USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 866 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 84 GLN :FLIP amide:sc= -0.404 F(o=-13!,f=-2.2) USER MOD Set 1.2: A 86 TYR OH : rot 34:sc= -1.84! USER MOD Set 2.1: A 55 LYS NZ :NH3+ -119:sc= -1.93! (180deg=-3.75!) USER MOD Set 2.2: A 109 LYS NZ :NH3+ -173:sc= 0.0846 (180deg=-0.216) USER MOD Single : A 2 GLN : amide:sc= -4.9! C(o=-4.9!,f=-6.3!) USER MOD Single : A 6 LYS NZ :NH3+ -100:sc=-0.000392 (180deg=-0.813) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.62! C(o=-2.3!,f=-1.6!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0566 K(o=-0.057,f=-0.66) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0.0462 K(o=0.046,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= -2.34! (180deg=-2.53!) USER MOD Single : A 36 GLN : amide:sc= -3.52! C(o=-3.5!,f=-9.9!) USER MOD Single : A 44 ASN : amide:sc= -7.31! C(o=-7.3!,f=-14!) USER MOD Single : A 45 GLN : amide:sc= -0.582 K(o=-0.58,f=-1.4!) USER MOD Single : A 46 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -3.13! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.0366 (180deg=-0.624) USER MOD Single : A 57 SER OG : rot -30:sc= 0.792 USER MOD Single : A 71 ASN : amide:sc= -3.91! C(o=-3.9!,f=-6.3!) USER MOD Single : A 74 HIS : no HD1:sc= -5.66! C(o=-5.7!,f=-8.7!) USER MOD Single : A 75 TYR OH : rot -25:sc= -6.51! USER MOD Single : A 76 MET CE :methyl 170:sc= -2.77! (180deg=-2.94!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.173 F(o=-1.2,f=-0.17) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -158:sc= -0.583! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.841 F(o=-2.3!,f=-0.84) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 1.05 (180deg=-0.0792) USER MOD Single : A 101 SER OG : rot 48:sc= 0.0713 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.776 F(o=-2.7!,f=-0.78) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 111 MET CE :methyl 175:sc= 0 (180deg=-0.0346) USER MOD ----------------------------------------------------------------- ATOM 14 N GLN A 2 -1.464 11.206 9.657 1.00 0.00 N ATOM 15 CA GLN A 2 -1.658 9.734 9.774 1.00 0.00 C ATOM 16 C GLN A 2 -3.140 9.353 9.640 1.00 0.00 C ATOM 17 O GLN A 2 -4.009 10.198 9.716 1.00 0.00 O ATOM 18 CB GLN A 2 -1.151 9.394 11.136 1.00 0.00 C ATOM 19 CG GLN A 2 0.179 8.768 10.980 1.00 0.00 C ATOM 20 CD GLN A 2 1.228 9.821 10.605 1.00 0.00 C ATOM 21 OE1 GLN A 2 0.911 10.804 9.968 1.00 0.00 O ATOM 22 NE2 GLN A 2 2.475 9.663 10.978 1.00 0.00 N ATOM 0 HA GLN A 2 -1.135 9.193 8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.081 10.290 11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.837 8.713 11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.466 8.275 11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.137 7.998 10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.747 8.839 11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.174 10.365 10.733 1.00 0.00 H new ATOM 31 N VAL A 3 -3.443 8.091 9.444 1.00 0.00 N ATOM 32 CA VAL A 3 -4.846 7.673 9.311 1.00 0.00 C ATOM 33 C VAL A 3 -4.972 6.296 9.962 1.00 0.00 C ATOM 34 O VAL A 3 -4.003 5.766 10.468 1.00 0.00 O ATOM 35 CB VAL A 3 -5.068 7.565 7.796 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.310 8.679 7.062 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.628 6.181 7.270 1.00 0.00 C ATOM 0 H VAL A 3 -2.760 7.337 9.372 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.563 8.350 9.775 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.134 7.680 7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.478 8.588 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.669 9.650 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.244 8.592 7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.796 6.130 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.569 6.032 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.209 5.402 7.765 1.00 0.00 H new ATOM 47 N ASP A 4 -6.117 5.682 9.937 1.00 0.00 N ATOM 48 CA ASP A 4 -6.188 4.341 10.539 1.00 0.00 C ATOM 49 C ASP A 4 -5.621 3.360 9.585 1.00 0.00 C ATOM 50 O ASP A 4 -5.745 3.471 8.382 1.00 0.00 O ATOM 51 CB ASP A 4 -7.645 4.075 10.975 1.00 0.00 C ATOM 52 CG ASP A 4 -8.105 2.689 10.510 1.00 0.00 C ATOM 53 OD1 ASP A 4 -7.403 1.730 10.787 1.00 0.00 O ATOM 54 OD2 ASP A 4 -9.150 2.611 9.886 1.00 0.00 O ATOM 0 H ASP A 4 -6.982 6.043 9.536 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.586 4.251 11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.724 4.145 12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.300 4.840 10.558 1.00 0.00 H new ATOM 59 N VAL A 5 -4.807 2.506 10.129 1.00 0.00 N ATOM 60 CA VAL A 5 -4.021 1.650 9.267 1.00 0.00 C ATOM 61 C VAL A 5 -3.292 0.595 10.120 1.00 0.00 C ATOM 62 O VAL A 5 -3.195 0.742 11.322 1.00 0.00 O ATOM 63 CB VAL A 5 -3.127 2.747 8.737 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.698 2.622 9.278 1.00 0.00 C ATOM 65 CG2 VAL A 5 -3.127 2.717 7.208 1.00 0.00 C ATOM 0 H VAL A 5 -4.666 2.378 11.131 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.518 1.048 8.506 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.521 3.704 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.085 3.428 8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.714 2.687 10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.278 1.662 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.482 3.509 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.757 1.751 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.142 2.869 6.841 1.00 0.00 H new ATOM 75 N LYS A 6 -2.781 -0.456 9.543 1.00 0.00 N ATOM 76 CA LYS A 6 -2.081 -1.471 10.394 1.00 0.00 C ATOM 77 C LYS A 6 -0.901 -2.091 9.718 1.00 0.00 C ATOM 78 O LYS A 6 -0.916 -2.489 8.580 1.00 0.00 O ATOM 79 CB LYS A 6 -3.093 -2.545 10.702 1.00 0.00 C ATOM 80 CG LYS A 6 -4.448 -1.922 11.048 1.00 0.00 C ATOM 81 CD LYS A 6 -5.224 -1.626 9.762 1.00 0.00 C ATOM 82 CE LYS A 6 -6.666 -2.111 9.914 1.00 0.00 C ATOM 83 NZ LYS A 6 -6.635 -3.552 9.535 1.00 0.00 N ATOM 0 H LYS A 6 -2.813 -0.658 8.544 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.699 -0.978 11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.200 -3.209 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.743 -3.154 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.020 -2.600 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.302 -1.003 11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.209 -0.556 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.749 -2.122 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.020 -1.980 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.341 -1.548 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.972 -3.661 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.661 -3.909 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.251 -4.093 10.176 1.00 0.00 H new ATOM 97 N ASP A 7 0.109 -2.205 10.478 1.00 0.00 N ATOM 98 CA ASP A 7 1.361 -2.834 10.007 1.00 0.00 C ATOM 99 C ASP A 7 1.138 -4.339 9.838 1.00 0.00 C ATOM 100 O ASP A 7 0.350 -4.938 10.544 1.00 0.00 O ATOM 101 CB ASP A 7 2.306 -2.537 11.139 1.00 0.00 C ATOM 102 CG ASP A 7 3.603 -3.328 10.963 1.00 0.00 C ATOM 103 OD1 ASP A 7 4.270 -3.118 9.962 1.00 0.00 O ATOM 104 OD2 ASP A 7 3.908 -4.129 11.830 1.00 0.00 O ATOM 0 H ASP A 7 0.136 -1.881 11.445 1.00 0.00 H new ATOM 0 HA ASP A 7 1.726 -2.473 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.524 -1.469 11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.840 -2.796 12.090 1.00 0.00 H new ATOM 109 N CYS A 8 1.815 -4.959 8.915 1.00 0.00 N ATOM 110 CA CYS A 8 1.629 -6.419 8.712 1.00 0.00 C ATOM 111 C CYS A 8 2.981 -7.077 8.497 1.00 0.00 C ATOM 112 O CYS A 8 3.075 -8.184 8.009 1.00 0.00 O ATOM 113 CB CYS A 8 0.755 -6.552 7.467 1.00 0.00 C ATOM 114 SG CYS A 8 1.381 -5.523 6.091 1.00 0.00 S ATOM 0 H CYS A 8 2.490 -4.516 8.292 1.00 0.00 H new ATOM 0 HA CYS A 8 1.165 -6.903 9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.722 -7.596 7.155 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.267 -6.258 7.706 1.00 0.00 H new ATOM 119 N ALA A 9 4.044 -6.375 8.810 1.00 0.00 N ATOM 120 CA ALA A 9 5.393 -6.964 8.555 1.00 0.00 C ATOM 121 C ALA A 9 6.216 -6.945 9.819 1.00 0.00 C ATOM 122 O ALA A 9 6.249 -7.900 10.568 1.00 0.00 O ATOM 123 CB ALA A 9 6.011 -6.088 7.448 1.00 0.00 C ATOM 0 H ALA A 9 4.037 -5.442 9.221 1.00 0.00 H new ATOM 0 HA ALA A 9 5.346 -8.008 8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.007 -6.458 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.382 -6.127 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.082 -5.058 7.797 1.00 0.00 H new ATOM 129 N ASN A 10 6.842 -5.876 10.085 1.00 0.00 N ATOM 130 CA ASN A 10 7.629 -5.805 11.346 1.00 0.00 C ATOM 131 C ASN A 10 7.895 -4.367 11.772 1.00 0.00 C ATOM 132 O ASN A 10 9.014 -3.899 11.791 1.00 0.00 O ATOM 133 CB ASN A 10 8.897 -6.616 11.132 1.00 0.00 C ATOM 134 CG ASN A 10 10.004 -6.188 12.114 1.00 0.00 C ATOM 135 OD1 ASN A 10 10.953 -5.341 11.751 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 10.012 -6.635 13.244 1.00 0.00 N flip ATOM 0 H ASN A 10 6.858 -5.039 9.503 1.00 0.00 H new ATOM 0 HA ASN A 10 7.066 -6.231 12.177 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.680 -7.676 11.264 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.246 -6.487 10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.287 -7.289 13.539 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.744 -6.356 13.898 1.00 0.00 H new ATOM 143 N HIS A 11 6.843 -3.675 12.131 1.00 0.00 N ATOM 144 CA HIS A 11 6.967 -2.259 12.584 1.00 0.00 C ATOM 145 C HIS A 11 8.095 -1.564 11.838 1.00 0.00 C ATOM 146 O HIS A 11 8.779 -0.708 12.363 1.00 0.00 O ATOM 147 CB HIS A 11 7.264 -2.332 14.070 1.00 0.00 C ATOM 148 CG HIS A 11 6.429 -3.407 14.713 1.00 0.00 C ATOM 149 ND1 HIS A 11 5.065 -3.520 14.487 1.00 0.00 N ATOM 150 CD2 HIS A 11 6.750 -4.422 15.581 1.00 0.00 C ATOM 151 CE1 HIS A 11 4.621 -4.567 15.204 1.00 0.00 C ATOM 152 NE2 HIS A 11 5.606 -5.154 15.889 1.00 0.00 N ATOM 0 H HIS A 11 5.890 -4.038 12.129 1.00 0.00 H new ATOM 0 HA HIS A 11 6.061 -1.686 12.388 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.322 -2.540 14.227 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.055 -1.370 14.538 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.739 -4.622 15.966 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.592 -4.894 15.224 1.00 0.00 H new ATOM 0 HE2 HIS A 11 5.535 -5.964 16.505 1.00 0.00 H new ATOM 160 N GLU A 12 8.291 -1.943 10.615 1.00 0.00 N ATOM 161 CA GLU A 12 9.374 -1.327 9.814 1.00 0.00 C ATOM 162 C GLU A 12 8.865 -0.123 9.025 1.00 0.00 C ATOM 163 O GLU A 12 9.428 0.260 8.018 1.00 0.00 O ATOM 164 CB GLU A 12 9.871 -2.401 8.918 1.00 0.00 C ATOM 165 CG GLU A 12 11.390 -2.442 8.976 1.00 0.00 C ATOM 166 CD GLU A 12 11.960 -2.158 7.586 1.00 0.00 C ATOM 167 OE1 GLU A 12 11.984 -1.002 7.203 1.00 0.00 O ATOM 168 OE2 GLU A 12 12.358 -3.104 6.926 1.00 0.00 O ATOM 0 H GLU A 12 7.745 -2.657 10.132 1.00 0.00 H new ATOM 0 HA GLU A 12 10.173 -0.943 10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.458 -3.363 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.540 -2.220 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.758 -1.704 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.725 -3.418 9.326 1.00 0.00 H new ATOM 175 N ILE A 13 7.779 0.457 9.461 1.00 0.00 N ATOM 176 CA ILE A 13 7.196 1.612 8.735 1.00 0.00 C ATOM 177 C ILE A 13 7.113 2.847 9.631 1.00 0.00 C ATOM 178 O ILE A 13 7.677 2.909 10.705 1.00 0.00 O ATOM 179 CB ILE A 13 5.821 1.049 8.338 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.715 1.001 6.809 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.645 1.874 8.916 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.260 0.761 6.395 1.00 0.00 C ATOM 0 H ILE A 13 7.269 0.174 10.298 1.00 0.00 H new ATOM 0 HA ILE A 13 7.776 1.963 7.881 1.00 0.00 H new ATOM 0 HB ILE A 13 5.745 0.047 8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.074 1.937 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.350 0.207 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.700 1.430 8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.702 1.876 10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.704 2.898 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.192 0.728 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.915 -0.187 6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.636 1.571 6.773 1.00 0.00 H new ATOM 194 N LYS A 14 6.394 3.817 9.173 1.00 0.00 N ATOM 195 CA LYS A 14 6.215 5.076 9.943 1.00 0.00 C ATOM 196 C LYS A 14 5.006 5.860 9.415 1.00 0.00 C ATOM 197 O LYS A 14 4.197 6.317 10.198 1.00 0.00 O ATOM 198 CB LYS A 14 7.521 5.873 9.836 1.00 0.00 C ATOM 199 CG LYS A 14 7.854 6.212 8.384 1.00 0.00 C ATOM 200 CD LYS A 14 8.812 7.406 8.358 1.00 0.00 C ATOM 201 CE LYS A 14 10.256 6.906 8.429 1.00 0.00 C ATOM 202 NZ LYS A 14 11.031 8.044 8.997 1.00 0.00 N ATOM 0 H LYS A 14 5.909 3.796 8.276 1.00 0.00 H new ATOM 0 HA LYS A 14 6.008 4.869 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.435 6.793 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.337 5.297 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.310 5.353 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.943 6.448 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.662 7.986 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.605 8.070 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.336 6.020 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.627 6.630 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.033 7.777 9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.942 8.871 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.660 8.280 9.939 1.00 0.00 H new ATOM 216 N LYS A 15 4.817 6.019 8.109 1.00 0.00 N ATOM 217 CA LYS A 15 3.587 6.770 7.696 1.00 0.00 C ATOM 218 C LYS A 15 2.997 6.252 6.411 1.00 0.00 C ATOM 219 O LYS A 15 3.676 5.903 5.477 1.00 0.00 O ATOM 220 CB LYS A 15 3.963 8.246 7.589 1.00 0.00 C ATOM 221 CG LYS A 15 2.775 9.000 7.044 1.00 0.00 C ATOM 222 CD LYS A 15 2.872 10.433 7.538 1.00 0.00 C ATOM 223 CE LYS A 15 2.822 11.395 6.350 1.00 0.00 C ATOM 224 NZ LYS A 15 4.069 12.202 6.462 1.00 0.00 N ATOM 0 H LYS A 15 5.424 5.682 7.361 1.00 0.00 H new ATOM 0 HA LYS A 15 2.807 6.629 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.245 8.638 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.825 8.372 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.770 8.970 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.845 8.542 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.053 10.647 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.799 10.574 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.784 10.854 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.936 12.028 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.110 12.888 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.073 12.710 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.895 11.572 6.414 1.00 0.00 H new ATOM 238 N VAL A 16 1.713 6.198 6.373 1.00 0.00 N ATOM 239 CA VAL A 16 1.034 5.698 5.134 1.00 0.00 C ATOM 240 C VAL A 16 -0.183 6.539 4.801 1.00 0.00 C ATOM 241 O VAL A 16 -1.235 6.444 5.400 1.00 0.00 O ATOM 242 CB VAL A 16 0.629 4.231 5.369 1.00 0.00 C ATOM 243 CG1 VAL A 16 1.182 3.376 4.231 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.179 3.716 6.704 1.00 0.00 C ATOM 0 H VAL A 16 1.091 6.473 7.134 1.00 0.00 H new ATOM 0 HA VAL A 16 1.717 5.770 4.287 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.459 4.168 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.900 2.335 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.772 3.723 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.269 3.459 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.878 2.678 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.267 3.781 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.783 4.322 7.519 1.00 0.00 H new ATOM 254 N LEU A 17 -0.009 7.344 3.816 1.00 0.00 N ATOM 255 CA LEU A 17 -1.111 8.234 3.332 1.00 0.00 C ATOM 256 C LEU A 17 -1.815 7.640 2.129 1.00 0.00 C ATOM 257 O LEU A 17 -1.221 7.262 1.140 1.00 0.00 O ATOM 258 CB LEU A 17 -0.473 9.559 3.000 1.00 0.00 C ATOM 259 CG LEU A 17 -1.089 10.650 3.851 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.624 12.016 3.353 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.614 10.561 3.789 1.00 0.00 C ATOM 0 H LEU A 17 0.867 7.437 3.302 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.879 8.353 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.602 9.510 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.613 9.786 1.943 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.770 10.520 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.069 12.798 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.462 12.077 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.933 12.150 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.050 11.349 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.944 10.681 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.937 9.589 4.162 1.00 0.00 H new ATOM 273 N VAL A 18 -3.104 7.573 2.235 1.00 0.00 N ATOM 274 CA VAL A 18 -3.935 7.015 1.119 1.00 0.00 C ATOM 275 C VAL A 18 -5.234 7.817 0.998 1.00 0.00 C ATOM 276 O VAL A 18 -5.762 8.290 1.984 1.00 0.00 O ATOM 277 CB VAL A 18 -4.230 5.560 1.502 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.325 4.983 0.594 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.961 4.719 1.343 1.00 0.00 C ATOM 0 H VAL A 18 -3.633 7.881 3.051 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.424 7.071 0.158 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.568 5.534 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.525 3.949 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.236 5.572 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.993 5.018 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.173 3.685 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.625 4.759 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.180 5.113 1.993 1.00 0.00 H new ATOM 289 N PRO A 19 -5.704 7.952 -0.215 1.00 0.00 N ATOM 290 CA PRO A 19 -6.951 8.717 -0.467 1.00 0.00 C ATOM 291 C PRO A 19 -8.149 7.978 0.132 1.00 0.00 C ATOM 292 O PRO A 19 -8.727 7.109 -0.489 1.00 0.00 O ATOM 293 CB PRO A 19 -7.037 8.769 -1.994 1.00 0.00 C ATOM 294 CG PRO A 19 -6.256 7.603 -2.461 1.00 0.00 C ATOM 295 CD PRO A 19 -5.138 7.407 -1.456 1.00 0.00 C ATOM 0 HA PRO A 19 -6.952 9.710 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.071 8.713 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.625 9.701 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.884 6.714 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.855 7.779 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.872 6.355 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.233 7.937 -1.752 1.00 0.00 H new ATOM 303 N GLY A 20 -8.525 8.308 1.340 1.00 0.00 N ATOM 304 CA GLY A 20 -9.683 7.609 1.965 1.00 0.00 C ATOM 305 C GLY A 20 -9.840 8.051 3.420 1.00 0.00 C ATOM 306 O GLY A 20 -10.490 9.036 3.711 1.00 0.00 O ATOM 0 H GLY A 20 -8.084 9.025 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.594 7.830 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.535 6.530 1.918 1.00 0.00 H new ATOM 310 N CYS A 21 -9.267 7.324 4.340 1.00 0.00 N ATOM 311 CA CYS A 21 -9.417 7.716 5.781 1.00 0.00 C ATOM 312 C CYS A 21 -8.235 8.572 6.254 1.00 0.00 C ATOM 313 O CYS A 21 -7.182 8.571 5.649 1.00 0.00 O ATOM 314 CB CYS A 21 -9.463 6.429 6.583 1.00 0.00 C ATOM 315 SG CYS A 21 -11.103 5.660 6.441 1.00 0.00 S ATOM 0 H CYS A 21 -8.709 6.488 4.167 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.321 8.310 5.914 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.698 5.741 6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.240 6.636 7.630 1.00 0.00 H new ATOM 0 HG CYS A 21 -11.127 4.558 7.131 1.00 0.00 H new ATOM 320 N HIS A 22 -8.382 9.280 7.353 1.00 0.00 N ATOM 321 CA HIS A 22 -7.235 10.089 7.864 1.00 0.00 C ATOM 322 C HIS A 22 -7.125 9.927 9.362 1.00 0.00 C ATOM 323 O HIS A 22 -6.337 10.577 10.020 1.00 0.00 O ATOM 324 CB HIS A 22 -7.477 11.560 7.454 1.00 0.00 C ATOM 325 CG HIS A 22 -8.954 11.841 7.384 1.00 0.00 C ATOM 326 ND1 HIS A 22 -9.802 11.606 8.453 1.00 0.00 N ATOM 327 CD2 HIS A 22 -9.745 12.344 6.380 1.00 0.00 C ATOM 328 CE1 HIS A 22 -11.042 11.966 8.073 1.00 0.00 C ATOM 329 NE2 HIS A 22 -11.064 12.421 6.818 1.00 0.00 N ATOM 0 H HIS A 22 -9.236 9.330 7.909 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.290 9.753 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.005 12.229 8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.015 11.757 6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.397 12.635 5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.914 11.895 8.707 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.873 12.753 6.293 1.00 0.00 H new ATOM 337 N GLY A 23 -7.871 9.019 9.896 1.00 0.00 N ATOM 338 CA GLY A 23 -7.768 8.756 11.354 1.00 0.00 C ATOM 339 C GLY A 23 -8.719 7.623 11.747 1.00 0.00 C ATOM 340 O GLY A 23 -9.011 6.754 10.949 1.00 0.00 O ATOM 0 H GLY A 23 -8.548 8.445 9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.743 8.489 11.613 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.013 9.659 11.914 1.00 0.00 H new ATOM 473 N GLY A 32 -13.906 7.200 -8.341 1.00 0.00 N ATOM 474 CA GLY A 32 -14.507 5.873 -8.307 1.00 0.00 C ATOM 475 C GLY A 32 -13.477 4.921 -7.723 1.00 0.00 C ATOM 476 O GLY A 32 -13.380 4.821 -6.518 1.00 0.00 O ATOM 0 HA2 GLY A 32 -15.413 5.878 -7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.796 5.557 -9.309 1.00 0.00 H new ATOM 480 N LYS A 33 -12.692 4.202 -8.511 1.00 0.00 N ATOM 481 CA LYS A 33 -11.753 3.312 -7.850 1.00 0.00 C ATOM 482 C LYS A 33 -10.291 3.493 -8.248 1.00 0.00 C ATOM 483 O LYS A 33 -9.791 2.900 -9.189 1.00 0.00 O ATOM 484 CB LYS A 33 -12.273 1.948 -8.123 1.00 0.00 C ATOM 485 CG LYS A 33 -13.734 1.942 -7.721 1.00 0.00 C ATOM 486 CD LYS A 33 -13.918 2.349 -6.258 1.00 0.00 C ATOM 487 CE LYS A 33 -14.506 1.185 -5.464 1.00 0.00 C ATOM 488 NZ LYS A 33 -13.325 0.471 -4.904 1.00 0.00 N ATOM 0 H LYS A 33 -12.681 4.210 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.707 3.534 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.162 1.697 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.714 1.202 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.291 2.625 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.151 0.947 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.960 2.645 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.577 3.215 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.166 1.540 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.098 0.530 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.642 -0.382 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.685 0.199 -5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.823 1.097 -4.243 1.00 0.00 H new ATOM 502 N PRO A 34 -9.659 4.323 -7.487 1.00 0.00 N ATOM 503 CA PRO A 34 -8.224 4.647 -7.620 1.00 0.00 C ATOM 504 C PRO A 34 -7.450 4.023 -6.465 1.00 0.00 C ATOM 505 O PRO A 34 -7.928 3.951 -5.349 1.00 0.00 O ATOM 506 CB PRO A 34 -8.263 6.160 -7.468 1.00 0.00 C ATOM 507 CG PRO A 34 -9.497 6.432 -6.619 1.00 0.00 C ATOM 508 CD PRO A 34 -10.241 5.117 -6.443 1.00 0.00 C ATOM 0 HA PRO A 34 -7.751 4.293 -8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.360 6.533 -6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.333 6.654 -8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.211 6.841 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.137 7.171 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.079 4.682 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.318 5.234 -6.567 1.00 0.00 H new ATOM 516 N PHE A 35 -6.253 3.594 -6.720 1.00 0.00 N ATOM 517 CA PHE A 35 -5.433 2.994 -5.629 1.00 0.00 C ATOM 518 C PHE A 35 -4.164 3.822 -5.463 1.00 0.00 C ATOM 519 O PHE A 35 -3.170 3.605 -6.134 1.00 0.00 O ATOM 520 CB PHE A 35 -5.136 1.566 -6.063 1.00 0.00 C ATOM 521 CG PHE A 35 -6.422 0.951 -6.610 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.654 1.241 -5.991 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.399 0.105 -7.731 1.00 0.00 C ATOM 524 CE1 PHE A 35 -8.840 0.691 -6.486 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.591 -0.445 -8.223 1.00 0.00 C ATOM 526 CZ PHE A 35 -8.809 -0.152 -7.600 1.00 0.00 C ATOM 0 H PHE A 35 -5.802 3.630 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.940 2.986 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.357 1.556 -6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.765 0.983 -5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.682 1.892 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.461 -0.122 -8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.781 0.918 -6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.569 -1.096 -9.084 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.726 -0.578 -7.980 1.00 0.00 H new ATOM 536 N GLN A 36 -4.219 4.800 -4.611 1.00 0.00 N ATOM 537 CA GLN A 36 -3.035 5.705 -4.395 1.00 0.00 C ATOM 538 C GLN A 36 -2.511 5.565 -2.941 1.00 0.00 C ATOM 539 O GLN A 36 -2.912 6.303 -2.065 1.00 0.00 O ATOM 540 CB GLN A 36 -3.563 7.128 -4.623 1.00 0.00 C ATOM 541 CG GLN A 36 -2.692 7.812 -5.595 1.00 0.00 C ATOM 542 CD GLN A 36 -1.364 8.250 -4.922 1.00 0.00 C ATOM 543 OE1 GLN A 36 -0.825 7.508 -4.124 1.00 0.00 O ATOM 544 NE2 GLN A 36 -0.795 9.420 -5.196 1.00 0.00 N ATOM 0 H GLN A 36 -5.037 5.023 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.211 5.460 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.588 7.095 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.582 7.678 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.480 7.147 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.205 8.684 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.232 10.056 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.079 9.682 -4.739 1.00 0.00 H new ATOM 553 N LEU A 37 -1.609 4.644 -2.678 1.00 0.00 N ATOM 554 CA LEU A 37 -1.059 4.485 -1.305 1.00 0.00 C ATOM 555 C LEU A 37 0.397 4.982 -1.305 1.00 0.00 C ATOM 556 O LEU A 37 1.169 4.631 -2.178 1.00 0.00 O ATOM 557 CB LEU A 37 -1.062 2.963 -1.010 1.00 0.00 C ATOM 558 CG LEU A 37 -2.096 2.207 -1.847 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.938 0.698 -1.611 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.514 2.625 -1.449 1.00 0.00 C ATOM 0 H LEU A 37 -1.232 3.994 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.638 5.041 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.071 2.556 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.267 2.801 0.048 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.934 2.443 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.674 0.158 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.935 0.387 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.093 0.477 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.238 2.078 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.677 2.400 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.638 3.695 -1.615 1.00 0.00 H new ATOM 572 N GLU A 38 0.795 5.776 -0.347 1.00 0.00 N ATOM 573 CA GLU A 38 2.209 6.257 -0.318 1.00 0.00 C ATOM 574 C GLU A 38 2.658 6.242 1.106 1.00 0.00 C ATOM 575 O GLU A 38 2.001 6.719 1.996 1.00 0.00 O ATOM 576 CB GLU A 38 2.187 7.681 -0.901 1.00 0.00 C ATOM 577 CG GLU A 38 1.171 8.539 -0.141 1.00 0.00 C ATOM 578 CD GLU A 38 0.156 9.118 -1.128 1.00 0.00 C ATOM 579 OE1 GLU A 38 0.578 9.580 -2.176 1.00 0.00 O ATOM 580 OE2 GLU A 38 -1.023 9.090 -0.821 1.00 0.00 O ATOM 0 H GLU A 38 0.205 6.112 0.415 1.00 0.00 H new ATOM 0 HA GLU A 38 2.896 5.639 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.179 8.128 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.928 7.646 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.661 7.937 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.681 9.344 0.387 1.00 0.00 H new ATOM 587 N ALA A 39 3.747 5.617 1.320 1.00 0.00 N ATOM 588 CA ALA A 39 4.231 5.468 2.732 1.00 0.00 C ATOM 589 C ALA A 39 5.745 5.571 2.863 1.00 0.00 C ATOM 590 O ALA A 39 6.507 5.250 1.977 1.00 0.00 O ATOM 591 CB ALA A 39 3.787 4.055 3.121 1.00 0.00 C ATOM 0 H ALA A 39 4.338 5.197 0.603 1.00 0.00 H new ATOM 0 HA ALA A 39 3.831 6.261 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.096 3.846 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.702 3.981 3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.247 3.331 2.448 1.00 0.00 H new ATOM 597 N VAL A 40 6.142 5.994 4.020 1.00 0.00 N ATOM 598 CA VAL A 40 7.578 6.127 4.376 1.00 0.00 C ATOM 599 C VAL A 40 7.926 5.062 5.420 1.00 0.00 C ATOM 600 O VAL A 40 7.143 4.764 6.321 1.00 0.00 O ATOM 601 CB VAL A 40 7.802 7.531 4.906 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.289 8.433 3.770 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.508 8.081 5.462 1.00 0.00 C ATOM 0 H VAL A 40 5.504 6.266 4.768 1.00 0.00 H new ATOM 0 HA VAL A 40 8.224 5.974 3.512 1.00 0.00 H new ATOM 0 HB VAL A 40 8.551 7.500 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.450 9.442 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.225 8.042 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.539 8.459 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.674 9.089 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.756 8.109 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.159 7.441 6.273 1.00 0.00 H new ATOM 613 N PHE A 41 9.103 4.480 5.260 1.00 0.00 N ATOM 614 CA PHE A 41 9.601 3.404 6.140 1.00 0.00 C ATOM 615 C PHE A 41 11.134 3.386 6.046 1.00 0.00 C ATOM 616 O PHE A 41 11.696 3.264 4.971 1.00 0.00 O ATOM 617 CB PHE A 41 9.066 2.083 5.547 1.00 0.00 C ATOM 618 CG PHE A 41 9.073 2.144 4.028 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.256 1.884 3.315 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.893 2.437 3.331 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.258 1.924 1.915 1.00 0.00 C ATOM 622 CE2 PHE A 41 7.897 2.472 1.932 1.00 0.00 C ATOM 623 CZ PHE A 41 9.079 2.217 1.224 1.00 0.00 C ATOM 0 H PHE A 41 9.753 4.733 4.516 1.00 0.00 H new ATOM 0 HA PHE A 41 9.289 3.542 7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.680 1.249 5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.053 1.900 5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.166 1.653 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.981 2.636 3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.170 1.729 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.986 2.696 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.079 2.247 0.144 1.00 0.00 H new ATOM 633 N GLU A 42 11.819 3.502 7.130 1.00 0.00 N ATOM 634 CA GLU A 42 13.315 3.440 7.070 1.00 0.00 C ATOM 635 C GLU A 42 13.723 2.026 6.731 1.00 0.00 C ATOM 636 O GLU A 42 13.024 1.064 6.976 1.00 0.00 O ATOM 637 CB GLU A 42 13.844 3.778 8.441 1.00 0.00 C ATOM 638 CG GLU A 42 15.260 4.326 8.267 1.00 0.00 C ATOM 639 CD GLU A 42 15.689 5.067 9.535 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.008 6.009 9.907 1.00 0.00 O ATOM 641 OE2 GLU A 42 16.692 4.681 10.113 1.00 0.00 O ATOM 0 H GLU A 42 11.424 3.637 8.061 1.00 0.00 H new ATOM 0 HA GLU A 42 13.704 4.132 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.205 4.515 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.851 2.893 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.953 3.510 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.296 5.000 7.411 1.00 0.00 H new ATOM 648 N ALA A 43 14.862 1.925 6.189 1.00 0.00 N ATOM 649 CA ALA A 43 15.427 0.592 5.808 1.00 0.00 C ATOM 650 C ALA A 43 16.242 0.053 6.957 1.00 0.00 C ATOM 651 O ALA A 43 17.040 0.756 7.544 1.00 0.00 O ATOM 652 CB ALA A 43 16.324 0.868 4.594 1.00 0.00 C ATOM 0 H ALA A 43 15.466 2.718 5.975 1.00 0.00 H new ATOM 0 HA ALA A 43 14.656 -0.143 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.776 -0.065 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.726 1.294 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.109 1.571 4.874 1.00 0.00 H new ATOM 658 N ASN A 44 16.071 -1.196 7.283 1.00 0.00 N ATOM 659 CA ASN A 44 16.871 -1.733 8.379 1.00 0.00 C ATOM 660 C ASN A 44 17.828 -2.793 7.968 1.00 0.00 C ATOM 661 O ASN A 44 18.000 -3.847 8.547 1.00 0.00 O ATOM 662 CB ASN A 44 16.009 -2.079 9.594 1.00 0.00 C ATOM 663 CG ASN A 44 14.657 -2.731 9.207 1.00 0.00 C ATOM 664 OD1 ASN A 44 13.724 -2.658 9.982 1.00 0.00 O ATOM 665 ND2 ASN A 44 14.483 -3.370 8.064 1.00 0.00 N ATOM 0 H ASN A 44 15.422 -1.846 6.840 1.00 0.00 H new ATOM 0 HA ASN A 44 17.529 -0.929 8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.561 -2.758 10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.818 -1.172 10.168 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.579 -3.790 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.253 -3.443 7.399 1.00 0.00 H new ATOM 672 N GLN A 45 18.511 -2.378 6.990 1.00 0.00 N ATOM 673 CA GLN A 45 19.615 -3.102 6.394 1.00 0.00 C ATOM 674 C GLN A 45 20.065 -2.539 5.065 1.00 0.00 C ATOM 675 O GLN A 45 19.850 -1.383 4.727 1.00 0.00 O ATOM 676 CB GLN A 45 19.109 -4.472 6.156 1.00 0.00 C ATOM 677 CG GLN A 45 17.728 -4.359 5.546 1.00 0.00 C ATOM 678 CD GLN A 45 16.954 -5.675 5.751 1.00 0.00 C ATOM 679 OE1 GLN A 45 17.079 -6.297 6.788 1.00 0.00 O ATOM 680 NE2 GLN A 45 16.156 -6.135 4.817 1.00 0.00 N ATOM 0 H GLN A 45 18.331 -1.482 6.538 1.00 0.00 H new ATOM 0 HA GLN A 45 20.474 -3.045 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.778 -5.015 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.069 -5.031 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.185 -3.533 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.808 -4.136 4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.044 -5.621 3.943 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.648 -7.007 4.965 1.00 0.00 H new ATOM 689 N ASN A 46 20.754 -3.346 4.337 1.00 0.00 N ATOM 690 CA ASN A 46 21.297 -2.948 3.031 1.00 0.00 C ATOM 691 C ASN A 46 20.562 -3.681 1.959 1.00 0.00 C ATOM 692 O ASN A 46 20.006 -4.743 2.155 1.00 0.00 O ATOM 693 CB ASN A 46 22.687 -3.433 3.103 1.00 0.00 C ATOM 694 CG ASN A 46 23.479 -2.980 1.876 1.00 0.00 C ATOM 695 OD1 ASN A 46 24.092 -1.931 1.884 1.00 0.00 O ATOM 696 ND2 ASN A 46 23.492 -3.735 0.811 1.00 0.00 N ATOM 0 H ASN A 46 20.972 -4.306 4.606 1.00 0.00 H new ATOM 0 HA ASN A 46 21.218 -1.882 2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.163 -3.057 4.009 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.695 -4.521 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.017 -3.444 -0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.978 -4.616 0.804 1.00 0.00 H new ATOM 703 N THR A 47 20.536 -3.100 0.847 1.00 0.00 N ATOM 704 CA THR A 47 19.786 -3.742 -0.286 1.00 0.00 C ATOM 705 C THR A 47 19.978 -3.012 -1.607 1.00 0.00 C ATOM 706 O THR A 47 20.280 -1.847 -1.625 1.00 0.00 O ATOM 707 CB THR A 47 18.325 -3.639 0.180 1.00 0.00 C ATOM 708 OG1 THR A 47 17.451 -3.659 -0.940 1.00 0.00 O ATOM 709 CG2 THR A 47 18.083 -2.334 0.955 1.00 0.00 C ATOM 0 H THR A 47 20.987 -2.210 0.633 1.00 0.00 H new ATOM 0 HA THR A 47 20.126 -4.759 -0.483 1.00 0.00 H new ATOM 0 HB THR A 47 18.128 -4.491 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.523 -3.595 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.041 -2.287 1.273 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.731 -2.305 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.305 -1.482 0.312 1.00 0.00 H new ATOM 717 N LYS A 48 19.785 -3.670 -2.723 1.00 0.00 N ATOM 718 CA LYS A 48 19.939 -2.942 -4.038 1.00 0.00 C ATOM 719 C LYS A 48 18.586 -2.805 -4.772 1.00 0.00 C ATOM 720 O LYS A 48 18.544 -2.325 -5.886 1.00 0.00 O ATOM 721 CB LYS A 48 20.893 -3.773 -4.874 1.00 0.00 C ATOM 722 CG LYS A 48 22.189 -3.998 -4.098 1.00 0.00 C ATOM 723 CD LYS A 48 22.417 -5.499 -3.897 1.00 0.00 C ATOM 724 CE LYS A 48 22.906 -6.122 -5.207 1.00 0.00 C ATOM 725 NZ LYS A 48 24.389 -6.171 -5.078 1.00 0.00 N ATOM 0 H LYS A 48 19.533 -4.656 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 48 20.313 -1.932 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.435 -4.730 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.104 -3.266 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.029 -3.562 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.138 -3.496 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.151 -5.664 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.492 -5.978 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.489 -7.119 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.604 -5.523 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.799 -6.587 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.758 -5.207 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.647 -6.753 -4.256 1.00 0.00 H new ATOM 739 N THR A 49 17.480 -3.199 -4.166 1.00 0.00 N ATOM 740 CA THR A 49 16.163 -3.065 -4.846 1.00 0.00 C ATOM 741 C THR A 49 15.021 -3.301 -3.880 1.00 0.00 C ATOM 742 O THR A 49 15.118 -4.062 -2.939 1.00 0.00 O ATOM 743 CB THR A 49 16.128 -4.076 -5.952 1.00 0.00 C ATOM 744 OG1 THR A 49 16.921 -5.208 -5.622 1.00 0.00 O ATOM 745 CG2 THR A 49 16.653 -3.391 -7.198 1.00 0.00 C ATOM 0 H THR A 49 17.444 -3.606 -3.231 1.00 0.00 H new ATOM 0 HA THR A 49 16.045 -2.055 -5.238 1.00 0.00 H new ATOM 0 HB THR A 49 15.112 -4.437 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.885 -5.858 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.645 -4.094 -8.031 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.020 -2.537 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.673 -3.049 -7.023 1.00 0.00 H new ATOM 753 N ALA A 50 13.936 -2.648 -4.128 1.00 0.00 N ATOM 754 CA ALA A 50 12.741 -2.817 -3.242 1.00 0.00 C ATOM 755 C ALA A 50 11.462 -2.824 -4.056 1.00 0.00 C ATOM 756 O ALA A 50 10.937 -1.810 -4.469 1.00 0.00 O ATOM 757 CB ALA A 50 12.763 -1.647 -2.253 1.00 0.00 C ATOM 0 H ALA A 50 13.812 -1.999 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 50 12.775 -3.770 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.908 -1.723 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.685 -1.678 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.711 -0.706 -2.801 1.00 0.00 H new ATOM 763 N LYS A 51 10.971 -3.997 -4.252 1.00 0.00 N ATOM 764 CA LYS A 51 9.694 -4.197 -5.019 1.00 0.00 C ATOM 765 C LYS A 51 8.483 -3.755 -4.191 1.00 0.00 C ATOM 766 O LYS A 51 8.596 -3.335 -3.047 1.00 0.00 O ATOM 767 CB LYS A 51 9.593 -5.699 -5.320 1.00 0.00 C ATOM 768 CG LYS A 51 10.964 -6.250 -5.721 1.00 0.00 C ATOM 769 CD LYS A 51 11.586 -5.341 -6.779 1.00 0.00 C ATOM 770 CE LYS A 51 13.005 -5.817 -7.096 1.00 0.00 C ATOM 771 NZ LYS A 51 12.826 -7.119 -7.799 1.00 0.00 N ATOM 0 H LYS A 51 11.398 -4.858 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 51 9.701 -3.602 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.222 -6.229 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.875 -5.869 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.614 -6.309 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.861 -7.263 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.978 -5.350 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.609 -4.312 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.531 -5.098 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.594 -5.937 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.673 -7.327 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.683 -7.875 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.996 -7.065 -8.424 1.00 0.00 H new ATOM 785 N ILE A 52 7.324 -3.925 -4.762 1.00 0.00 N ATOM 786 CA ILE A 52 6.036 -3.552 -4.068 1.00 0.00 C ATOM 787 C ILE A 52 4.966 -4.608 -4.351 1.00 0.00 C ATOM 788 O ILE A 52 4.818 -5.054 -5.470 1.00 0.00 O ATOM 789 CB ILE A 52 5.550 -2.201 -4.659 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.622 -1.164 -4.476 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.298 -1.760 -3.910 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.110 0.231 -4.904 1.00 0.00 C ATOM 0 H ILE A 52 7.202 -4.313 -5.697 1.00 0.00 H new ATOM 0 HA ILE A 52 6.203 -3.482 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 52 5.331 -2.318 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.935 -1.138 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.499 -1.432 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.946 -0.811 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.520 -2.515 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.531 -1.638 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.901 0.968 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.820 0.206 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.248 0.504 -4.296 1.00 0.00 H new ATOM 804 N GLU A 53 4.208 -5.021 -3.362 1.00 0.00 N ATOM 805 CA GLU A 53 3.171 -6.037 -3.629 1.00 0.00 C ATOM 806 C GLU A 53 1.917 -5.755 -2.850 1.00 0.00 C ATOM 807 O GLU A 53 1.845 -5.860 -1.635 1.00 0.00 O ATOM 808 CB GLU A 53 3.796 -7.357 -3.248 1.00 0.00 C ATOM 809 CG GLU A 53 2.740 -8.463 -3.270 1.00 0.00 C ATOM 810 CD GLU A 53 3.430 -9.823 -3.397 1.00 0.00 C ATOM 811 OE1 GLU A 53 4.573 -9.927 -2.983 1.00 0.00 O ATOM 812 OE2 GLU A 53 2.804 -10.736 -3.909 1.00 0.00 O ATOM 0 H GLU A 53 4.270 -4.696 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 53 2.861 -6.039 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.603 -7.600 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.239 -7.286 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.143 -8.429 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.056 -8.311 -4.105 1.00 0.00 H new ATOM 819 N ILE A 54 0.936 -5.392 -3.599 1.00 0.00 N ATOM 820 CA ILE A 54 -0.414 -5.069 -3.050 1.00 0.00 C ATOM 821 C ILE A 54 -1.262 -6.322 -3.015 1.00 0.00 C ATOM 822 O ILE A 54 -1.470 -6.989 -4.008 1.00 0.00 O ATOM 823 CB ILE A 54 -1.024 -4.102 -4.035 1.00 0.00 C ATOM 824 CG1 ILE A 54 -2.424 -3.801 -3.537 1.00 0.00 C ATOM 825 CG2 ILE A 54 -1.088 -4.740 -5.430 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.530 -2.326 -3.152 1.00 0.00 C ATOM 0 H ILE A 54 1.005 -5.299 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.353 -4.661 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.429 -3.192 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.154 -4.038 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.657 -4.429 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.530 -4.034 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.081 -4.998 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.699 -5.642 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.538 -2.115 -2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.811 -2.103 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.316 -1.706 -4.023 1.00 0.00 H new ATOM 838 N LYS A 55 -1.800 -6.599 -1.887 1.00 0.00 N ATOM 839 CA LYS A 55 -2.714 -7.776 -1.756 1.00 0.00 C ATOM 840 C LYS A 55 -4.049 -7.206 -1.295 1.00 0.00 C ATOM 841 O LYS A 55 -4.221 -6.867 -0.141 1.00 0.00 O ATOM 842 CB LYS A 55 -2.106 -8.744 -0.716 1.00 0.00 C ATOM 843 CG LYS A 55 -2.967 -10.010 -0.639 1.00 0.00 C ATOM 844 CD LYS A 55 -2.071 -11.244 -0.772 1.00 0.00 C ATOM 845 CE LYS A 55 -0.866 -11.106 0.164 1.00 0.00 C ATOM 846 NZ LYS A 55 0.275 -10.724 -0.718 1.00 0.00 N ATOM 0 H LYS A 55 -1.656 -6.066 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.847 -8.334 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.084 -9.001 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.058 -8.263 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.506 -10.039 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.715 -10.003 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.635 -12.144 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.733 -11.352 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.045 -10.348 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.664 -12.041 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.015 -11.453 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.058 -10.641 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.664 -9.811 -0.406 1.00 0.00 H new ATOM 860 N ALA A 56 -4.973 -7.009 -2.200 1.00 0.00 N ATOM 861 CA ALA A 56 -6.242 -6.364 -1.798 1.00 0.00 C ATOM 862 C ALA A 56 -7.444 -7.282 -1.921 1.00 0.00 C ATOM 863 O ALA A 56 -7.657 -7.928 -2.927 1.00 0.00 O ATOM 864 CB ALA A 56 -6.354 -5.186 -2.761 1.00 0.00 C ATOM 0 H ALA A 56 -4.899 -7.265 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.234 -6.077 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.268 -4.631 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.494 -4.529 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.380 -5.555 -3.786 1.00 0.00 H new ATOM 870 N SER A 57 -8.257 -7.296 -0.900 1.00 0.00 N ATOM 871 CA SER A 57 -9.499 -8.126 -0.944 1.00 0.00 C ATOM 872 C SER A 57 -10.662 -7.158 -1.145 1.00 0.00 C ATOM 873 O SER A 57 -11.069 -6.492 -0.229 1.00 0.00 O ATOM 874 CB SER A 57 -9.571 -8.845 0.420 1.00 0.00 C ATOM 875 OG SER A 57 -10.489 -8.167 1.266 1.00 0.00 O ATOM 0 H SER A 57 -8.117 -6.770 -0.037 1.00 0.00 H new ATOM 0 HA SER A 57 -9.522 -8.867 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.884 -9.880 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.584 -8.870 0.882 1.00 0.00 H new ATOM 0 HG SER A 57 -10.506 -7.215 1.034 1.00 0.00 H new ATOM 881 N ILE A 58 -11.152 -7.032 -2.353 1.00 0.00 N ATOM 882 CA ILE A 58 -12.261 -6.036 -2.628 1.00 0.00 C ATOM 883 C ILE A 58 -13.577 -6.764 -2.964 1.00 0.00 C ATOM 884 O ILE A 58 -13.795 -7.271 -4.046 1.00 0.00 O ATOM 885 CB ILE A 58 -11.740 -5.152 -3.813 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.189 -5.738 -5.163 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.215 -5.079 -3.766 1.00 0.00 C ATOM 888 CD1 ILE A 58 -11.351 -5.140 -6.298 1.00 0.00 C ATOM 0 H ILE A 58 -10.841 -7.568 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.491 -5.417 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.158 -4.150 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.081 -6.823 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.245 -5.525 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.855 -4.464 -4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.901 -4.638 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.800 -6.083 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.675 -5.560 -7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.482 -4.058 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.299 -5.376 -6.137 1.00 0.00 H new ATOM 900 N ASP A 59 -14.447 -6.797 -2.004 1.00 0.00 N ATOM 901 CA ASP A 59 -15.803 -7.461 -2.171 1.00 0.00 C ATOM 902 C ASP A 59 -15.751 -8.704 -3.072 1.00 0.00 C ATOM 903 O ASP A 59 -16.369 -8.754 -4.116 1.00 0.00 O ATOM 904 CB ASP A 59 -16.742 -6.412 -2.795 1.00 0.00 C ATOM 905 CG ASP A 59 -16.164 -4.998 -2.652 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.407 -4.380 -1.628 1.00 0.00 O ATOM 907 OD2 ASP A 59 -15.491 -4.559 -3.570 1.00 0.00 O ATOM 0 H ASP A 59 -14.291 -6.388 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.153 -7.802 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.897 -6.640 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.718 -6.460 -2.312 1.00 0.00 H new ATOM 912 N GLY A 60 -15.063 -9.722 -2.643 1.00 0.00 N ATOM 913 CA GLY A 60 -15.012 -10.992 -3.419 1.00 0.00 C ATOM 914 C GLY A 60 -14.030 -10.905 -4.581 1.00 0.00 C ATOM 915 O GLY A 60 -13.653 -11.905 -5.158 1.00 0.00 O ATOM 0 H GLY A 60 -14.526 -9.729 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.723 -11.810 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.006 -11.226 -3.800 1.00 0.00 H new ATOM 919 N LEU A 61 -13.637 -9.732 -4.955 1.00 0.00 N ATOM 920 CA LEU A 61 -12.728 -9.586 -6.085 1.00 0.00 C ATOM 921 C LEU A 61 -11.330 -9.174 -5.638 1.00 0.00 C ATOM 922 O LEU A 61 -10.801 -8.161 -6.052 1.00 0.00 O ATOM 923 CB LEU A 61 -13.369 -8.500 -6.838 1.00 0.00 C ATOM 924 CG LEU A 61 -13.066 -8.730 -8.307 1.00 0.00 C ATOM 925 CD1 LEU A 61 -14.316 -8.469 -9.148 1.00 0.00 C ATOM 926 CD2 LEU A 61 -11.935 -7.801 -8.752 1.00 0.00 C ATOM 0 H LEU A 61 -13.918 -8.858 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.583 -10.508 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.445 -8.494 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.989 -7.531 -6.514 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.756 -9.765 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.088 -8.637 -10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.112 -9.146 -8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.641 -7.438 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.720 -7.969 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.236 -6.764 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.042 -8.007 -8.163 1.00 0.00 H new ATOM 938 N GLU A 62 -10.723 -9.958 -4.799 1.00 0.00 N ATOM 939 CA GLU A 62 -9.402 -9.678 -4.301 1.00 0.00 C ATOM 940 C GLU A 62 -8.390 -9.585 -5.439 1.00 0.00 C ATOM 941 O GLU A 62 -8.116 -10.540 -6.138 1.00 0.00 O ATOM 942 CB GLU A 62 -9.274 -10.913 -3.422 1.00 0.00 C ATOM 943 CG GLU A 62 -8.125 -11.806 -3.872 1.00 0.00 C ATOM 944 CD GLU A 62 -7.576 -12.589 -2.678 1.00 0.00 C ATOM 945 OE1 GLU A 62 -8.151 -12.481 -1.609 1.00 0.00 O ATOM 946 OE2 GLU A 62 -6.588 -13.285 -2.856 1.00 0.00 O ATOM 0 H GLU A 62 -11.131 -10.819 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.232 -8.732 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.115 -10.609 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.206 -11.477 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.469 -12.495 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.335 -11.201 -4.316 1.00 0.00 H new ATOM 953 N VAL A 63 -7.832 -8.425 -5.608 1.00 0.00 N ATOM 954 CA VAL A 63 -6.824 -8.228 -6.678 1.00 0.00 C ATOM 955 C VAL A 63 -5.472 -8.740 -6.247 1.00 0.00 C ATOM 956 O VAL A 63 -5.119 -8.754 -5.084 1.00 0.00 O ATOM 957 CB VAL A 63 -6.747 -6.741 -6.936 1.00 0.00 C ATOM 958 CG1 VAL A 63 -8.142 -6.213 -7.264 1.00 0.00 C ATOM 959 CG2 VAL A 63 -6.201 -6.031 -5.696 1.00 0.00 C ATOM 0 H VAL A 63 -8.033 -7.598 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.111 -8.777 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.081 -6.550 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.090 -5.140 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.523 -6.718 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.810 -6.403 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.147 -4.959 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.862 -6.217 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.205 -6.410 -5.469 1.00 0.00 H new ATOM 969 N ASP A 64 -4.757 -9.232 -7.188 1.00 0.00 N ATOM 970 CA ASP A 64 -3.462 -9.841 -6.921 1.00 0.00 C ATOM 971 C ASP A 64 -2.447 -9.435 -7.964 1.00 0.00 C ATOM 972 O ASP A 64 -1.858 -10.240 -8.659 1.00 0.00 O ATOM 973 CB ASP A 64 -3.879 -11.227 -7.152 1.00 0.00 C ATOM 974 CG ASP A 64 -2.920 -12.216 -6.485 1.00 0.00 C ATOM 975 OD1 ASP A 64 -1.827 -12.388 -6.998 1.00 0.00 O ATOM 976 OD2 ASP A 64 -3.294 -12.783 -5.471 1.00 0.00 O ATOM 0 H ASP A 64 -5.031 -9.236 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.996 -9.601 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.886 -11.375 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.919 -11.423 -8.223 1.00 0.00 H new ATOM 981 N VAL A 65 -2.253 -8.184 -8.047 1.00 0.00 N ATOM 982 CA VAL A 65 -1.266 -7.626 -9.026 1.00 0.00 C ATOM 983 C VAL A 65 -0.954 -6.166 -8.683 1.00 0.00 C ATOM 984 O VAL A 65 -1.779 -5.480 -8.114 1.00 0.00 O ATOM 985 CB VAL A 65 -1.941 -7.740 -10.398 1.00 0.00 C ATOM 986 CG1 VAL A 65 -2.963 -6.614 -10.571 1.00 0.00 C ATOM 987 CG2 VAL A 65 -0.878 -7.636 -11.497 1.00 0.00 C ATOM 0 H VAL A 65 -2.733 -7.487 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.317 -8.162 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.451 -8.701 -10.469 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.439 -6.701 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.721 -6.687 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.459 -5.650 -10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.355 -7.717 -12.474 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.368 -6.676 -11.421 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.153 -8.442 -11.380 1.00 0.00 H new ATOM 997 N PRO A 66 0.232 -5.731 -9.033 1.00 0.00 N ATOM 998 CA PRO A 66 0.636 -4.348 -8.747 1.00 0.00 C ATOM 999 C PRO A 66 0.228 -3.409 -9.846 1.00 0.00 C ATOM 1000 O PRO A 66 0.313 -3.677 -11.028 1.00 0.00 O ATOM 1001 CB PRO A 66 2.147 -4.426 -8.641 1.00 0.00 C ATOM 1002 CG PRO A 66 2.547 -5.634 -9.444 1.00 0.00 C ATOM 1003 CD PRO A 66 1.306 -6.462 -9.714 1.00 0.00 C ATOM 0 HA PRO A 66 0.162 -3.961 -7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.615 -3.523 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.463 -4.524 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.011 -5.329 -10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.285 -6.223 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.112 -6.552 -10.783 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.409 -7.474 -9.323 1.00 0.00 H new ATOM 1011 N GLY A 67 -0.208 -2.299 -9.403 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.659 -1.209 -10.327 1.00 0.00 C ATOM 1013 C GLY A 67 0.399 -0.098 -10.347 1.00 0.00 C ATOM 1014 O GLY A 67 0.100 1.056 -10.165 1.00 0.00 O ATOM 0 H GLY A 67 -0.283 -2.070 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.807 -1.605 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.618 -0.809 -9.997 1.00 0.00 H new ATOM 1018 N ILE A 68 1.655 -0.422 -10.522 1.00 0.00 N ATOM 1019 CA ILE A 68 2.678 0.645 -10.502 1.00 0.00 C ATOM 1020 C ILE A 68 4.061 0.002 -10.720 1.00 0.00 C ATOM 1021 O ILE A 68 4.158 -1.174 -11.010 1.00 0.00 O ATOM 1022 CB ILE A 68 2.495 1.217 -9.088 1.00 0.00 C ATOM 1023 CG1 ILE A 68 2.014 2.685 -9.132 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.774 1.097 -8.255 1.00 0.00 C ATOM 1025 CD1 ILE A 68 2.616 3.450 -10.310 1.00 0.00 C ATOM 0 H ILE A 68 2.005 -1.368 -10.675 1.00 0.00 H new ATOM 0 HA ILE A 68 2.591 1.414 -11.270 1.00 0.00 H new ATOM 0 HB ILE A 68 1.724 0.619 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.927 2.708 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.284 3.183 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.602 1.513 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.053 0.047 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.579 1.646 -8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.251 4.477 -10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.703 3.451 -10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.324 2.969 -11.244 1.00 0.00 H new ATOM 1037 N ASP A 69 5.125 0.729 -10.520 1.00 0.00 N ATOM 1038 CA ASP A 69 6.481 0.093 -10.653 1.00 0.00 C ATOM 1039 C ASP A 69 7.085 -0.030 -9.277 1.00 0.00 C ATOM 1040 O ASP A 69 7.793 0.832 -8.796 1.00 0.00 O ATOM 1041 CB ASP A 69 7.362 0.948 -11.529 1.00 0.00 C ATOM 1042 CG ASP A 69 8.742 0.291 -11.642 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.276 -0.103 -10.617 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.243 0.197 -12.750 1.00 0.00 O ATOM 0 H ASP A 69 5.124 1.719 -10.274 1.00 0.00 H new ATOM 0 HA ASP A 69 6.391 -0.893 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.916 1.059 -12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.455 1.949 -11.107 1.00 0.00 H new ATOM 1049 N PRO A 70 6.791 -1.157 -8.725 1.00 0.00 N ATOM 1050 CA PRO A 70 7.282 -1.586 -7.388 1.00 0.00 C ATOM 1051 C PRO A 70 8.786 -1.418 -7.154 1.00 0.00 C ATOM 1052 O PRO A 70 9.267 -1.657 -6.068 1.00 0.00 O ATOM 1053 CB PRO A 70 6.929 -3.061 -7.403 1.00 0.00 C ATOM 1054 CG PRO A 70 6.750 -3.351 -8.873 1.00 0.00 C ATOM 1055 CD PRO A 70 5.960 -2.205 -9.297 1.00 0.00 C ATOM 0 HA PRO A 70 6.842 -0.983 -6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.720 -3.670 -6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.020 -3.264 -6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.703 -3.410 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.231 -4.294 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.868 -2.130 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.948 -2.213 -8.891 1.00 0.00 H new ATOM 1063 N ASN A 71 9.540 -1.027 -8.124 1.00 0.00 N ATOM 1064 CA ASN A 71 10.994 -0.887 -7.885 1.00 0.00 C ATOM 1065 C ASN A 71 11.362 0.595 -7.836 1.00 0.00 C ATOM 1066 O ASN A 71 11.642 1.209 -8.847 1.00 0.00 O ATOM 1067 CB ASN A 71 11.671 -1.572 -9.063 1.00 0.00 C ATOM 1068 CG ASN A 71 10.894 -2.829 -9.478 1.00 0.00 C ATOM 1069 OD1 ASN A 71 11.279 -3.928 -9.138 1.00 0.00 O ATOM 1070 ND2 ASN A 71 9.817 -2.717 -10.214 1.00 0.00 N ATOM 0 H ASN A 71 9.221 -0.799 -9.066 1.00 0.00 H new ATOM 0 HA ASN A 71 11.304 -1.332 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.733 -0.882 -9.905 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.693 -1.842 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.305 -3.552 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.490 -1.795 -10.502 1.00 0.00 H new ATOM 1077 N ALA A 72 11.375 1.178 -6.667 1.00 0.00 N ATOM 1078 CA ALA A 72 11.734 2.617 -6.555 1.00 0.00 C ATOM 1079 C ALA A 72 13.248 2.768 -6.647 1.00 0.00 C ATOM 1080 O ALA A 72 13.787 3.825 -6.388 1.00 0.00 O ATOM 1081 CB ALA A 72 11.238 3.052 -5.176 1.00 0.00 C ATOM 0 H ALA A 72 11.152 0.717 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 72 11.292 3.221 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.469 4.106 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.160 2.904 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.731 2.457 -4.408 1.00 0.00 H new ATOM 1087 N CYS A 73 13.952 1.721 -7.007 1.00 0.00 N ATOM 1088 CA CYS A 73 15.407 1.829 -7.097 1.00 0.00 C ATOM 1089 C CYS A 73 15.768 2.532 -8.385 1.00 0.00 C ATOM 1090 O CYS A 73 16.792 3.177 -8.493 1.00 0.00 O ATOM 1091 CB CYS A 73 15.845 0.387 -7.086 1.00 0.00 C ATOM 1092 SG CYS A 73 17.533 0.225 -7.725 1.00 0.00 S ATOM 0 H CYS A 73 13.565 0.806 -7.238 1.00 0.00 H new ATOM 0 HA CYS A 73 15.880 2.404 -6.301 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.796 -0.005 -6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.163 -0.210 -7.691 1.00 0.00 H new ATOM 1097 N HIS A 74 14.902 2.464 -9.345 1.00 0.00 N ATOM 1098 CA HIS A 74 15.168 3.184 -10.589 1.00 0.00 C ATOM 1099 C HIS A 74 14.819 4.658 -10.389 1.00 0.00 C ATOM 1100 O HIS A 74 14.874 5.449 -11.309 1.00 0.00 O ATOM 1101 CB HIS A 74 14.348 2.580 -11.725 1.00 0.00 C ATOM 1102 CG HIS A 74 14.053 1.139 -11.463 1.00 0.00 C ATOM 1103 ND1 HIS A 74 14.938 0.357 -10.778 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.014 0.320 -11.823 1.00 0.00 C ATOM 1105 CE1 HIS A 74 14.440 -0.892 -10.737 1.00 0.00 C ATOM 1106 NE2 HIS A 74 13.263 -0.970 -11.364 1.00 0.00 N ATOM 0 H HIS A 74 14.027 1.941 -9.315 1.00 0.00 H new ATOM 0 HA HIS A 74 16.222 3.099 -10.853 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.415 3.132 -11.838 1.00 0.00 H new ATOM 0 HB3 HIS A 74 14.892 2.679 -12.664 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.139 0.628 -12.376 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.930 -1.727 -10.258 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.675 -1.795 -11.481 1.00 0.00 H new ATOM 1114 N TYR A 75 14.514 5.043 -9.170 1.00 0.00 N ATOM 1115 CA TYR A 75 14.219 6.449 -8.889 1.00 0.00 C ATOM 1116 C TYR A 75 14.982 6.908 -7.646 1.00 0.00 C ATOM 1117 O TYR A 75 14.910 8.062 -7.270 1.00 0.00 O ATOM 1118 CB TYR A 75 12.701 6.660 -8.693 1.00 0.00 C ATOM 1119 CG TYR A 75 11.838 5.533 -9.287 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.044 5.084 -10.605 1.00 0.00 C ATOM 1121 CD2 TYR A 75 10.779 4.976 -8.536 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.213 4.103 -11.159 1.00 0.00 C ATOM 1123 CE2 TYR A 75 9.962 3.985 -9.098 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.179 3.559 -10.406 1.00 0.00 C ATOM 1125 OH TYR A 75 9.366 2.604 -10.958 1.00 0.00 O ATOM 0 H TYR A 75 14.461 4.422 -8.363 1.00 0.00 H new ATOM 0 HA TYR A 75 14.541 7.046 -9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.490 6.744 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.413 7.606 -9.151 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.849 5.499 -11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.598 5.314 -7.526 1.00 0.00 H new ATOM 0 HE1 TYR A 75 11.376 3.768 -12.173 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.163 3.551 -8.515 1.00 0.00 H new ATOM 0 HH TYR A 75 9.364 2.700 -11.933 1.00 0.00 H new ATOM 1135 N MET A 76 15.737 6.044 -7.002 1.00 0.00 N ATOM 1136 CA MET A 76 16.481 6.510 -5.830 1.00 0.00 C ATOM 1137 C MET A 76 17.742 5.713 -5.550 1.00 0.00 C ATOM 1138 O MET A 76 17.781 4.499 -5.491 1.00 0.00 O ATOM 1139 CB MET A 76 15.530 6.523 -4.658 1.00 0.00 C ATOM 1140 CG MET A 76 15.393 5.147 -4.215 1.00 0.00 C ATOM 1141 SD MET A 76 13.666 4.776 -3.812 1.00 0.00 S ATOM 1142 CE MET A 76 13.948 3.201 -2.971 1.00 0.00 C ATOM 0 H MET A 76 15.856 5.061 -7.246 1.00 0.00 H new ATOM 0 HA MET A 76 16.852 7.517 -6.024 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.915 7.151 -3.855 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.563 6.934 -4.949 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.743 4.471 -4.995 1.00 0.00 H new ATOM 0 HG3 MET A 76 16.021 4.977 -3.340 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.028 2.879 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.254 2.450 -3.699 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.732 3.323 -2.224 1.00 0.00 H new ATOM 1152 N LYS A 77 18.765 6.475 -5.412 1.00 0.00 N ATOM 1153 CA LYS A 77 20.134 5.996 -5.161 1.00 0.00 C ATOM 1154 C LYS A 77 20.181 4.601 -4.616 1.00 0.00 C ATOM 1155 O LYS A 77 20.084 4.324 -3.440 1.00 0.00 O ATOM 1156 CB LYS A 77 20.778 7.002 -4.205 1.00 0.00 C ATOM 1157 CG LYS A 77 19.817 7.312 -3.057 1.00 0.00 C ATOM 1158 CD LYS A 77 20.338 6.668 -1.777 1.00 0.00 C ATOM 1159 CE LYS A 77 20.811 7.761 -0.814 1.00 0.00 C ATOM 1160 NZ LYS A 77 22.234 8.002 -1.180 1.00 0.00 N ATOM 0 H LYS A 77 18.702 7.492 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 77 20.683 5.936 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.711 6.598 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 77 21.028 7.918 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.726 8.390 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 77 18.821 6.934 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.553 6.072 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.160 5.990 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.216 8.668 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.718 7.441 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.631 8.740 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.777 7.123 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.290 8.312 -2.171 1.00 0.00 H new ATOM 1174 N CYS A 78 20.370 3.751 -5.538 1.00 0.00 N ATOM 1175 CA CYS A 78 20.493 2.312 -5.306 1.00 0.00 C ATOM 1176 C CYS A 78 21.985 1.934 -5.318 1.00 0.00 C ATOM 1177 O CYS A 78 22.733 2.484 -6.103 1.00 0.00 O ATOM 1178 CB CYS A 78 19.798 1.785 -6.516 1.00 0.00 C ATOM 1179 SG CYS A 78 18.717 0.399 -6.096 1.00 0.00 S ATOM 0 H CYS A 78 20.451 4.011 -6.521 1.00 0.00 H new ATOM 0 HA CYS A 78 20.089 1.941 -4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 78 19.212 2.580 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.536 1.465 -7.252 1.00 0.00 H new ATOM 1184 N PRO A 79 22.398 1.026 -4.469 1.00 0.00 N ATOM 1185 CA PRO A 79 21.495 0.354 -3.512 1.00 0.00 C ATOM 1186 C PRO A 79 21.195 1.217 -2.284 1.00 0.00 C ATOM 1187 O PRO A 79 21.809 2.234 -2.032 1.00 0.00 O ATOM 1188 CB PRO A 79 22.276 -0.888 -3.095 1.00 0.00 C ATOM 1189 CG PRO A 79 23.690 -0.597 -3.355 1.00 0.00 C ATOM 1190 CD PRO A 79 23.776 0.549 -4.332 1.00 0.00 C ATOM 0 HA PRO A 79 20.525 0.140 -3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.114 -1.113 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.949 -1.760 -3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.200 -0.341 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.189 -1.477 -3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.432 1.336 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 79 24.179 0.223 -5.291 1.00 0.00 H new ATOM 1198 N LEU A 80 20.231 0.780 -1.537 1.00 0.00 N ATOM 1199 CA LEU A 80 19.788 1.482 -0.305 1.00 0.00 C ATOM 1200 C LEU A 80 20.478 0.906 0.940 1.00 0.00 C ATOM 1201 O LEU A 80 20.499 -0.298 1.174 1.00 0.00 O ATOM 1202 CB LEU A 80 18.279 1.221 -0.290 1.00 0.00 C ATOM 1203 CG LEU A 80 17.600 2.079 -1.364 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.569 2.460 -2.505 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.436 1.294 -1.961 1.00 0.00 C ATOM 0 H LEU A 80 19.708 -0.072 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 80 20.036 2.543 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.080 0.165 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.868 1.457 0.692 1.00 0.00 H new ATOM 0 HG LEU A 80 17.259 2.998 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.043 3.067 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.406 3.028 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.943 1.554 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.946 1.896 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.810 0.373 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.720 1.052 -1.176 1.00 0.00 H new ATOM 1217 N VAL A 81 21.060 1.783 1.722 1.00 0.00 N ATOM 1218 CA VAL A 81 21.770 1.381 2.944 1.00 0.00 C ATOM 1219 C VAL A 81 20.985 1.723 4.199 1.00 0.00 C ATOM 1220 O VAL A 81 20.297 2.712 4.321 1.00 0.00 O ATOM 1221 CB VAL A 81 23.112 2.092 2.929 1.00 0.00 C ATOM 1222 CG1 VAL A 81 24.134 1.242 3.685 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.593 2.298 1.488 1.00 0.00 C ATOM 0 H VAL A 81 21.064 2.788 1.545 1.00 0.00 H new ATOM 0 HA VAL A 81 21.900 0.299 2.961 1.00 0.00 H new ATOM 0 HB VAL A 81 23.004 3.066 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 81 25.101 1.745 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.803 1.104 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.228 0.270 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.556 2.809 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.699 1.330 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.866 2.902 0.945 1.00 0.00 H new ATOM 1233 N LYS A 82 21.053 0.796 5.066 1.00 0.00 N ATOM 1234 CA LYS A 82 20.315 0.783 6.365 1.00 0.00 C ATOM 1235 C LYS A 82 20.312 2.071 7.156 1.00 0.00 C ATOM 1236 O LYS A 82 21.310 2.593 7.613 1.00 0.00 O ATOM 1237 CB LYS A 82 20.937 -0.353 7.143 1.00 0.00 C ATOM 1238 CG LYS A 82 20.099 -0.758 8.341 1.00 0.00 C ATOM 1239 CD LYS A 82 20.579 -0.127 9.537 1.00 0.00 C ATOM 1240 CE LYS A 82 21.700 -0.994 9.964 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.259 -0.392 11.209 1.00 0.00 N ATOM 0 H LYS A 82 21.634 -0.031 4.933 1.00 0.00 H new ATOM 0 HA LYS A 82 19.251 0.655 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.066 -1.213 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.931 -0.058 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.058 -0.482 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.127 -1.841 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.912 0.893 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.803 -0.071 10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.354 -2.011 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.462 -1.052 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.054 -0.971 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.593 0.572 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.520 -0.357 11.940 1.00 0.00 H new ATOM 1255 N GLY A 83 19.116 2.534 7.314 1.00 0.00 N ATOM 1256 CA GLY A 83 18.802 3.759 8.070 1.00 0.00 C ATOM 1257 C GLY A 83 18.202 4.747 7.118 1.00 0.00 C ATOM 1258 O GLY A 83 17.552 5.704 7.493 1.00 0.00 O ATOM 0 H GLY A 83 18.292 2.079 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.107 3.539 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.704 4.168 8.526 1.00 0.00 H new ATOM 1262 N GLN A 84 18.416 4.504 5.881 1.00 0.00 N ATOM 1263 CA GLN A 84 17.871 5.394 4.866 1.00 0.00 C ATOM 1264 C GLN A 84 16.393 5.245 4.751 1.00 0.00 C ATOM 1265 O GLN A 84 15.841 4.171 4.579 1.00 0.00 O ATOM 1266 CB GLN A 84 18.549 5.139 3.550 1.00 0.00 C ATOM 1267 CG GLN A 84 20.030 5.487 3.671 1.00 0.00 C ATOM 1268 CD GLN A 84 20.691 5.563 2.274 1.00 0.00 C ATOM 1269 OE1 GLN A 84 19.965 5.561 1.165 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 21.901 5.630 2.184 1.00 0.00 N flip ATOM 0 H GLN A 84 18.954 3.714 5.525 1.00 0.00 H new ATOM 0 HA GLN A 84 18.065 6.424 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.431 4.094 3.263 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.085 5.739 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.143 6.442 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.536 4.736 4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.476 5.633 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.342 5.684 1.266 1.00 0.00 H new ATOM 1279 N GLN A 85 15.769 6.348 4.837 1.00 0.00 N ATOM 1280 CA GLN A 85 14.286 6.374 4.708 1.00 0.00 C ATOM 1281 C GLN A 85 13.947 5.969 3.296 1.00 0.00 C ATOM 1282 O GLN A 85 14.651 6.271 2.356 1.00 0.00 O ATOM 1283 CB GLN A 85 13.815 7.795 4.989 1.00 0.00 C ATOM 1284 CG GLN A 85 13.777 8.047 6.502 1.00 0.00 C ATOM 1285 CD GLN A 85 14.308 9.464 6.809 1.00 0.00 C ATOM 1286 OE1 GLN A 85 14.343 10.398 5.871 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 14.699 9.734 7.927 1.00 0.00 N flip ATOM 0 H GLN A 85 16.208 7.255 4.993 1.00 0.00 H new ATOM 0 HA GLN A 85 13.800 5.694 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 85 14.484 8.510 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 85 12.824 7.950 4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.757 7.943 6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.381 7.302 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.678 9.025 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.048 10.670 8.133 1.00 0.00 H new ATOM 1296 N TYR A 86 12.882 5.278 3.155 1.00 0.00 N ATOM 1297 CA TYR A 86 12.463 4.809 1.830 1.00 0.00 C ATOM 1298 C TYR A 86 10.962 4.890 1.768 1.00 0.00 C ATOM 1299 O TYR A 86 10.253 4.391 2.621 1.00 0.00 O ATOM 1300 CB TYR A 86 12.946 3.365 1.745 1.00 0.00 C ATOM 1301 CG TYR A 86 14.449 3.405 1.634 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.040 4.331 0.766 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.261 2.549 2.388 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.411 4.406 0.647 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.644 2.627 2.262 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.222 3.555 1.393 1.00 0.00 C ATOM 1307 OH TYR A 86 18.592 3.619 1.269 1.00 0.00 O ATOM 0 H TYR A 86 12.264 5.009 3.920 1.00 0.00 H new ATOM 0 HA TYR A 86 12.867 5.395 1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.640 2.804 2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.509 2.863 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.416 4.993 0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.816 1.833 3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.856 5.125 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.274 1.967 2.839 1.00 0.00 H new ATOM 0 HH TYR A 86 18.863 4.546 1.103 1.00 0.00 H new ATOM 1317 N ASP A 87 10.481 5.550 0.784 1.00 0.00 N ATOM 1318 CA ASP A 87 9.018 5.714 0.662 1.00 0.00 C ATOM 1319 C ASP A 87 8.528 5.060 -0.609 1.00 0.00 C ATOM 1320 O ASP A 87 9.040 5.263 -1.692 1.00 0.00 O ATOM 1321 CB ASP A 87 8.751 7.231 0.642 1.00 0.00 C ATOM 1322 CG ASP A 87 9.795 7.921 -0.237 1.00 0.00 C ATOM 1323 OD1 ASP A 87 9.760 7.713 -1.438 1.00 0.00 O ATOM 1324 OD2 ASP A 87 10.610 8.649 0.306 1.00 0.00 O ATOM 0 H ASP A 87 11.034 5.990 0.048 1.00 0.00 H new ATOM 0 HA ASP A 87 8.489 5.241 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.750 7.430 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.791 7.631 1.655 1.00 0.00 H new ATOM 1329 N ILE A 88 7.525 4.269 -0.456 1.00 0.00 N ATOM 1330 CA ILE A 88 6.936 3.554 -1.615 1.00 0.00 C ATOM 1331 C ILE A 88 5.658 4.260 -2.041 1.00 0.00 C ATOM 1332 O ILE A 88 5.030 4.972 -1.279 1.00 0.00 O ATOM 1333 CB ILE A 88 6.639 2.130 -1.145 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.465 1.234 -2.364 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.395 2.126 -0.242 1.00 0.00 C ATOM 1336 CD1 ILE A 88 5.471 0.099 -2.111 1.00 0.00 C ATOM 0 H ILE A 88 7.073 4.078 0.439 1.00 0.00 H new ATOM 0 HA ILE A 88 7.611 3.539 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 88 7.468 1.743 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.122 1.834 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.431 0.813 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.189 1.108 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.573 2.761 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.539 2.506 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.381 -0.512 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.826 -0.518 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.497 0.518 -1.858 1.00 0.00 H new ATOM 1348 N LYS A 89 5.294 4.079 -3.266 1.00 0.00 N ATOM 1349 CA LYS A 89 4.076 4.747 -3.794 1.00 0.00 C ATOM 1350 C LYS A 89 3.334 3.848 -4.791 1.00 0.00 C ATOM 1351 O LYS A 89 3.934 3.145 -5.579 1.00 0.00 O ATOM 1352 CB LYS A 89 4.618 5.979 -4.510 1.00 0.00 C ATOM 1353 CG LYS A 89 4.184 7.234 -3.756 1.00 0.00 C ATOM 1354 CD LYS A 89 3.716 8.296 -4.753 1.00 0.00 C ATOM 1355 CE LYS A 89 4.903 9.171 -5.164 1.00 0.00 C ATOM 1356 NZ LYS A 89 5.251 8.728 -6.542 1.00 0.00 N ATOM 0 H LYS A 89 5.789 3.492 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 89 3.362 4.982 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.706 5.932 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.248 6.010 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.379 6.993 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.013 7.619 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.281 7.819 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.935 8.911 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.639 10.228 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.744 9.040 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.058 9.283 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.505 7.720 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.434 8.871 -7.169 1.00 0.00 H new ATOM 1370 N TYR A 90 2.031 3.892 -4.775 1.00 0.00 N ATOM 1371 CA TYR A 90 1.227 3.073 -5.734 1.00 0.00 C ATOM 1372 C TYR A 90 -0.009 3.864 -6.153 1.00 0.00 C ATOM 1373 O TYR A 90 -0.975 3.912 -5.407 1.00 0.00 O ATOM 1374 CB TYR A 90 0.792 1.817 -4.979 1.00 0.00 C ATOM 1375 CG TYR A 90 -0.354 1.178 -5.758 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -0.323 1.193 -7.162 1.00 0.00 C ATOM 1377 CD2 TYR A 90 -1.449 0.590 -5.102 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -1.362 0.624 -7.896 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -2.488 0.025 -5.853 1.00 0.00 C ATOM 1380 CZ TYR A 90 -2.441 0.042 -7.245 1.00 0.00 C ATOM 1381 OH TYR A 90 -3.462 -0.522 -7.977 1.00 0.00 O ATOM 0 H TYR A 90 1.481 4.464 -4.134 1.00 0.00 H new ATOM 0 HA TYR A 90 1.803 2.820 -6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.625 1.120 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.472 2.070 -3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.511 1.648 -7.676 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.489 0.574 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.328 0.636 -8.975 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.330 -0.426 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.273 -0.565 -7.428 1.00 0.00 H new ATOM 1391 N THR A 91 -0.013 4.488 -7.287 1.00 0.00 N ATOM 1392 CA THR A 91 -1.225 5.270 -7.690 1.00 0.00 C ATOM 1393 C THR A 91 -1.720 4.743 -9.025 1.00 0.00 C ATOM 1394 O THR A 91 -1.034 4.784 -10.027 1.00 0.00 O ATOM 1395 CB THR A 91 -0.748 6.722 -7.798 1.00 0.00 C ATOM 1396 OG1 THR A 91 -1.732 7.492 -8.475 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.565 6.766 -8.579 1.00 0.00 C ATOM 0 H THR A 91 0.758 4.497 -7.955 1.00 0.00 H new ATOM 0 HA THR A 91 -2.050 5.189 -6.983 1.00 0.00 H new ATOM 0 HB THR A 91 -0.591 7.132 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.430 8.422 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.907 7.798 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.317 6.173 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.408 6.359 -9.578 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.895 4.204 -9.022 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.455 3.610 -10.259 1.00 0.00 C ATOM 1407 C TRP A 92 -4.965 3.888 -10.340 1.00 0.00 C ATOM 1408 O TRP A 92 -5.730 3.246 -9.645 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.205 2.137 -10.041 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.895 1.473 -11.340 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.689 1.492 -11.954 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.773 0.685 -12.186 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.785 0.790 -13.147 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -3.050 0.269 -13.329 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -5.117 0.304 -12.073 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.648 -0.496 -14.331 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.724 -0.470 -13.077 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.990 -0.869 -14.204 1.00 0.00 C ATOM 0 H TRP A 92 -3.503 4.147 -8.205 1.00 0.00 H new ATOM 0 HA TRP A 92 -3.020 4.001 -11.179 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.376 2.000 -9.346 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.081 1.675 -9.587 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.799 1.974 -11.578 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -1.016 0.673 -13.807 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.690 0.607 -11.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.079 -0.798 -15.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.760 -0.759 -12.980 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.461 -1.464 -14.973 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.439 4.834 -11.130 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.908 5.069 -11.139 1.00 0.00 C ATOM 1431 C ASN A 93 -7.605 3.944 -11.940 1.00 0.00 C ATOM 1432 O ASN A 93 -7.011 3.342 -12.812 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.082 6.410 -11.850 1.00 0.00 C ATOM 1434 CG ASN A 93 -6.780 6.245 -13.344 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -7.639 5.631 -14.117 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 -5.746 6.678 -13.814 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.885 5.430 -11.746 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.341 5.077 -10.139 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.100 6.776 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.414 7.153 -11.414 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.074 7.157 -13.214 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.550 6.562 -14.808 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.849 3.653 -11.653 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.574 2.575 -12.384 1.00 0.00 C ATOM 1445 C VAL A 94 -11.086 2.890 -12.354 1.00 0.00 C ATOM 1446 O VAL A 94 -11.525 3.861 -11.697 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.229 1.240 -11.663 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -7.933 1.376 -10.856 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -10.358 0.817 -10.715 1.00 0.00 C ATOM 0 H VAL A 94 -9.398 4.124 -10.934 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.283 2.501 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.102 0.480 -12.434 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.712 0.431 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.113 1.635 -11.526 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.051 2.159 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.090 -0.119 -10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.510 1.590 -9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.278 0.678 -11.283 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.854 2.068 -13.047 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.292 2.295 -13.150 1.00 0.00 C ATOM 1461 C PRO A 95 -13.842 2.803 -11.853 1.00 0.00 C ATOM 1462 O PRO A 95 -13.240 2.670 -10.800 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.832 0.942 -13.613 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.721 0.010 -13.308 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.525 0.818 -13.708 1.00 0.00 C ATOM 0 HA PRO A 95 -13.586 3.074 -13.854 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.744 0.669 -13.081 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.073 0.947 -14.676 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.695 -0.264 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.797 -0.917 -13.877 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.589 0.388 -13.351 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.434 0.926 -14.789 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.912 3.509 -11.919 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.356 4.123 -10.695 1.00 0.00 C ATOM 1475 C LYS A 96 -16.103 3.209 -9.737 1.00 0.00 C ATOM 1476 O LYS A 96 -16.171 3.454 -8.549 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.173 5.241 -11.105 1.00 0.00 C ATOM 1478 CG LYS A 96 -15.135 6.285 -11.425 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.373 5.879 -12.678 1.00 0.00 C ATOM 1480 CE LYS A 96 -13.864 7.122 -13.410 1.00 0.00 C ATOM 1481 NZ LYS A 96 -14.180 6.876 -14.845 1.00 0.00 N ATOM 0 H LYS A 96 -15.478 3.678 -12.750 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.486 4.418 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.790 5.000 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.848 5.566 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.613 7.253 -11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.446 6.396 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.534 5.236 -12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.021 5.300 -13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.356 8.024 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.793 7.259 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.861 7.686 -15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.693 6.014 -15.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.207 6.756 -14.959 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.704 2.189 -10.250 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.495 1.285 -9.380 1.00 0.00 C ATOM 1497 C ILE A 97 -17.345 -0.205 -9.732 1.00 0.00 C ATOM 1498 O ILE A 97 -18.294 -0.960 -9.670 1.00 0.00 O ATOM 1499 CB ILE A 97 -18.904 1.766 -9.532 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.443 1.742 -8.165 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -19.741 0.945 -10.527 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -20.956 1.514 -8.127 1.00 0.00 C ATOM 0 H ILE A 97 -16.685 1.936 -11.238 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.146 1.327 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.939 2.763 -9.972 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.947 0.954 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.210 2.685 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.749 1.356 -10.581 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.279 0.987 -11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -19.789 -0.092 -10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.297 1.506 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.458 2.316 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.192 0.558 -8.594 1.00 0.00 H new ATOM 1514 N ALA A 98 -16.162 -0.651 -10.069 1.00 0.00 N ATOM 1515 CA ALA A 98 -15.997 -2.099 -10.383 1.00 0.00 C ATOM 1516 C ALA A 98 -16.324 -2.906 -9.123 1.00 0.00 C ATOM 1517 O ALA A 98 -17.301 -3.629 -9.090 1.00 0.00 O ATOM 1518 CB ALA A 98 -14.534 -2.285 -10.805 1.00 0.00 C ATOM 0 H ALA A 98 -15.317 -0.085 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 98 -16.659 -2.439 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.356 -3.333 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -14.327 -1.669 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.879 -1.985 -9.987 1.00 0.00 H new ATOM 1524 N PRO A 99 -15.519 -2.721 -8.108 1.00 0.00 N ATOM 1525 CA PRO A 99 -15.758 -3.400 -6.818 1.00 0.00 C ATOM 1526 C PRO A 99 -16.945 -2.823 -6.194 1.00 0.00 C ATOM 1527 O PRO A 99 -17.550 -1.879 -6.664 1.00 0.00 O ATOM 1528 CB PRO A 99 -14.468 -3.189 -6.034 1.00 0.00 C ATOM 1529 CG PRO A 99 -13.878 -1.948 -6.618 1.00 0.00 C ATOM 1530 CD PRO A 99 -14.318 -1.877 -8.060 1.00 0.00 C ATOM 0 HA PRO A 99 -15.968 -4.467 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.665 -3.072 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.794 -4.039 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.214 -1.068 -6.070 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.790 -1.970 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -14.538 -0.852 -8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.544 -2.247 -8.732 1.00 0.00 H new ATOM 1538 N LYS A 100 -17.411 -3.549 -5.263 1.00 0.00 N ATOM 1539 CA LYS A 100 -18.707 -3.226 -4.739 1.00 0.00 C ATOM 1540 C LYS A 100 -18.592 -2.569 -3.376 1.00 0.00 C ATOM 1541 O LYS A 100 -18.336 -3.239 -2.400 1.00 0.00 O ATOM 1542 CB LYS A 100 -19.413 -4.586 -4.692 1.00 0.00 C ATOM 1543 CG LYS A 100 -18.842 -5.544 -5.746 1.00 0.00 C ATOM 1544 CD LYS A 100 -18.679 -4.783 -7.061 1.00 0.00 C ATOM 1545 CE LYS A 100 -19.865 -5.153 -7.905 1.00 0.00 C ATOM 1546 NZ LYS A 100 -19.398 -5.094 -9.317 1.00 0.00 N ATOM 0 H LYS A 100 -16.945 -4.354 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 100 -19.259 -2.503 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.300 -5.023 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -20.481 -4.450 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.881 -5.939 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -19.508 -6.396 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.644 -3.707 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.747 -5.056 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.226 -6.151 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.693 -4.464 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.927 -4.358 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.383 -4.868 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.557 -6.015 -9.774 1.00 0.00 H new ATOM 1560 N SER A 101 -18.764 -1.268 -3.289 1.00 0.00 N ATOM 1561 CA SER A 101 -18.644 -0.613 -1.939 1.00 0.00 C ATOM 1562 C SER A 101 -19.362 -1.456 -0.925 1.00 0.00 C ATOM 1563 O SER A 101 -20.562 -1.408 -0.740 1.00 0.00 O ATOM 1564 CB SER A 101 -19.231 0.797 -2.040 1.00 0.00 C ATOM 1565 OG SER A 101 -20.469 0.769 -2.746 1.00 0.00 O ATOM 0 H SER A 101 -18.976 -0.645 -4.068 1.00 0.00 H new ATOM 0 HA SER A 101 -17.605 -0.530 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.383 1.207 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.528 1.455 -2.551 1.00 0.00 H new ATOM 0 HG SER A 101 -21.036 0.056 -2.385 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.574 -2.243 -0.287 1.00 0.00 N ATOM 1572 CA GLU A 102 -19.091 -3.181 0.760 1.00 0.00 C ATOM 1573 C GLU A 102 -18.028 -3.690 1.607 1.00 0.00 C ATOM 1574 O GLU A 102 -18.191 -3.961 2.781 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.470 -4.531 0.117 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.600 -4.355 -0.898 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.874 -5.691 -1.592 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -19.921 -6.403 -1.859 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -22.033 -5.979 -1.843 1.00 0.00 O ATOM 0 H GLU A 102 -17.566 -2.290 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.876 -2.615 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.598 -4.961 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.778 -5.233 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.501 -4.001 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.327 -3.599 -1.635 1.00 0.00 H new ATOM 1586 N ASN A 103 -17.060 -4.163 0.907 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.173 -5.026 1.607 1.00 0.00 C ATOM 1588 C ASN A 103 -14.817 -5.165 0.955 1.00 0.00 C ATOM 1589 O ASN A 103 -14.532 -6.121 0.270 1.00 0.00 O ATOM 1590 CB ASN A 103 -17.072 -6.225 1.388 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.375 -7.513 1.817 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -15.272 -7.457 2.526 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.835 -8.594 1.505 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.866 -3.987 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.869 -4.764 2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.995 -6.101 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.349 -6.290 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.692 -8.644 0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.364 -9.451 1.794 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.975 -4.228 1.194 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.605 -4.303 0.606 1.00 0.00 C ATOM 1602 C VAL A 104 -11.527 -3.760 1.571 1.00 0.00 C ATOM 1603 O VAL A 104 -11.670 -2.699 2.144 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.624 -3.475 -0.665 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.293 -3.625 -1.397 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -13.816 -3.808 -1.593 1.00 0.00 C ATOM 0 H VAL A 104 -14.160 -3.406 1.769 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.349 -5.344 0.408 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.762 -2.434 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.310 -3.029 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.483 -3.281 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.134 -4.673 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.770 -3.181 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.768 -4.857 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.751 -3.621 -1.065 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.432 -4.482 1.722 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.314 -4.036 2.607 1.00 0.00 C ATOM 1618 C VAL A 105 -8.003 -4.425 1.939 1.00 0.00 C ATOM 1619 O VAL A 105 -7.846 -5.513 1.432 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.501 -4.789 3.924 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -8.280 -4.566 4.814 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -10.750 -4.270 4.643 1.00 0.00 C ATOM 0 H VAL A 105 -10.271 -5.376 1.258 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.304 -2.960 2.781 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.617 -5.853 3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.412 -5.102 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.388 -4.935 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.167 -3.501 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.880 -4.809 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.636 -3.206 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.624 -4.425 4.011 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.072 -3.522 1.917 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.775 -3.822 1.244 1.00 0.00 C ATOM 1634 C VAL A 106 -4.612 -3.909 2.199 1.00 0.00 C ATOM 1635 O VAL A 106 -4.518 -3.216 3.187 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.577 -2.712 0.215 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.910 -1.472 0.837 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -4.704 -3.270 -0.907 1.00 0.00 C ATOM 0 H VAL A 106 -7.146 -2.593 2.332 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.811 -4.807 0.779 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.547 -2.394 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.786 -0.704 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.537 -1.086 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.934 -1.746 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.543 -2.499 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.743 -3.584 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.201 -4.126 -1.364 1.00 0.00 H new ATOM 1648 N THR A 107 -3.713 -4.757 1.854 1.00 0.00 N ATOM 1649 CA THR A 107 -2.477 -4.954 2.650 1.00 0.00 C ATOM 1650 C THR A 107 -1.329 -4.944 1.656 1.00 0.00 C ATOM 1651 O THR A 107 -1.205 -5.855 0.854 1.00 0.00 O ATOM 1652 CB THR A 107 -2.627 -6.299 3.283 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.005 -6.633 3.393 1.00 0.00 O ATOM 1654 CG2 THR A 107 -1.979 -6.247 4.666 1.00 0.00 C ATOM 0 H THR A 107 -3.777 -5.348 1.025 1.00 0.00 H new ATOM 0 HA THR A 107 -2.300 -4.197 3.414 1.00 0.00 H new ATOM 0 HB THR A 107 -2.142 -7.062 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.095 -7.517 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.075 -7.219 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.923 -5.996 4.564 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.475 -5.489 5.272 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.517 -3.930 1.621 1.00 0.00 N ATOM 1663 CA VAL A 108 0.560 -3.927 0.593 1.00 0.00 C ATOM 1664 C VAL A 108 1.904 -3.740 1.282 1.00 0.00 C ATOM 1665 O VAL A 108 2.043 -3.025 2.245 1.00 0.00 O ATOM 1666 CB VAL A 108 0.190 -2.774 -0.384 1.00 0.00 C ATOM 1667 CG1 VAL A 108 0.939 -2.865 -1.710 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.335 -2.732 -0.643 1.00 0.00 C ATOM 0 H VAL A 108 -0.547 -3.121 2.241 1.00 0.00 H new ATOM 0 HA VAL A 108 0.644 -4.860 0.035 1.00 0.00 H new ATOM 0 HB VAL A 108 0.497 -1.849 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.643 -2.036 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.012 -2.816 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.698 -3.808 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.565 -1.917 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.656 -3.677 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.860 -2.573 0.299 1.00 0.00 H new ATOM 1678 N LYS A 109 2.890 -4.431 0.778 1.00 0.00 N ATOM 1679 CA LYS A 109 4.245 -4.355 1.396 1.00 0.00 C ATOM 1680 C LYS A 109 5.356 -4.172 0.374 1.00 0.00 C ATOM 1681 O LYS A 109 5.293 -4.619 -0.744 1.00 0.00 O ATOM 1682 CB LYS A 109 4.434 -5.632 2.192 1.00 0.00 C ATOM 1683 CG LYS A 109 5.003 -6.698 1.382 1.00 0.00 C ATOM 1684 CD LYS A 109 3.914 -7.453 0.628 1.00 0.00 C ATOM 1685 CE LYS A 109 4.066 -8.942 0.919 1.00 0.00 C ATOM 1686 NZ LYS A 109 3.546 -9.633 -0.294 1.00 0.00 N ATOM 0 H LYS A 109 2.816 -5.044 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 109 4.306 -3.475 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.086 -5.436 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.473 -5.955 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.717 -6.279 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.555 -7.389 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.928 -7.105 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.996 -7.266 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.108 -9.203 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.503 -9.229 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.508 -10.658 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.591 -9.283 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.175 -9.441 -1.099 1.00 0.00 H new ATOM 1700 N VAL A 110 6.400 -3.566 0.812 1.00 0.00 N ATOM 1701 CA VAL A 110 7.590 -3.367 -0.034 1.00 0.00 C ATOM 1702 C VAL A 110 8.607 -4.451 0.359 1.00 0.00 C ATOM 1703 O VAL A 110 8.936 -4.586 1.538 1.00 0.00 O ATOM 1704 CB VAL A 110 8.126 -1.978 0.317 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.601 -1.830 -0.097 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.303 -0.925 -0.404 1.00 0.00 C ATOM 0 H VAL A 110 6.484 -3.185 1.755 1.00 0.00 H new ATOM 0 HA VAL A 110 7.384 -3.436 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 110 8.053 -1.847 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.954 -0.833 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.202 -2.576 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.693 -1.976 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.683 0.066 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.374 -1.082 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.261 -1.003 -0.094 1.00 0.00 H new ATOM 1716 N MET A 111 9.111 -5.204 -0.610 1.00 0.00 N ATOM 1717 CA MET A 111 10.123 -6.278 -0.321 1.00 0.00 C ATOM 1718 C MET A 111 11.452 -5.812 -0.860 1.00 0.00 C ATOM 1719 O MET A 111 11.579 -5.463 -2.014 1.00 0.00 O ATOM 1720 CB MET A 111 9.643 -7.505 -1.060 1.00 0.00 C ATOM 1721 CG MET A 111 9.119 -8.552 -0.067 1.00 0.00 C ATOM 1722 SD MET A 111 7.332 -8.739 -0.278 1.00 0.00 S ATOM 1723 CE MET A 111 7.375 -10.331 -1.140 1.00 0.00 C ATOM 0 H MET A 111 8.858 -5.114 -1.594 1.00 0.00 H new ATOM 0 HA MET A 111 10.235 -6.494 0.742 1.00 0.00 H new ATOM 0 HB2 MET A 111 8.854 -7.231 -1.760 1.00 0.00 H new ATOM 0 HB3 MET A 111 10.459 -7.927 -1.647 1.00 0.00 H new ATOM 0 HG2 MET A 111 9.618 -9.507 -0.232 1.00 0.00 H new ATOM 0 HG3 MET A 111 9.346 -8.246 0.954 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.357 -10.689 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 111 7.867 -10.209 -2.105 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.927 -11.055 -0.540 1.00 0.00 H new ATOM 1733 N GLY A 112 12.418 -5.725 -0.027 1.00 0.00 N ATOM 1734 CA GLY A 112 13.733 -5.181 -0.492 1.00 0.00 C ATOM 1735 C GLY A 112 14.585 -6.190 -1.293 1.00 0.00 C ATOM 1736 O GLY A 112 14.116 -6.885 -2.172 1.00 0.00 O ATOM 0 H GLY A 112 12.376 -6.000 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.552 -4.302 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.303 -4.848 0.375 1.00 0.00 H new ATOM 1740 N ASP A 113 15.861 -6.202 -0.995 1.00 0.00 N ATOM 1741 CA ASP A 113 16.867 -7.066 -1.700 1.00 0.00 C ATOM 1742 C ASP A 113 16.851 -8.484 -1.191 1.00 0.00 C ATOM 1743 O ASP A 113 17.516 -9.365 -1.699 1.00 0.00 O ATOM 1744 CB ASP A 113 18.198 -6.402 -1.371 1.00 0.00 C ATOM 1745 CG ASP A 113 18.581 -6.697 0.081 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.682 -6.856 0.891 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.767 -6.758 0.360 1.00 0.00 O ATOM 0 H ASP A 113 16.265 -5.623 -0.259 1.00 0.00 H new ATOM 0 HA ASP A 113 16.665 -7.139 -2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.974 -6.769 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.126 -5.325 -1.526 1.00 0.00 H new ATOM 1752 N ASP A 114 16.086 -8.694 -0.205 1.00 0.00 N ATOM 1753 CA ASP A 114 15.965 -10.019 0.373 1.00 0.00 C ATOM 1754 C ASP A 114 14.495 -10.399 0.512 1.00 0.00 C ATOM 1755 O ASP A 114 14.156 -11.507 0.883 1.00 0.00 O ATOM 1756 CB ASP A 114 16.673 -9.972 1.717 1.00 0.00 C ATOM 1757 CG ASP A 114 16.269 -8.705 2.473 1.00 0.00 C ATOM 1758 OD1 ASP A 114 15.327 -8.059 2.045 1.00 0.00 O ATOM 1759 OD2 ASP A 114 16.908 -8.404 3.468 1.00 0.00 O ATOM 0 H ASP A 114 15.516 -7.977 0.244 1.00 0.00 H new ATOM 0 HA ASP A 114 16.420 -10.781 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.417 -10.854 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.753 -9.990 1.570 1.00 0.00 H new ATOM 1764 N GLY A 115 13.621 -9.487 0.198 1.00 0.00 N ATOM 1765 CA GLY A 115 12.190 -9.750 0.279 1.00 0.00 C ATOM 1766 C GLY A 115 11.700 -9.428 1.626 1.00 0.00 C ATOM 1767 O GLY A 115 11.537 -10.236 2.517 1.00 0.00 O ATOM 0 H GLY A 115 13.862 -8.548 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.659 -9.154 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.990 -10.797 0.050 1.00 0.00 H new ATOM 1771 N VAL A 116 11.431 -8.213 1.667 1.00 0.00 N ATOM 1772 CA VAL A 116 10.849 -7.514 2.862 1.00 0.00 C ATOM 1773 C VAL A 116 11.376 -6.082 2.997 1.00 0.00 C ATOM 1774 O VAL A 116 12.516 -5.793 2.693 1.00 0.00 O ATOM 1775 CB VAL A 116 11.225 -8.312 4.100 1.00 0.00 C ATOM 1776 CG1 VAL A 116 12.737 -8.511 4.122 1.00 0.00 C ATOM 1777 CG2 VAL A 116 10.779 -7.524 5.331 1.00 0.00 C ATOM 0 H VAL A 116 11.589 -7.589 0.876 1.00 0.00 H new ATOM 0 HA VAL A 116 9.767 -7.453 2.744 1.00 0.00 H new ATOM 0 HB VAL A 116 10.740 -9.288 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 116 13.016 -9.083 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.046 -9.053 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.231 -7.540 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.039 -8.079 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 116 11.279 -6.556 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.700 -7.374 5.296 1.00 0.00 H new ATOM 1787 N LEU A 117 10.545 -5.186 3.462 1.00 0.00 N ATOM 1788 CA LEU A 117 10.977 -3.771 3.634 1.00 0.00 C ATOM 1789 C LEU A 117 10.029 -3.026 4.570 1.00 0.00 C ATOM 1790 O LEU A 117 10.431 -2.490 5.579 1.00 0.00 O ATOM 1791 CB LEU A 117 10.968 -3.181 2.239 1.00 0.00 C ATOM 1792 CG LEU A 117 12.108 -2.169 2.096 1.00 0.00 C ATOM 1793 CD1 LEU A 117 12.055 -1.155 3.241 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.450 -2.904 2.132 1.00 0.00 C ATOM 0 H LEU A 117 9.580 -5.377 3.731 1.00 0.00 H new ATOM 0 HA LEU A 117 11.964 -3.693 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.078 -3.973 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.012 -2.695 2.046 1.00 0.00 H new ATOM 0 HG LEU A 117 12.001 -1.644 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.870 -0.439 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.102 -0.627 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.156 -1.676 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.262 -2.184 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.550 -3.432 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.495 -3.620 1.311 1.00 0.00 H new ATOM 1806 N ALA A 118 8.772 -2.990 4.245 1.00 0.00 N ATOM 1807 CA ALA A 118 7.789 -2.271 5.138 1.00 0.00 C ATOM 1808 C ALA A 118 6.395 -2.509 4.618 1.00 0.00 C ATOM 1809 O ALA A 118 6.133 -2.362 3.451 1.00 0.00 O ATOM 1810 CB ALA A 118 8.166 -0.790 5.052 1.00 0.00 C ATOM 0 H ALA A 118 8.371 -3.419 3.411 1.00 0.00 H new ATOM 0 HA ALA A 118 7.818 -2.618 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.491 -0.206 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.191 -0.655 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.085 -0.453 4.019 1.00 0.00 H new ATOM 1816 N CYS A 119 5.497 -2.905 5.447 1.00 0.00 N ATOM 1817 CA CYS A 119 4.130 -3.193 4.903 1.00 0.00 C ATOM 1818 C CYS A 119 3.010 -2.614 5.730 1.00 0.00 C ATOM 1819 O CYS A 119 3.056 -2.543 6.942 1.00 0.00 O ATOM 1820 CB CYS A 119 4.025 -4.718 4.799 1.00 0.00 C ATOM 1821 SG CYS A 119 3.390 -5.425 6.317 1.00 0.00 S ATOM 0 H CYS A 119 5.624 -3.044 6.449 1.00 0.00 H new ATOM 0 HA CYS A 119 4.014 -2.711 3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.371 -4.985 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 119 5.006 -5.139 4.580 1.00 0.00 H new ATOM 1826 N ALA A 120 1.995 -2.192 5.041 1.00 0.00 N ATOM 1827 CA ALA A 120 0.827 -1.593 5.743 1.00 0.00 C ATOM 1828 C ALA A 120 -0.489 -1.879 5.023 1.00 0.00 C ATOM 1829 O ALA A 120 -0.602 -1.854 3.805 1.00 0.00 O ATOM 1830 CB ALA A 120 1.109 -0.085 5.790 1.00 0.00 C ATOM 0 H ALA A 120 1.920 -2.234 4.025 1.00 0.00 H new ATOM 0 HA ALA A 120 0.711 -2.022 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.288 0.423 6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.036 0.095 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.204 0.299 4.774 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.465 -2.188 5.813 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.818 -2.519 5.331 1.00 0.00 C ATOM 1838 C ILE A 121 -3.822 -1.403 5.679 1.00 0.00 C ATOM 1839 O ILE A 121 -3.874 -0.936 6.799 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.111 -3.768 6.091 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.250 -4.457 5.567 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.299 -3.501 7.563 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.526 -3.640 5.763 1.00 0.00 C ATOM 0 H ILE A 121 -1.371 -2.226 6.828 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.889 -2.632 4.249 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.239 -4.410 5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.102 -4.656 4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.354 -5.423 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.510 -4.438 8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.390 -3.059 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.132 -2.813 7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.375 -4.188 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.685 -3.463 6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.429 -2.685 5.247 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.623 -0.976 4.735 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.618 0.091 5.016 1.00 0.00 C ATOM 1857 C ALA A 122 -7.001 -0.365 4.479 1.00 0.00 C ATOM 1858 O ALA A 122 -7.152 -1.493 4.038 1.00 0.00 O ATOM 1859 CB ALA A 122 -5.099 1.298 4.232 1.00 0.00 C ATOM 0 H ALA A 122 -4.626 -1.326 3.777 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.737 0.317 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.772 2.143 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.103 1.562 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.052 1.050 3.172 1.00 0.00 H new