 1.00 0.00 C ATOM 1189 CG LYS B 102 -7.408 -8.317 -8.506 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.342 -7.075 -9.384 1.00 0.00 C ATOM 1191 CE LYS B 102 -7.811 -7.361 -10.799 1.00 0.00 C ATOM 1192 NZ LYS B 102 -7.290 -6.353 -11.762 1.00 0.00 N ATOM 0 HA LYS B 102 -5.127 -8.292 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.125 -9.695 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.540 -8.044 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.933 -9.110 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.988 -8.097 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.958 -6.289 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.318 -6.701 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.481 -8.356 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.901 -7.364 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.616 -6.588 -12.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -7.639 -5.409 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -6.250 -6.356 -11.739 1.00 0.00 H new ATOM 1206 N GLN B 103 -3.090 -8.340 -8.182 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.712 -8.432 -7.714 1.00 0.00 C ATOM 1208 C GLN B 103 -1.628 -8.433 -6.198 1.00 0.00 C ATOM 1209 O GLN B 103 -1.980 -7.455 -5.546 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.875 -7.278 -8.292 1.00 0.00 C ATOM 1211 CG GLN B 103 0.522 -7.186 -7.701 1.00 0.00 C ATOM 1212 CD GLN B 103 1.486 -8.213 -8.268 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.142 -8.992 -9.155 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.707 -8.215 -7.756 1.00 0.00 N ATOM 0 H GLN B 103 -3.553 -7.458 -7.963 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.308 -9.381 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.796 -7.402 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.398 -6.338 -8.117 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.920 -6.187 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.460 -7.314 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.953 -7.552 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.402 -8.880 -8.097 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.162 -9.543 -5.635 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.057 -9.650 -4.197 1.00 0.00 C ATOM 1225 C ARG B 104 0.162 -8.920 -3.666 1.00 0.00 C ATOM 1226 O ARG B 104 1.302 -9.357 -3.825 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.005 -11.103 -3.767 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.639 -11.333 -2.413 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.552 -12.790 -2.013 1.00 0.00 C ATOM 1230 NE ARG B 104 -2.718 -13.559 -2.456 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.974 -13.270 -2.144 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.257 -12.258 -1.341 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.948 -14.018 -2.622 1.00 0.00 N ATOM 0 H ARG B 104 -0.856 -10.368 -6.151 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.947 -9.181 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.513 -11.716 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.034 -11.432 -3.738 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.141 -10.717 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.683 -11.021 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -0.648 -13.228 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.462 -12.862 -0.929 1.00 0.00 H new ATOM 0 HE ARG B 104 -2.552 -14.374 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -3.505 -11.689 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -5.228 -12.047 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.732 -14.811 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.917 -13.804 -2.388 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.121 -7.823 -2.995 1.00 0.00 N ATOM 1248 CA ILE B 105 0.890 -6.998 -2.364 1.00 0.00 C ATOM 1249 C ILE B 105 0.761 -7.200 -0.871 1.00 0.00 C ATOM 1250 O ILE B 105 -0.342 -7.101 -0.337 1.00 0.00 O ATOM 1251 CB ILE B 105 0.685 -5.511 -2.715 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.171 -4.817 -1.647 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.029 -5.400 -4.083 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.306 -3.328 -1.827 1.00 0.00 C ATOM 0 H ILE B 105 -1.071 -7.474 -2.870 1.00 0.00 H new ATOM 0 HA ILE B 105 1.882 -7.282 -2.715 1.00 0.00 H new ATOM 0 HB ILE B 105 1.654 -5.013 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.166 -5.263 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.263 -5.014 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.117 -4.349 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.669 -5.866 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -0.936 -5.906 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.926 -2.920 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.681 -2.866 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -0.770 -3.119 -2.791 1.00 0.00 H new ATOM 1266 N THR B 106 1.835 -7.536 -0.190 1.00 0.00 N ATOM 1267 CA THR B 106 1.710 -7.790 1.233 1.00 0.00 C ATOM 1268 C THR B 106 2.749 -7.073 2.092 1.00 0.00 C ATOM 1269 O THR B 106 3.955 -7.223 1.894 1.00 0.00 O ATOM 1270 CB THR B 106 1.715 -9.308 1.496 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.648 -9.659 2.501 1.00 0.00 O ATOM 1272 CG2 THR B 106 2.030 -10.157 0.274 1.00 0.00 C ATOM 0 H THR B 106 2.773 -7.638 -0.578 1.00 0.00 H new ATOM 0 HA THR B 106 0.754 -7.367 1.540 1.00 0.00 H new ATOM 0 HB THR B 106 0.693 -9.520 1.809 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.210 -10.396 2.183 1.00 0.00 H new ATOM 0 HG21 THR B 106 2.012 -11.212 0.549 1.00 0.00 H new ATOM 0 HG22 THR B 106 1.285 -9.971 -0.500 1.00 0.00 H new ATOM 0 HG23 THR B 106 3.019 -9.897 -0.104 1.00 0.00 H new ATOM 1280 N VAL B 107 2.251 -6.390 3.130 1.00 0.00 N ATOM 1281 CA VAL B 107 3.100 -5.754 4.137 1.00 0.00 C ATOM 1282 C VAL B 107 3.076 -6.684 5.344 1.00 0.00 C ATOM 1283 O VAL B 107 2.100 -6.701 6.093 1.00 0.00 O ATOM 1284 CB VAL B 107 2.652 -4.293 4.540 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.438 -3.825 3.751 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.383 -4.140 6.050 1.00 0.00 C ATOM 0 H VAL B 107 1.252 -6.265 3.293 1.00 0.00 H new ATOM 0 HA VAL B 107 4.101 -5.617 3.729 1.00 0.00 H new ATOM 0 HB VAL B 107 3.500 -3.656 4.286 1.00 0.00 H new ATOM 0 HG11 VAL B 107 1.168 -2.816 4.063 1.00 0.00 H new ATOM 0 HG12 VAL B 107 1.674 -3.825 2.687 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.601 -4.498 3.937 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.079 -3.115 6.263 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.589 -4.824 6.349 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.291 -4.373 6.607 1.00 0.00 H new ATOM 1296 N THR B 108 4.094 -7.511 5.514 1.00 0.00 N ATOM 1297 CA THR B 108 4.085 -8.450 6.626 1.00 0.00 C ATOM 1298 C THR B 108 4.275 -7.741 7.970 1.00 0.00 C ATOM 1299 O THR B 108 5.283 -7.937 8.645 1.00 0.00 O ATOM 1300 CB THR B 108 5.146 -9.530 6.447 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.287 -9.022 5.798 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.693 -10.732 5.682 1.00 0.00 C ATOM 0 H THR B 108 4.918 -7.554 4.914 1.00 0.00 H new ATOM 0 HA THR B 108 3.104 -8.925 6.631 1.00 0.00 H new ATOM 0 HB THR B 108 5.370 -9.846 7.466 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.951 -9.735 5.698 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.514 -11.445 5.605 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.855 -11.198 6.200 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.380 -10.430 4.682 1.00 0.00 H new ATOM 1310 N VAL B 109 3.285 -6.944 8.371 1.00 0.00 N ATOM 1311 CA VAL B 109 3.346 -6.253 9.658 1.00 0.00 C ATOM 1312 C VAL B 109 2.512 -7.018 10.692 1.00 0.00 C ATOM 1313 O VAL B 109 2.869 -8.134 11.050 1.00 0.00 O ATOM 1314 CB VAL B 109 2.897 -4.762 9.584 1.00 0.00 C ATOM 1315 CG1 VAL B 109 3.989 -3.903 8.967 1.00 0.00 C ATOM 1316 CG2 VAL B 109 1.573 -4.586 8.833 1.00 0.00 C ATOM 0 H VAL B 109 2.440 -6.762 7.830 1.00 0.00 H new ATOM 0 HA VAL B 109 4.393 -6.235 9.961 1.00 0.00 H new ATOM 0 HB VAL B 109 2.725 -4.428 10.607 1.00 0.00 H new ATOM 0 HG11 VAL B 109 3.656 -2.866 8.924 1.00 0.00 H new ATOM 0 HG12 VAL B 109 4.891 -3.970 9.575 1.00 0.00 H new ATOM 0 HG13 VAL B 109 4.204 -4.257 7.959 1.00 0.00 H new ATOM 0 HG21 VAL B 109 1.305 -3.530 8.810 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.681 -4.955 7.813 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.789 -5.148 9.341 1.00 0.00 H new ATOM 1326 N ASP B 110 1.432 -6.397 11.175 1.00 0.00 N ATOM 1327 CA ASP B 110 0.534 -6.955 12.173 1.00 0.00 C ATOM 1328 C ASP B 110 0.055 -5.800 13.020 1.00 0.00 C ATOM 1329 O ASP B 110 -0.997 -5.221 12.757 1.00 0.00 O ATOM 1330 CB ASP B 110 1.206 -8.028 13.048 1.00 0.00 C ATOM 1331 CG ASP B 110 0.346 -8.460 14.214 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -0.887 -8.544 14.042 1.00 0.00 O ATOM 1333 OD2 ASP B 110 0.908 -8.716 15.297 1.00 0.00 O ATOM 0 H ASP B 110 1.156 -5.464 10.869 1.00 0.00 H new ATOM 0 HA ASP B 110 -0.293 -7.462 11.676 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.439 -8.897 12.433 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.153 -7.641 13.425 1.00 0.00 H new ATOM 1338 N SER B 111 0.843 -5.446 14.021 1.00 0.00 N ATOM 1339 CA SER B 111 0.505 -4.342 14.884 1.00 0.00 C ATOM 1340 C SER B 111 1.028 -3.007 14.345 1.00 0.00 C ATOM 1341 O SER B 111 0.843 -1.982 15.006 1.00 0.00 O ATOM 1342 CB SER B 111 1.060 -4.592 16.284 1.00 0.00 C ATOM 1343 OG SER B 111 0.217 -4.026 17.275 1.00 0.00 O ATOM 0 H SER B 111 1.721 -5.912 14.251 1.00 0.00 H new ATOM 0 HA SER B 111 -0.582 -4.275 14.923 1.00 0.00 H new ATOM 0 HB2 SER B 111 1.158 -5.664 16.454 1.00 0.00 H new ATOM 0 HB3 SER B 111 2.059 -4.164 16.364 1.00 0.00 H new ATOM 0 HG SER B 111 0.593 -4.201 18.163 1.00 0.00 H new ATOM 1349 N ASP B 112 1.669 -2.972 13.149 1.00 0.00 N ATOM 1350 CA ASP B 112 2.153 -1.699 12.635 1.00 0.00 C ATOM 1351 C ASP B 112 0.967 -0.907 12.092 1.00 0.00 C ATOM 1352 O ASP B 112 0.883 -0.625 10.905 1.00 0.00 O ATOM 1353 CB ASP B 112 3.220 -1.939 11.559 1.00 0.00 C ATOM 1354 CG ASP B 112 4.589 -1.433 11.968 1.00 0.00 C ATOM 1355 OD1 ASP B 112 5.086 -1.864 13.030 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.165 -0.610 11.221 1.00 0.00 O ATOM 0 H ASP B 112 1.850 -3.782 12.556 1.00 0.00 H new ATOM 0 HA ASP B 112 2.621 -1.120 13.431 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.281 -3.006 11.345 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.916 -1.446 10.636 1.00 0.00 H new ATOM 1361 N SER B 113 0.031 -0.585 12.987 1.00 0.00 N ATOM 1362 CA SER B 113 -1.200 0.156 12.640 1.00 0.00 C ATOM 1363 C SER B 113 -2.077 -0.564 11.588 1.00 0.00 C ATOM 1364 O SER B 113 -3.290 -0.337 11.544 1.00 0.00 O ATOM 1365 CB SER B 113 -0.872 1.566 12.141 1.00 0.00 C ATOM 1366 OG SER B 113 0.453 1.949 12.463 1.00 0.00 O ATOM 0 H SER B 113 0.098 -0.827 13.976 1.00 0.00 H new ATOM 0 HA SER B 113 -1.776 0.211 13.564 1.00 0.00 H new ATOM 0 HB2 SER B 113 -1.009 1.609 11.061 1.00 0.00 H new ATOM 0 HB3 SER B 113 -1.572 2.277 12.580 1.00 0.00 H new ATOM 0 HG SER B 113 0.988 1.998 11.643 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.465 -1.418 10.743 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.170 -2.158 9.698 1.00 0.00 C ATOM 1374 C TYR B 114 -3.472 -2.756 10.221 1.00 0.00 C ATOM 1375 O TYR B 114 -4.556 -2.460 9.713 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.291 -3.296 9.166 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.028 -4.620 9.040 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.010 -4.801 8.074 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -1.751 -5.680 9.894 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.687 -5.995 7.960 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.426 -6.878 9.786 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.391 -7.032 8.818 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.054 -8.228 8.708 1.00 0.00 O ATOM 0 H TYR B 114 -0.463 -1.609 10.773 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.397 -1.452 8.899 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -0.896 -3.014 8.190 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.437 -3.426 9.830 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.247 -3.991 7.400 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -0.994 -5.564 10.656 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.446 -6.118 7.202 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.198 -7.692 10.459 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.663 -8.753 7.979 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.338 -3.653 11.207 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.480 -4.353 11.769 1.00 0.00 C ATOM 1395 C GLN B 115 -5.624 -3.404 12.149 1.00 0.00 C ATOM 1396 O GLN B 115 -6.784 -3.775 12.032 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.045 -5.161 12.993 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.251 -4.349 14.005 1.00 0.00 C ATOM 1399 CD GLN B 115 -4.123 -3.700 15.064 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -5.279 -4.072 15.252 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -3.575 -2.717 15.761 1.00 0.00 N ATOM 0 H GLN B 115 -2.443 -3.905 11.627 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.860 -5.022 10.997 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.929 -5.571 13.481 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.442 -6.007 12.664 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.522 -4.998 14.491 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.690 -3.575 13.481 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -2.612 -2.436 15.576 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -4.116 -2.241 16.483 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.298 -2.185 12.591 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.321 -1.201 12.978 1.00 0.00 C ATOM 1412 C LEU B 116 -7.250 -0.855 11.805 1.00 0.00 C ATOM 1413 O LEU B 116 -8.472 -0.883 11.943 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.661 0.078 13.509 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.035 0.455 14.944 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.919 1.258 15.594 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.340 1.234 14.968 1.00 0.00 C ATOM 0 H LEU B 116 -4.338 -1.854 12.690 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.924 -1.653 13.766 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.579 -0.039 13.451 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.927 0.905 12.851 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.173 -0.463 15.516 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.203 1.517 16.614 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.006 0.663 15.612 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.747 2.170 15.023 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.590 1.493 15.997 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.231 2.145 14.380 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.137 0.622 14.544 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.653 -0.523 10.662 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.430 -0.161 9.466 1.00 0.00 C ATOM 1431 C LEU B 117 -8.467 -1.222 9.131 1.00 0.00 C ATOM 1432 O LEU B 117 -9.654 -0.938 8.969 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.522 0.024 8.264 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.428 1.455 7.749 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -7.691 1.822 6.991 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -6.192 2.416 8.901 1.00 0.00 C ATOM 0 H LEU B 117 -5.642 -0.495 10.533 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.937 0.777 9.694 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.521 -0.320 8.526 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.877 -0.616 7.456 1.00 0.00 H new ATOM 0 HG LEU B 117 -5.583 1.529 7.065 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.613 2.847 6.628 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -7.817 1.146 6.145 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.551 1.737 7.655 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.127 3.434 8.518 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.019 2.346 9.608 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.261 2.158 9.405 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.001 -2.449 9.045 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.864 -3.577 8.742 1.00 0.00 C ATOM 1450 C LYS B 118 -9.726 -3.916 9.946 1.00 0.00 C ATOM 1451 O LYS B 118 -10.847 -4.405 9.810 1.00 0.00 O ATOM 1452 CB LYS B 118 -8.018 -4.772 8.332 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.970 -5.108 9.365 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.645 -6.593 9.358 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.140 -7.066 10.708 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.737 -8.379 11.083 1.00 0.00 N ATOM 0 H LYS B 118 -7.021 -2.695 9.182 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.523 -3.314 7.915 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.664 -5.636 8.177 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.533 -4.562 7.379 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -6.064 -4.534 9.168 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.324 -4.815 10.354 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.536 -7.159 9.085 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.892 -6.797 8.597 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.054 -7.153 10.682 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.382 -6.324 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.371 -8.674 12.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.772 -8.289 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.485 -9.092 10.369 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.185 -3.623 11.121 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.876 -3.857 12.381 1.00 0.00 C ATOM 1472 C ALA B 119 -11.120 -2.987 12.479 1.00 0.00 C ATOM 1473 O ALA B 119 -12.075 -3.346 13.168 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.955 -3.599 13.564 1.00 0.00 C ATOM 0 H ALA B 119 -8.255 -3.217 11.227 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.180 -4.903 12.408 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.496 -3.781 14.493 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.095 -4.267 13.508 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.613 -2.564 13.540 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.119 -1.849 11.771 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.274 -0.979 11.788 1.00 0.00 C ATOM 1482 C TYR B 120 -13.253 -1.402 10.706 1.00 0.00 C ATOM 1483 O TYR B 120 -14.450 -1.455 10.983 1.00 0.00 O ATOM 1484 CB TYR B 120 -11.898 0.522 11.723 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.513 1.108 10.370 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.325 0.994 9.242 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.324 1.818 10.240 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -11.952 1.556 8.034 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -9.955 2.382 9.040 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.765 2.248 7.941 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.381 2.817 6.747 1.00 0.00 O ATOM 0 H TYR B 120 -10.342 -1.525 11.195 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.773 -1.091 12.751 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.743 1.094 12.106 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.065 0.687 12.407 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.260 0.458 9.313 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -9.677 1.929 11.098 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.589 1.452 7.168 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.028 2.930 8.964 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.840 3.615 6.924 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.754 -1.767 9.499 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.656 -2.250 8.429 1.00 0.00 C ATOM 1503 C ASP B 121 -13.065 -2.131 7.025 1.00 0.00 C ATOM 1504 O ASP B 121 -13.780 -1.790 6.080 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.005 -1.506 8.458 1.00 0.00 C ATOM 1506 CG ASP B 121 -16.162 -2.421 8.810 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -16.235 -3.533 8.244 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.996 -2.027 9.649 1.00 0.00 O ATOM 0 H ASP B 121 -11.766 -1.738 9.249 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.800 -3.309 8.641 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -14.954 -0.694 9.183 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.188 -1.052 7.484 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.773 -2.403 6.859 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.183 -2.294 5.533 1.00 0.00 C ATOM 1515 C VAL B 122 -9.779 -2.906 5.428 1.00 0.00 C ATOM 1516 O VAL B 122 -8.772 -2.273 5.748 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.189 -0.806 5.088 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.886 -0.085 5.407 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.517 -0.688 3.607 1.00 0.00 C ATOM 0 H VAL B 122 -11.135 -2.691 7.601 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.799 -2.885 4.855 1.00 0.00 H new ATOM 0 HB VAL B 122 -11.970 -0.312 5.667 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.952 0.950 5.072 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.711 -0.108 6.483 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.061 -0.580 4.895 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.516 0.363 3.317 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.769 -1.226 3.025 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.501 -1.116 3.417 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.704 -4.164 4.989 1.00 0.00 N ATOM 1530 CA ASN B 123 -8.406 -4.820 4.844 1.00 0.00 C ATOM 1531 C ASN B 123 -7.615 -4.148 3.723 1.00 0.00 C ATOM 1532 O ASN B 123 -7.421 -4.717 2.652 1.00 0.00 O ATOM 1533 CB ASN B 123 -8.538 -6.312 4.557 1.00 0.00 C ATOM 1534 CG ASN B 123 -9.265 -7.065 5.653 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -8.686 -7.387 6.686 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -10.537 -7.363 5.433 1.00 0.00 N ATOM 0 H ASN B 123 -10.508 -4.737 4.733 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.879 -4.717 5.793 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -9.070 -6.449 3.615 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -7.544 -6.741 4.427 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -11.069 -7.877 6.135 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -10.984 -7.078 4.562 1.00 0.00 H new ATOM 1543 N ILE B 124 -7.179 -2.928 4.022 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.395 -2.031 3.177 1.00 0.00 C ATOM 1545 C ILE B 124 -6.691 -1.987 1.679 1.00 0.00 C ATOM 1546 O ILE B 124 -6.121 -1.130 1.001 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.900 -2.222 3.359 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.614 -3.369 4.277 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.258 -0.961 3.865 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.820 -4.649 3.556 1.00 0.00 C ATOM 0 H ILE B 124 -7.379 -2.508 4.930 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.739 -1.070 3.559 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.470 -2.455 2.385 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.589 -3.308 4.643 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.267 -3.322 5.148 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -3.187 -1.122 3.988 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.424 -0.156 3.150 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.696 -0.689 4.825 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.611 -5.482 4.227 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.852 -4.711 3.212 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.148 -4.696 2.699 1.00 0.00 H new ATOM 1562 N SER B 125 -7.488 -2.897 1.133 1.00 0.00 N ATOM 1563 CA SER B 125 -7.726 -2.913 -0.305 1.00 0.00 C ATOM 1564 C SER B 125 -7.820 -1.486 -0.849 1.00 0.00 C ATOM 1565 O SER B 125 -7.056 -1.100 -1.744 1.00 0.00 O ATOM 1566 CB SER B 125 -9.000 -3.681 -0.640 1.00 0.00 C ATOM 1567 OG SER B 125 -8.762 -4.637 -1.661 1.00 0.00 O ATOM 0 H SER B 125 -7.975 -3.625 1.656 1.00 0.00 H new ATOM 0 HA SER B 125 -6.884 -3.418 -0.777 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.373 -4.182 0.253 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.775 -2.985 -0.962 1.00 0.00 H new ATOM 0 HG SER B 125 -9.592 -5.119 -1.858 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.733 -0.698 -0.281 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.884 0.688 -0.694 1.00 0.00 C ATOM 1575 C GLY B 126 -7.900 1.613 0.013 1.00 0.00 C ATOM 1576 O GLY B 126 -7.480 2.619 -0.553 1.00 0.00 O ATOM 0 H GLY B 126 -9.370 -0.996 0.458 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.738 0.762 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -9.902 1.018 -0.487 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.521 1.265 1.251 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.583 2.061 2.027 1.00 0.00 C ATOM 1582 C LEU B 127 -5.240 2.153 1.317 1.00 0.00 C ATOM 1583 O LEU B 127 -4.807 3.250 0.953 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.411 1.461 3.424 1.00 0.00 C ATOM 1585 CG LEU B 127 -5.667 2.334 4.435 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -4.179 2.028 4.412 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -5.925 3.803 4.157 1.00 0.00 C ATOM 0 H LEU B 127 -7.857 0.430 1.731 1.00 0.00 H new ATOM 0 HA LEU B 127 -6.985 3.069 2.127 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.399 1.234 3.826 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.880 0.514 3.329 1.00 0.00 H new ATOM 0 HG LEU B 127 -6.042 2.107 5.433 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.666 2.659 5.138 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.019 0.980 4.665 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -3.782 2.225 3.416 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -5.388 4.411 4.885 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.579 4.050 3.153 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -6.993 4.005 4.232 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.583 1.003 1.100 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.308 0.997 0.406 1.00 0.00 C ATOM 1601 C VAL B 128 -3.423 1.784 -0.906 1.00 0.00 C ATOM 1602 O VAL B 128 -2.787 2.811 -1.075 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.852 -0.444 0.111 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.702 -0.455 -0.882 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.449 -1.149 1.395 1.00 0.00 C ATOM 0 H VAL B 128 -4.916 0.085 1.394 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.565 1.470 1.049 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.691 -0.981 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.397 -1.484 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.022 0.009 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -0.860 0.102 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.130 -2.166 1.167 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.628 -0.608 1.865 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.300 -1.180 2.076 1.00 0.00 H new ATOM 1615 N SER B 129 -4.252 1.278 -1.812 1.00 0.00 N ATOM 1616 CA SER B 129 -4.501 1.882 -3.125 1.00 0.00 C ATOM 1617 C SER B 129 -4.849 3.379 -3.077 1.00 0.00 C ATOM 1618 O SER B 129 -4.259 4.166 -3.821 1.00 0.00 O ATOM 1619 CB SER B 129 -5.640 1.130 -3.797 1.00 0.00 C ATOM 1620 OG SER B 129 -6.766 1.027 -2.934 1.00 0.00 O ATOM 0 H SER B 129 -4.782 0.421 -1.656 1.00 0.00 H new ATOM 0 HA SER B 129 -3.570 1.804 -3.686 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.927 1.643 -4.715 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.304 0.133 -4.081 1.00 0.00 H new ATOM 0 HG SER B 129 -7.007 0.084 -2.821 1.00 0.00 H new ATOM 1626 N THR B 130 -5.786 3.782 -2.212 1.00 0.00 N ATOM 1627 CA THR B 130 -6.157 5.193 -2.114 1.00 0.00 C ATOM 1628 C THR B 130 -4.945 5.958 -1.658 1.00 0.00 C ATOM 1629 O THR B 130 -4.541 6.949 -2.270 1.00 0.00 O ATOM 1630 CB THR B 130 -7.324 5.409 -1.137 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.564 5.335 -1.816 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.286 6.745 -0.422 1.00 0.00 C ATOM 0 H THR B 130 -6.292 3.161 -1.581 1.00 0.00 H new ATOM 0 HA THR B 130 -6.493 5.546 -3.089 1.00 0.00 H new ATOM 0 HB THR B 130 -7.218 4.616 -0.396 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.295 5.473 -1.178 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.141 6.823 0.249 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.364 6.823 0.154 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.325 7.551 -1.155 1.00 0.00 H new ATOM 1640 N THR B 131 -4.356 5.463 -0.579 1.00 0.00 N ATOM 1641 CA THR B 131 -3.169 6.074 -0.035 1.00 0.00 C ATOM 1642 C THR B 131 -2.071 6.107 -1.086 1.00 0.00 C ATOM 1643 O THR B 131 -1.375 7.112 -1.249 1.00 0.00 O ATOM 1644 CB THR B 131 -2.673 5.326 1.197 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.720 5.127 2.127 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.553 6.052 1.899 1.00 0.00 C ATOM 0 H THR B 131 -4.685 4.643 -0.070 1.00 0.00 H new ATOM 0 HA THR B 131 -3.424 7.091 0.262 1.00 0.00 H new ATOM 0 HB THR B 131 -2.301 4.368 0.834 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.101 4.232 2.004 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.236 5.477 2.769 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.712 6.170 1.216 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.901 7.034 2.220 1.00 0.00 H new ATOM 1654 N MET B 132 -1.940 4.998 -1.807 1.00 0.00 N ATOM 1655 CA MET B 132 -0.954 4.871 -2.859 1.00 0.00 C ATOM 1656 C MET B 132 -1.172 5.932 -3.918 1.00 0.00 C ATOM 1657 O MET B 132 -0.285 6.707 -4.189 1.00 0.00 O ATOM 1658 CB MET B 132 -1.031 3.490 -3.502 1.00 0.00 C ATOM 1659 CG MET B 132 -0.603 2.362 -2.589 1.00 0.00 C ATOM 1660 SD MET B 132 0.698 1.361 -3.307 1.00 0.00 S ATOM 1661 CE MET B 132 1.150 0.361 -1.915 1.00 0.00 C ATOM 0 H MET B 132 -2.516 4.167 -1.674 1.00 0.00 H new ATOM 0 HA MET B 132 0.033 5.003 -2.415 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.055 3.310 -3.830 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.404 3.480 -4.394 1.00 0.00 H new ATOM 0 HG2 MET B 132 -0.259 2.776 -1.641 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.464 1.731 -2.367 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.117 -0.107 -2.102 1.00 0.00 H new ATOM 0 HE2 MET B 132 1.215 0.986 -1.024 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.397 -0.412 -1.762 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.360 5.974 -4.510 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.648 6.969 -5.540 1.00 0.00 C ATOM 1673 C GLN B 133 -2.243 8.364 -5.068 1.00 0.00 C ATOM 1674 O GLN B 133 -1.661 9.140 -5.827 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.135 6.937 -5.910 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.713 8.296 -6.298 1.00 0.00 C ATOM 1677 CD GLN B 133 -6.201 8.249 -6.577 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -6.981 8.976 -5.967 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -6.604 7.391 -7.501 1.00 0.00 N ATOM 0 H GLN B 133 -3.131 5.340 -4.299 1.00 0.00 H new ATOM 0 HA GLN B 133 -2.064 6.726 -6.428 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.277 6.244 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.700 6.542 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.522 9.008 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.195 8.666 -7.183 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -5.923 6.805 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -7.595 7.316 -7.729 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.531 8.672 -3.809 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.177 9.969 -3.246 1.00 0.00 C ATOM 1690 C ASN B 134 -0.656 10.125 -3.167 1.00 0.00 C ATOM 1691 O ASN B 134 -0.106 11.101 -3.686 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.866 10.145 -1.873 1.00 0.00 C ATOM 1693 CG ASN B 134 -1.926 10.524 -0.745 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -1.259 11.552 -0.792 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -1.884 9.696 0.287 1.00 0.00 N ATOM 0 H ASN B 134 -3.007 8.044 -3.161 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.537 10.764 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.635 10.912 -1.962 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.371 9.215 -1.612 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -1.280 9.903 1.083 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -2.455 8.851 0.286 1.00 0.00 H new ATOM 1702 N GLU B 135 0.023 9.148 -2.566 1.00 0.00 N ATOM 1703 CA GLU B 135 1.482 9.185 -2.476 1.00 0.00 C ATOM 1704 C GLU B 135 2.117 8.850 -3.836 1.00 0.00 C ATOM 1705 O GLU B 135 3.298 9.095 -4.052 1.00 0.00 O ATOM 1706 CB GLU B 135 1.975 8.211 -1.397 1.00 0.00 C ATOM 1707 CG GLU B 135 3.480 8.272 -1.153 1.00 0.00 C ATOM 1708 CD GLU B 135 3.897 9.489 -0.351 1.00 0.00 C ATOM 1709 OE1 GLU B 135 3.568 9.545 0.852 1.00 0.00 O ATOM 1710 OE2 GLU B 135 4.558 10.381 -0.926 1.00 0.00 O ATOM 0 H GLU B 135 -0.409 8.329 -2.138 1.00 0.00 H new ATOM 0 HA GLU B 135 1.785 10.194 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.456 8.425 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU B 135 1.704 7.196 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.795 7.371 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU B 135 3.999 8.279 -2.112 1.00 0.00 H new ATOM 1717 N ALA B 136 1.315 8.303 -4.751 1.00 0.00 N ATOM 1718 CA ALA B 136 1.762 7.942 -6.092 1.00 0.00 C ATOM 1719 C ALA B 136 1.632 9.117 -7.043 1.00 0.00 C ATOM 1720 O ALA B 136 2.478 9.316 -7.906 1.00 0.00 O ATOM 1721 CB ALA B 136 0.946 6.777 -6.613 1.00 0.00 C ATOM 0 H ALA B 136 0.331 8.098 -4.579 1.00 0.00 H new ATOM 0 HA ALA B 136 2.812 7.657 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.286 6.514 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.071 5.920 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -0.107 7.057 -6.649 1.00 0.00 H new ATOM 1727 N ARG B 137 0.561 9.892 -6.887 1.00 0.00 N ATOM 1728 CA ARG B 137 0.342 11.048 -7.732 1.00 0.00 C ATOM 1729 C ARG B 137 1.315 12.141 -7.384 1.00 0.00 C ATOM 1730 O ARG B 137 1.999 12.700 -8.243 1.00 0.00 O ATOM 1731 CB ARG B 137 -1.040 11.618 -7.514 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.902 11.587 -8.751 1.00 0.00 C ATOM 1733 CD ARG B 137 -1.494 12.683 -9.720 1.00 0.00 C ATOM 1734 NE ARG B 137 -1.376 12.192 -11.094 1.00 0.00 N ATOM 1735 CZ ARG B 137 -0.679 12.806 -12.044 1.00 0.00 C ATOM 1736 NH1 ARG B 137 0.006 13.899 -11.779 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -0.659 12.324 -13.266 1.00 0.00 N ATOM 0 H ARG B 137 -0.162 9.736 -6.185 1.00 0.00 H new ATOM 0 HA ARG B 137 0.468 10.719 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.535 11.058 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.950 12.648 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.814 10.615 -9.236 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.949 11.712 -8.474 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -2.228 13.488 -9.686 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -0.541 13.108 -9.405 1.00 0.00 H new ATOM 0 HE ARG B 137 -1.858 11.326 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG B 137 0.006 14.285 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG B 137 0.537 14.360 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -1.180 11.476 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -0.123 12.798 -13.993 1.00 0.00 H new ATOM 1751 N ARG B 138 1.321 12.467 -6.102 1.00 0.00 N ATOM 1752 CA ARG B 138 2.160 13.523 -5.603 1.00 0.00 C ATOM 1753 C ARG B 138 3.591 13.071 -5.280 1.00 0.00 C ATOM 1754 O ARG B 138 4.540 13.807 -5.546 1.00 0.00 O ATOM 1755 CB ARG B 138 1.518 14.171 -4.374 1.00 0.00 C ATOM 1756 CG ARG B 138 1.801 15.662 -4.247 1.00 0.00 C ATOM 1757 CD ARG B 138 1.494 16.415 -5.535 1.00 0.00 C ATOM 1758 NE ARG B 138 0.195 17.088 -5.488 1.00 0.00 N ATOM 1759 CZ ARG B 138 -0.958 16.535 -5.838 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -1.013 15.287 -6.258 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -2.063 17.248 -5.767 1.00 0.00 N ATOM 0 H ARG B 138 0.749 12.009 -5.393 1.00 0.00 H new ATOM 0 HA ARG B 138 2.245 14.254 -6.407 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.440 14.018 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG B 138 1.878 13.665 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG B 138 1.204 16.076 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG B 138 2.848 15.811 -3.981 1.00 0.00 H new ATOM 0 HD2 ARG B 138 2.276 17.152 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG B 138 1.510 15.718 -6.373 1.00 0.00 H new ATOM 0 HE ARG B 138 0.175 18.054 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -0.160 14.731 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -1.909 14.877 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -2.026 18.215 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -2.956 16.833 -6.034 1.00 0.00 H new