USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 930 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 59 MET CE :methyl -175:sc= -2.49 (180deg=-2.55) USER MOD Set 1.2: A 115 HIS :FLIP no HD1:sc= -6.8! C(o=-12!,f=-9.3!) USER MOD Set 2.1: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 113 CYS SG : rot 90:sc= 0.0166 USER MOD Set 3.1: A 53 HIS : no HD1:sc= -0.433 K(o=0.65,f=-18!) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 169:sc= 0.62 (180deg=-0.0143) USER MOD Set 3.3: A 99 TYR OH : rot 134:sc= 0.465 USER MOD Set 4.1: A 50 TYR OH : rot -72:sc= 0.0355 USER MOD Set 4.2: A 91 ASN : amide:sc= 0.701 K(o=0.74,f=-0.069) USER MOD Set 5.1: A 6 THR OG1 : rot 149:sc= 1.85 USER MOD Set 5.2: A 35 GLN : amide:sc= 1.15 K(o=3,f=0.97) USER MOD Single : A 10 HIS : no HE2:sc= -0.535 X(o=-0.54,f=-0.26) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 29 MET CE :methyl 177:sc= -0.643 (180deg=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.225 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 2.29 (180deg=1.33) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -66:sc= 0.897 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.09 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.158 F(o=-0.8,f=-0.16) USER MOD Single : A 71 ASN : amide:sc= -0.0396 X(o=-0.04,f=-0.27) USER MOD Single : A 76 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-1.6) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0.131 K(o=0.13,f=-5.2!) USER MOD Single : A 95 THR OG1 : rot 82:sc= 0.955 USER MOD Single : A 97 THR OG1 : rot 133:sc= 1.16 USER MOD Single : A 100 CYS SG : rot -25:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.41 USER MOD Single : A 104 MET CE :methyl 175:sc= -0.524 (180deg=-0.771) USER MOD Single : A 105 SER OG : rot 180:sc= -0.557 USER MOD Single : A 108 THR OG1 : rot 140:sc= -0.575 USER MOD Single : A 111 SER OG : rot 147:sc= 1.21 USER MOD Single : A 121 LYS NZ :NH3+ 177:sc= 0.119 (180deg=0.043) USER MOD ----------------------------------------------------------------- ATOM 38 N GLY A 4 -1.891 5.709 1.706 1.00 0.00 N ATOM 39 CA GLY A 4 -2.831 5.624 2.819 1.00 0.00 C ATOM 40 C GLY A 4 -2.605 6.795 3.753 1.00 0.00 C ATOM 41 O GLY A 4 -2.461 6.621 4.961 1.00 0.00 O ATOM 0 HA2 GLY A 4 -3.855 5.633 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.695 4.685 3.355 1.00 0.00 H new ATOM 45 N ASP A 5 -2.571 7.991 3.165 1.00 0.00 N ATOM 46 CA ASP A 5 -2.362 9.227 3.891 1.00 0.00 C ATOM 47 C ASP A 5 -2.770 10.402 3.007 1.00 0.00 C ATOM 48 O ASP A 5 -3.503 11.288 3.442 1.00 0.00 O ATOM 49 CB ASP A 5 -0.870 9.353 4.295 1.00 0.00 C ATOM 50 CG ASP A 5 -0.732 10.171 5.570 1.00 0.00 C ATOM 51 OD1 ASP A 5 -1.284 11.291 5.616 1.00 0.00 O ATOM 52 OD2 ASP A 5 -0.157 9.633 6.539 1.00 0.00 O ATOM 0 H ASP A 5 -2.690 8.122 2.160 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.969 9.229 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.442 8.362 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.307 9.826 3.490 1.00 0.00 H new ATOM 57 N THR A 6 -2.272 10.369 1.763 1.00 0.00 N ATOM 58 CA THR A 6 -2.449 11.328 0.688 1.00 0.00 C ATOM 59 C THR A 6 -2.183 12.745 1.154 1.00 0.00 C ATOM 60 O THR A 6 -1.482 12.928 2.145 1.00 0.00 O ATOM 61 CB THR A 6 -3.746 11.121 -0.070 1.00 0.00 C ATOM 62 OG1 THR A 6 -3.661 11.805 -1.301 1.00 0.00 O ATOM 63 CG2 THR A 6 -4.885 11.656 0.766 1.00 0.00 C ATOM 0 H THR A 6 -1.681 9.593 1.467 1.00 0.00 H new ATOM 0 HA THR A 6 -1.684 11.139 -0.065 1.00 0.00 H new ATOM 0 HB THR A 6 -3.921 10.063 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.188 11.329 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.825 11.514 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.922 11.122 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.731 12.719 0.953 1.00 0.00 H new ATOM 71 N PHE A 7 -2.676 13.733 0.390 1.00 0.00 N ATOM 72 CA PHE A 7 -2.353 15.128 0.604 1.00 0.00 C ATOM 73 C PHE A 7 -3.524 16.089 0.464 1.00 0.00 C ATOM 74 O PHE A 7 -4.624 15.698 0.074 1.00 0.00 O ATOM 75 CB PHE A 7 -1.147 15.399 -0.292 1.00 0.00 C ATOM 76 CG PHE A 7 -0.146 14.214 -0.165 1.00 0.00 C ATOM 77 CD1 PHE A 7 0.727 14.109 0.949 1.00 0.00 C ATOM 78 CD2 PHE A 7 -0.137 13.148 -1.104 1.00 0.00 C ATOM 79 CE1 PHE A 7 1.613 13.026 1.081 1.00 0.00 C ATOM 80 CE2 PHE A 7 0.753 12.069 -0.969 1.00 0.00 C ATOM 81 CZ PHE A 7 1.637 12.010 0.116 1.00 0.00 C ATOM 0 H PHE A 7 -3.310 13.573 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.097 15.322 1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.466 15.513 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.664 16.332 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.710 14.876 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.826 13.167 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.279 12.977 1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.755 11.280 -1.707 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.332 11.188 0.208 1.00 0.00 H new ATOM 91 N ILE A 8 -3.272 17.349 0.840 1.00 0.00 N ATOM 92 CA ILE A 8 -4.258 18.408 0.888 1.00 0.00 C ATOM 93 C ILE A 8 -4.360 19.177 -0.428 1.00 0.00 C ATOM 94 O ILE A 8 -3.349 19.338 -1.112 1.00 0.00 O ATOM 95 CB ILE A 8 -3.869 19.395 2.017 1.00 0.00 C ATOM 96 CG1 ILE A 8 -3.532 18.718 3.357 1.00 0.00 C ATOM 97 CG2 ILE A 8 -4.966 20.435 2.251 1.00 0.00 C ATOM 98 CD1 ILE A 8 -4.755 18.087 4.030 1.00 0.00 C ATOM 0 H ILE A 8 -2.343 17.658 1.126 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.229 17.949 1.074 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.959 19.877 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.778 17.949 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.093 19.454 4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.661 21.112 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.129 21.004 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.890 19.932 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.455 17.625 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.501 18.858 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.181 17.329 3.373 1.00 0.00 H new ATOM 110 N ARG A 9 -5.554 19.701 -0.752 1.00 0.00 N ATOM 111 CA ARG A 9 -5.734 20.564 -1.911 1.00 0.00 C ATOM 112 C ARG A 9 -5.474 21.947 -1.320 1.00 0.00 C ATOM 113 O ARG A 9 -4.505 22.610 -1.688 1.00 0.00 O ATOM 114 CB ARG A 9 -7.164 20.434 -2.505 1.00 0.00 C ATOM 115 CG ARG A 9 -7.243 20.902 -3.964 1.00 0.00 C ATOM 116 CD ARG A 9 -6.839 22.370 -4.145 1.00 0.00 C ATOM 117 NE ARG A 9 -7.107 22.830 -5.514 1.00 0.00 N ATOM 118 CZ ARG A 9 -6.718 24.017 -6.011 1.00 0.00 C ATOM 119 NH1 ARG A 9 -6.048 24.888 -5.242 1.00 0.00 N ATOM 120 NH2 ARG A 9 -7.001 24.332 -7.281 1.00 0.00 N ATOM 0 H ARG A 9 -6.408 19.535 -0.219 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.079 20.324 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.486 19.394 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.858 21.019 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.596 20.275 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.260 20.763 -4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.387 22.991 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.779 22.489 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.625 22.205 -6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.831 24.651 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.756 25.787 -5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.510 23.672 -7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.707 25.232 -7.661 1.00 0.00 H new ATOM 134 N HIS A 10 -6.330 22.352 -0.374 1.00 0.00 N ATOM 135 CA HIS A 10 -6.248 23.598 0.361 1.00 0.00 C ATOM 136 C HIS A 10 -7.310 23.639 1.459 1.00 0.00 C ATOM 137 O HIS A 10 -8.074 22.686 1.644 1.00 0.00 O ATOM 138 CB HIS A 10 -6.366 24.790 -0.621 1.00 0.00 C ATOM 139 CG HIS A 10 -7.729 25.433 -0.770 1.00 0.00 C ATOM 140 ND1 HIS A 10 -7.897 26.810 -0.806 1.00 0.00 N ATOM 141 CD2 HIS A 10 -8.999 24.922 -0.896 1.00 0.00 C ATOM 142 CE1 HIS A 10 -9.213 27.053 -0.946 1.00 0.00 C ATOM 143 NE2 HIS A 10 -9.941 25.939 -1.009 1.00 0.00 N ATOM 0 H HIS A 10 -7.132 21.786 -0.095 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.280 23.672 0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.662 25.560 -0.304 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.044 24.450 -1.605 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.158 27.510 -0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.235 23.868 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.634 28.046 -1.001 1.00 0.00 H new ATOM 151 N ILE A 11 -7.336 24.771 2.171 1.00 0.00 N ATOM 152 CA ILE A 11 -8.253 25.063 3.252 1.00 0.00 C ATOM 153 C ILE A 11 -9.148 26.222 2.827 1.00 0.00 C ATOM 154 O ILE A 11 -8.704 27.108 2.098 1.00 0.00 O ATOM 155 CB ILE A 11 -7.507 25.409 4.559 1.00 0.00 C ATOM 156 CG1 ILE A 11 -6.155 24.677 4.695 1.00 0.00 C ATOM 157 CG2 ILE A 11 -8.447 25.105 5.739 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.329 25.131 5.905 1.00 0.00 C ATOM 0 H ILE A 11 -6.685 25.536 1.993 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.853 24.176 3.455 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.249 26.468 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.338 23.605 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.572 24.836 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.943 25.341 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.350 25.709 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.715 24.049 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.393 24.574 5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.115 26.196 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.892 24.946 6.820 1.00 0.00 H new ATOM 170 N ALA A 12 -10.396 26.233 3.302 1.00 0.00 N ATOM 171 CA ALA A 12 -11.363 27.277 3.053 1.00 0.00 C ATOM 172 C ALA A 12 -12.062 27.375 4.395 1.00 0.00 C ATOM 173 O ALA A 12 -12.585 26.369 4.863 1.00 0.00 O ATOM 174 CB ALA A 12 -12.345 26.875 1.956 1.00 0.00 C ATOM 0 H ALA A 12 -10.763 25.484 3.890 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.921 28.212 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.059 27.682 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.799 26.681 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.879 25.974 2.258 1.00 0.00 H new ATOM 180 N LEU A 13 -12.062 28.537 5.046 1.00 0.00 N ATOM 181 CA LEU A 13 -12.689 28.667 6.353 1.00 0.00 C ATOM 182 C LEU A 13 -14.125 29.059 6.072 1.00 0.00 C ATOM 183 O LEU A 13 -14.365 29.881 5.186 1.00 0.00 O ATOM 184 CB LEU A 13 -11.871 29.629 7.229 1.00 0.00 C ATOM 185 CG LEU A 13 -11.933 29.563 8.787 1.00 0.00 C ATOM 186 CD1 LEU A 13 -10.669 30.259 9.282 1.00 0.00 C ATOM 187 CD2 LEU A 13 -13.028 30.319 9.520 1.00 0.00 C ATOM 0 H LEU A 13 -11.638 29.394 4.690 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.706 27.751 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.826 29.503 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.158 30.641 6.943 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.090 28.504 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.650 30.248 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.792 29.737 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.660 31.291 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.922 30.163 10.594 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.947 31.383 9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.002 29.954 9.195 1.00 0.00 H new ATOM 199 N LEU A 14 -15.076 28.464 6.792 1.00 0.00 N ATOM 200 CA LEU A 14 -16.480 28.762 6.540 1.00 0.00 C ATOM 201 C LEU A 14 -16.803 29.929 7.426 1.00 0.00 C ATOM 202 O LEU A 14 -17.284 30.954 6.942 1.00 0.00 O ATOM 203 CB LEU A 14 -17.405 27.566 6.870 1.00 0.00 C ATOM 204 CG LEU A 14 -18.531 27.491 5.822 1.00 0.00 C ATOM 205 CD1 LEU A 14 -18.049 26.974 4.456 1.00 0.00 C ATOM 206 CD2 LEU A 14 -19.668 26.603 6.338 1.00 0.00 C ATOM 0 H LEU A 14 -14.904 27.789 7.537 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.643 28.978 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.833 26.638 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.828 27.683 7.868 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.887 28.510 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.888 26.944 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.279 27.640 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.638 25.971 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.460 26.555 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.288 25.599 6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.066 27.022 7.262 1.00 0.00 H new ATOM 218 N GLY A 15 -16.499 29.778 8.715 1.00 0.00 N ATOM 219 CA GLY A 15 -16.740 30.945 9.555 1.00 0.00 C ATOM 220 C GLY A 15 -16.840 30.729 11.049 1.00 0.00 C ATOM 221 O GLY A 15 -15.859 30.386 11.695 1.00 0.00 O ATOM 0 H GLY A 15 -16.122 28.945 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.938 31.660 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -17.666 31.413 9.221 1.00 0.00 H new ATOM 225 N PHE A 16 -18.032 30.984 11.589 1.00 0.00 N ATOM 226 CA PHE A 16 -18.323 30.950 13.011 1.00 0.00 C ATOM 227 C PHE A 16 -18.754 29.548 13.452 1.00 0.00 C ATOM 228 O PHE A 16 -18.734 28.626 12.640 1.00 0.00 O ATOM 229 CB PHE A 16 -19.437 31.986 13.263 1.00 0.00 C ATOM 230 CG PHE A 16 -19.117 33.381 12.660 1.00 0.00 C ATOM 231 CD1 PHE A 16 -18.022 34.151 13.133 1.00 0.00 C ATOM 232 CD2 PHE A 16 -19.893 33.930 11.607 1.00 0.00 C ATOM 233 CE1 PHE A 16 -17.725 35.410 12.583 1.00 0.00 C ATOM 234 CE2 PHE A 16 -19.591 35.190 11.061 1.00 0.00 C ATOM 235 CZ PHE A 16 -18.509 35.932 11.547 1.00 0.00 C ATOM 0 H PHE A 16 -18.845 31.228 11.024 1.00 0.00 H new ATOM 0 HA PHE A 16 -17.435 31.193 13.595 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.371 31.618 12.837 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -19.594 32.088 14.337 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -17.406 33.762 13.930 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.731 33.370 11.218 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -16.888 35.978 12.961 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.198 35.588 10.261 1.00 0.00 H new ATOM 0 HZ PHE A 16 -18.280 36.900 11.126 1.00 0.00 H new ATOM 245 N GLU A 17 -19.150 29.418 14.724 1.00 0.00 N ATOM 246 CA GLU A 17 -19.685 28.237 15.397 1.00 0.00 C ATOM 247 C GLU A 17 -20.015 28.584 16.859 1.00 0.00 C ATOM 248 O GLU A 17 -19.677 29.672 17.324 1.00 0.00 O ATOM 249 CB GLU A 17 -18.844 26.960 15.222 1.00 0.00 C ATOM 250 CG GLU A 17 -19.560 25.921 14.343 1.00 0.00 C ATOM 251 CD GLU A 17 -20.932 25.528 14.882 1.00 0.00 C ATOM 252 OE1 GLU A 17 -21.040 25.331 16.111 1.00 0.00 O ATOM 253 OE2 GLU A 17 -21.877 25.495 14.063 1.00 0.00 O ATOM 0 H GLU A 17 -19.098 30.211 15.363 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.614 27.965 14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.884 27.216 14.774 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.634 26.526 16.200 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.673 26.321 13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.938 25.030 14.264 1.00 0.00 H new ATOM 260 N LYS A 18 -20.714 27.677 17.556 1.00 0.00 N ATOM 261 CA LYS A 18 -21.230 27.810 18.903 1.00 0.00 C ATOM 262 C LYS A 18 -20.995 26.597 19.823 1.00 0.00 C ATOM 263 O LYS A 18 -21.796 25.667 19.855 1.00 0.00 O ATOM 264 CB LYS A 18 -22.730 28.150 18.826 1.00 0.00 C ATOM 265 CG LYS A 18 -23.648 27.203 18.024 1.00 0.00 C ATOM 266 CD LYS A 18 -23.704 27.464 16.512 1.00 0.00 C ATOM 267 CE LYS A 18 -24.551 26.377 15.835 1.00 0.00 C ATOM 268 NZ LYS A 18 -24.407 26.400 14.368 1.00 0.00 N ATOM 0 H LYS A 18 -20.944 26.769 17.153 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.662 28.614 19.370 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.113 28.202 19.845 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.825 29.148 18.398 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.315 26.178 18.186 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.658 27.277 18.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.132 28.447 16.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -22.697 27.467 16.095 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -24.255 25.398 16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.599 26.517 16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.254 25.986 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -24.295 27.382 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.570 25.848 14.093 1.00 0.00 H new ATOM 282 N ARG A 19 -19.923 26.614 20.622 1.00 0.00 N ATOM 283 CA ARG A 19 -19.615 25.595 21.610 1.00 0.00 C ATOM 284 C ARG A 19 -19.651 26.282 22.967 1.00 0.00 C ATOM 285 O ARG A 19 -18.736 27.024 23.319 1.00 0.00 O ATOM 286 CB ARG A 19 -18.263 24.937 21.343 1.00 0.00 C ATOM 287 CG ARG A 19 -18.334 24.008 20.120 1.00 0.00 C ATOM 288 CD ARG A 19 -17.176 23.005 20.135 1.00 0.00 C ATOM 289 NE ARG A 19 -17.236 22.199 21.360 1.00 0.00 N ATOM 290 CZ ARG A 19 -16.207 21.565 21.934 1.00 0.00 C ATOM 291 NH1 ARG A 19 -15.078 21.348 21.251 1.00 0.00 N ATOM 292 NH2 ARG A 19 -16.327 21.166 23.207 1.00 0.00 N ATOM 0 H ARG A 19 -19.230 27.362 20.592 1.00 0.00 H new ATOM 0 HA ARG A 19 -20.343 24.785 21.569 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.507 25.705 21.177 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -17.952 24.368 22.219 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -19.284 23.474 20.117 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.298 24.599 19.205 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -17.231 22.358 19.259 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.224 23.533 20.082 1.00 0.00 H new ATOM 0 HE ARG A 19 -18.145 22.114 21.815 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.997 21.667 20.285 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.298 20.864 21.696 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.190 21.347 23.719 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.555 20.681 23.664 1.00 0.00 H new ATOM 401 N TYR A 26 -17.192 30.829 21.881 1.00 0.00 N ATOM 402 CA TYR A 26 -17.605 30.494 20.518 1.00 0.00 C ATOM 403 C TYR A 26 -16.351 30.072 19.744 1.00 0.00 C ATOM 404 O TYR A 26 -15.236 30.448 20.105 1.00 0.00 O ATOM 405 CB TYR A 26 -18.382 31.615 19.801 1.00 0.00 C ATOM 406 CG TYR A 26 -19.928 31.561 19.971 1.00 0.00 C ATOM 407 CD1 TYR A 26 -20.529 31.063 21.159 1.00 0.00 C ATOM 408 CD2 TYR A 26 -20.800 31.995 18.939 1.00 0.00 C ATOM 409 CE1 TYR A 26 -21.924 31.013 21.306 1.00 0.00 C ATOM 410 CE2 TYR A 26 -22.197 31.942 19.092 1.00 0.00 C ATOM 411 CZ TYR A 26 -22.762 31.452 20.275 1.00 0.00 C ATOM 412 OH TYR A 26 -24.115 31.395 20.428 1.00 0.00 O ATOM 0 HA TYR A 26 -18.322 29.675 20.564 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -18.025 32.576 20.170 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -18.148 31.575 18.737 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -19.899 30.716 21.965 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.382 32.374 18.018 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -22.354 30.633 22.221 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -22.838 32.282 18.292 1.00 0.00 H new ATOM 0 HH TYR A 26 -24.550 31.739 19.620 1.00 0.00 H new ATOM 422 N VAL A 27 -16.534 29.260 18.702 1.00 0.00 N ATOM 423 CA VAL A 27 -15.447 28.699 17.913 1.00 0.00 C ATOM 424 C VAL A 27 -15.687 29.022 16.440 1.00 0.00 C ATOM 425 O VAL A 27 -16.689 29.664 16.134 1.00 0.00 O ATOM 426 CB VAL A 27 -15.346 27.196 18.257 1.00 0.00 C ATOM 427 CG1 VAL A 27 -15.305 26.975 19.775 1.00 0.00 C ATOM 428 CG2 VAL A 27 -16.488 26.366 17.672 1.00 0.00 C ATOM 0 H VAL A 27 -17.458 28.972 18.381 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.475 29.135 18.145 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.415 26.858 17.802 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.234 25.908 19.986 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.438 27.486 20.194 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.214 27.374 20.225 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.357 25.320 17.950 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.439 26.729 18.062 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -16.484 26.456 16.586 1.00 0.00 H new ATOM 438 N TYR A 28 -14.782 28.616 15.534 1.00 0.00 N ATOM 439 CA TYR A 28 -14.884 28.869 14.116 1.00 0.00 C ATOM 440 C TYR A 28 -14.944 27.589 13.277 1.00 0.00 C ATOM 441 O TYR A 28 -14.167 26.655 13.503 1.00 0.00 O ATOM 442 CB TYR A 28 -13.818 29.871 13.631 1.00 0.00 C ATOM 443 CG TYR A 28 -12.597 30.092 14.490 1.00 0.00 C ATOM 444 CD1 TYR A 28 -11.872 28.980 14.901 1.00 0.00 C ATOM 445 CD2 TYR A 28 -12.184 31.376 14.877 1.00 0.00 C ATOM 446 CE1 TYR A 28 -10.757 29.105 15.742 1.00 0.00 C ATOM 447 CE2 TYR A 28 -11.064 31.516 15.713 1.00 0.00 C ATOM 448 CZ TYR A 28 -10.362 30.387 16.163 1.00 0.00 C ATOM 449 OH TYR A 28 -9.291 30.558 16.987 1.00 0.00 O ATOM 0 H TYR A 28 -13.945 28.092 15.789 1.00 0.00 H new ATOM 0 HA TYR A 28 -15.849 29.350 13.956 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -13.478 29.544 12.648 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -14.307 30.836 13.494 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -12.174 27.999 14.566 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.722 32.248 14.535 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.210 28.230 16.061 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.740 32.502 16.012 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.168 31.513 17.170 1.00 0.00 H new ATOM 459 N MET A 29 -15.879 27.557 12.312 1.00 0.00 N ATOM 460 CA MET A 29 -16.072 26.408 11.432 1.00 0.00 C ATOM 461 C MET A 29 -15.044 26.329 10.283 1.00 0.00 C ATOM 462 O MET A 29 -14.904 27.311 9.548 1.00 0.00 O ATOM 463 CB MET A 29 -17.501 26.456 10.882 1.00 0.00 C ATOM 464 CG MET A 29 -17.841 25.209 10.086 1.00 0.00 C ATOM 465 SD MET A 29 -17.712 23.709 11.083 1.00 0.00 S ATOM 466 CE MET A 29 -17.358 22.611 9.722 1.00 0.00 C ATOM 0 H MET A 29 -16.518 28.330 12.126 1.00 0.00 H new ATOM 0 HA MET A 29 -15.913 25.505 12.021 1.00 0.00 H new ATOM 0 HB2 MET A 29 -18.205 26.563 11.707 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.617 27.335 10.248 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.854 25.296 9.692 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.171 25.133 9.229 1.00 0.00 H new ATOM 0 HE1 MET A 29 -17.181 21.605 10.103 1.00 0.00 H new ATOM 0 HE2 MET A 29 -18.206 22.596 9.037 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.471 22.961 9.194 1.00 0.00 H new ATOM 476 N PHE A 30 -14.341 25.184 10.102 1.00 0.00 N ATOM 477 CA PHE A 30 -13.337 24.968 9.077 1.00 0.00 C ATOM 478 C PHE A 30 -13.724 23.990 7.965 1.00 0.00 C ATOM 479 O PHE A 30 -14.139 22.873 8.272 1.00 0.00 O ATOM 480 CB PHE A 30 -12.037 24.452 9.736 1.00 0.00 C ATOM 481 CG PHE A 30 -11.045 25.602 10.004 1.00 0.00 C ATOM 482 CD1 PHE A 30 -11.228 26.574 11.029 1.00 0.00 C ATOM 483 CD2 PHE A 30 -9.898 25.732 9.181 1.00 0.00 C ATOM 484 CE1 PHE A 30 -10.298 27.601 11.187 1.00 0.00 C ATOM 485 CE2 PHE A 30 -8.975 26.760 9.347 1.00 0.00 C ATOM 486 CZ PHE A 30 -9.176 27.693 10.349 1.00 0.00 C ATOM 0 H PHE A 30 -14.476 24.367 10.697 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.214 25.939 8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.277 23.951 10.674 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.569 23.710 9.089 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.086 26.516 11.683 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.735 25.007 8.397 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.443 28.336 11.965 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.112 26.829 8.701 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.466 28.495 10.487 1.00 0.00 H new ATOM 496 N LEU A 31 -13.540 24.365 6.681 1.00 0.00 N ATOM 497 CA LEU A 31 -13.792 23.490 5.563 1.00 0.00 C ATOM 498 C LEU A 31 -12.454 22.997 5.005 1.00 0.00 C ATOM 499 O LEU A 31 -11.659 23.812 4.533 1.00 0.00 O ATOM 500 CB LEU A 31 -14.661 24.208 4.517 1.00 0.00 C ATOM 501 CG LEU A 31 -16.107 23.707 4.483 1.00 0.00 C ATOM 502 CD1 LEU A 31 -16.147 22.292 3.924 1.00 0.00 C ATOM 503 CD2 LEU A 31 -16.802 23.827 5.852 1.00 0.00 C ATOM 0 H LEU A 31 -13.210 25.292 6.411 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.357 22.612 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -14.659 25.278 4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.215 24.075 3.531 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.680 24.351 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -17.178 21.939 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.740 22.289 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.552 21.634 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.825 23.459 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.258 23.236 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.815 24.872 6.163 1.00 0.00 H new ATOM 515 N VAL A 32 -12.190 21.679 5.044 1.00 0.00 N ATOM 516 CA VAL A 32 -10.963 21.125 4.503 1.00 0.00 C ATOM 517 C VAL A 32 -11.303 20.569 3.125 1.00 0.00 C ATOM 518 O VAL A 32 -12.328 19.902 2.964 1.00 0.00 O ATOM 519 CB VAL A 32 -10.250 20.134 5.437 1.00 0.00 C ATOM 520 CG1 VAL A 32 -11.170 19.255 6.276 1.00 0.00 C ATOM 521 CG2 VAL A 32 -9.272 19.241 4.662 1.00 0.00 C ATOM 0 H VAL A 32 -12.820 20.986 5.448 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.209 21.907 4.408 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.714 20.774 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.570 18.592 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.795 19.884 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.804 18.660 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.784 18.552 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.817 18.674 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.519 19.862 4.176 1.00 0.00 H new ATOM 531 N LYS A 33 -10.454 20.854 2.131 1.00 0.00 N ATOM 532 CA LYS A 33 -10.670 20.407 0.772 1.00 0.00 C ATOM 533 C LYS A 33 -9.560 19.418 0.434 1.00 0.00 C ATOM 534 O LYS A 33 -8.411 19.844 0.287 1.00 0.00 O ATOM 535 CB LYS A 33 -10.690 21.633 -0.158 1.00 0.00 C ATOM 536 CG LYS A 33 -12.023 21.770 -0.903 1.00 0.00 C ATOM 537 CD LYS A 33 -12.035 23.089 -1.683 1.00 0.00 C ATOM 538 CE LYS A 33 -13.343 23.265 -2.461 1.00 0.00 C ATOM 539 NZ LYS A 33 -13.386 24.571 -3.146 1.00 0.00 N ATOM 0 H LYS A 33 -9.602 21.401 2.257 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.627 19.901 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.508 22.534 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.878 21.553 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.160 20.930 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.852 21.745 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.905 23.923 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.192 23.113 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.444 22.464 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.189 23.181 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.283 24.662 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.313 25.334 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.592 24.639 -3.814 1.00 0.00 H new ATOM 553 N TRP A 34 -9.864 18.113 0.311 1.00 0.00 N ATOM 554 CA TRP A 34 -8.813 17.171 -0.023 1.00 0.00 C ATOM 555 C TRP A 34 -8.737 17.042 -1.542 1.00 0.00 C ATOM 556 O TRP A 34 -9.747 17.242 -2.215 1.00 0.00 O ATOM 557 CB TRP A 34 -9.020 15.817 0.640 1.00 0.00 C ATOM 558 CG TRP A 34 -8.903 15.731 2.128 1.00 0.00 C ATOM 559 CD1 TRP A 34 -9.825 16.123 3.032 1.00 0.00 C ATOM 560 CD2 TRP A 34 -7.790 15.198 2.898 1.00 0.00 C ATOM 561 NE1 TRP A 34 -9.363 15.870 4.311 1.00 0.00 N ATOM 562 CE2 TRP A 34 -8.107 15.293 4.284 1.00 0.00 C ATOM 563 CE3 TRP A 34 -6.544 14.635 2.557 1.00 0.00 C ATOM 564 CZ2 TRP A 34 -7.225 14.848 5.283 1.00 0.00 C ATOM 565 CZ3 TRP A 34 -5.657 14.186 3.547 1.00 0.00 C ATOM 566 CH2 TRP A 34 -5.994 14.287 4.906 1.00 0.00 C ATOM 0 H TRP A 34 -10.793 17.711 0.434 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.866 17.550 0.361 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.012 15.460 0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -8.299 15.122 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.780 16.567 2.793 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.882 16.082 5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.267 14.548 1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -7.490 14.936 6.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.707 13.759 3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -5.307 13.934 5.661 1.00 0.00 H new ATOM 577 N GLN A 35 -7.556 16.710 -2.084 1.00 0.00 N ATOM 578 CA GLN A 35 -7.384 16.563 -3.533 1.00 0.00 C ATOM 579 C GLN A 35 -7.729 15.138 -3.991 1.00 0.00 C ATOM 580 O GLN A 35 -7.696 14.867 -5.189 1.00 0.00 O ATOM 581 CB GLN A 35 -5.958 17.042 -3.987 1.00 0.00 C ATOM 582 CG GLN A 35 -4.782 16.463 -3.191 1.00 0.00 C ATOM 583 CD GLN A 35 -4.633 14.962 -3.390 1.00 0.00 C ATOM 584 OE1 GLN A 35 -4.295 14.518 -4.484 1.00 0.00 O ATOM 585 NE2 GLN A 35 -4.880 14.180 -2.345 1.00 0.00 N ATOM 0 H GLN A 35 -6.710 16.539 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.094 17.219 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.825 16.784 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.920 18.129 -3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.861 16.961 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.924 16.674 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.158 14.592 -1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.791 13.168 -2.433 1.00 0.00 H new ATOM 594 N ASP A 36 -8.083 14.249 -3.050 1.00 0.00 N ATOM 595 CA ASP A 36 -8.476 12.875 -3.289 1.00 0.00 C ATOM 596 C ASP A 36 -9.789 12.608 -2.564 1.00 0.00 C ATOM 597 O ASP A 36 -10.808 12.325 -3.190 1.00 0.00 O ATOM 598 CB ASP A 36 -7.375 11.928 -2.759 1.00 0.00 C ATOM 599 CG ASP A 36 -6.341 11.565 -3.814 1.00 0.00 C ATOM 600 OD1 ASP A 36 -6.760 11.214 -4.938 1.00 0.00 O ATOM 601 OD2 ASP A 36 -5.146 11.602 -3.452 1.00 0.00 O ATOM 0 H ASP A 36 -8.100 14.492 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.608 12.701 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.873 12.401 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.839 11.015 -2.384 1.00 0.00 H new ATOM 606 N LEU A 37 -9.765 12.707 -1.232 1.00 0.00 N ATOM 607 CA LEU A 37 -10.927 12.485 -0.391 1.00 0.00 C ATOM 608 C LEU A 37 -12.033 13.525 -0.615 1.00 0.00 C ATOM 609 O LEU A 37 -13.140 13.342 -0.112 1.00 0.00 O ATOM 610 CB LEU A 37 -10.504 12.438 1.065 1.00 0.00 C ATOM 611 CG LEU A 37 -9.648 11.210 1.469 1.00 0.00 C ATOM 612 CD1 LEU A 37 -9.079 10.261 0.395 1.00 0.00 C ATOM 613 CD2 LEU A 37 -8.440 11.717 2.234 1.00 0.00 C ATOM 0 H LEU A 37 -8.923 12.947 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.358 11.524 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.940 13.343 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.399 12.456 1.687 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.376 10.603 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.510 9.466 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.898 9.826 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.426 10.820 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.818 10.873 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.862 12.388 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.771 12.255 3.122 1.00 0.00 H new ATOM 625 N SER A 38 -11.755 14.605 -1.356 1.00 0.00 N ATOM 626 CA SER A 38 -12.728 15.658 -1.639 1.00 0.00 C ATOM 627 C SER A 38 -13.096 16.419 -0.359 1.00 0.00 C ATOM 628 O SER A 38 -12.296 16.530 0.570 1.00 0.00 O ATOM 629 CB SER A 38 -13.955 15.053 -2.376 1.00 0.00 C ATOM 630 OG SER A 38 -14.656 16.078 -3.050 1.00 0.00 O ATOM 0 H SER A 38 -10.841 14.770 -1.777 1.00 0.00 H new ATOM 0 HA SER A 38 -12.289 16.399 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.627 14.295 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.613 14.557 -1.662 1.00 0.00 H new ATOM 0 HG SER A 38 -15.428 15.695 -3.516 1.00 0.00 H new ATOM 636 N GLU A 39 -14.305 16.973 -0.345 1.00 0.00 N ATOM 637 CA GLU A 39 -14.864 17.797 0.708 1.00 0.00 C ATOM 638 C GLU A 39 -14.937 17.124 2.085 1.00 0.00 C ATOM 639 O GLU A 39 -15.479 16.034 2.213 1.00 0.00 O ATOM 640 CB GLU A 39 -16.301 18.276 0.287 1.00 0.00 C ATOM 641 CG GLU A 39 -17.130 17.276 -0.550 1.00 0.00 C ATOM 642 CD GLU A 39 -17.370 15.927 0.129 1.00 0.00 C ATOM 643 OE1 GLU A 39 -18.285 15.874 0.979 1.00 0.00 O ATOM 644 OE2 GLU A 39 -16.633 14.970 -0.198 1.00 0.00 O ATOM 0 H GLU A 39 -14.956 16.847 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.177 18.635 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.862 18.516 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.202 19.201 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.094 17.728 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.621 17.106 -1.498 1.00 0.00 H new ATOM 651 N LYS A 40 -14.436 17.773 3.144 1.00 0.00 N ATOM 652 CA LYS A 40 -14.557 17.242 4.499 1.00 0.00 C ATOM 653 C LYS A 40 -14.610 18.437 5.448 1.00 0.00 C ATOM 654 O LYS A 40 -14.100 19.503 5.106 1.00 0.00 O ATOM 655 CB LYS A 40 -13.479 16.200 4.852 1.00 0.00 C ATOM 656 CG LYS A 40 -13.934 14.758 4.550 1.00 0.00 C ATOM 657 CD LYS A 40 -13.341 14.147 3.271 1.00 0.00 C ATOM 658 CE LYS A 40 -14.229 12.994 2.762 1.00 0.00 C ATOM 659 NZ LYS A 40 -15.172 13.430 1.710 1.00 0.00 N ATOM 0 H LYS A 40 -13.945 18.665 3.084 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.477 16.665 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.570 16.417 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.228 16.285 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.668 14.124 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.021 14.744 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.254 14.914 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.335 13.778 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.596 12.197 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.790 12.575 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.877 12.684 1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.653 14.300 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.649 13.613 0.830 1.00 0.00 H new ATOM 673 N VAL A 41 -15.263 18.293 6.611 1.00 0.00 N ATOM 674 CA VAL A 41 -15.460 19.386 7.536 1.00 0.00 C ATOM 675 C VAL A 41 -14.796 19.147 8.888 1.00 0.00 C ATOM 676 O VAL A 41 -14.699 18.000 9.315 1.00 0.00 O ATOM 677 CB VAL A 41 -16.960 19.685 7.617 1.00 0.00 C ATOM 678 CG1 VAL A 41 -17.635 19.532 6.241 1.00 0.00 C ATOM 679 CG2 VAL A 41 -17.672 18.852 8.684 1.00 0.00 C ATOM 0 H VAL A 41 -15.664 17.409 6.924 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.954 20.277 7.164 1.00 0.00 H new ATOM 0 HB VAL A 41 -17.054 20.726 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -18.699 19.751 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -17.181 20.226 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.504 18.511 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.732 19.106 8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.555 17.792 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.237 19.063 9.661 1.00 0.00 H new ATOM 689 N VAL A 42 -14.337 20.222 9.551 1.00 0.00 N ATOM 690 CA VAL A 42 -13.683 20.153 10.847 1.00 0.00 C ATOM 691 C VAL A 42 -13.957 21.456 11.611 1.00 0.00 C ATOM 692 O VAL A 42 -14.410 22.436 11.023 1.00 0.00 O ATOM 693 CB VAL A 42 -12.176 19.850 10.695 1.00 0.00 C ATOM 694 CG1 VAL A 42 -11.859 18.533 9.976 1.00 0.00 C ATOM 695 CG2 VAL A 42 -11.381 20.999 10.078 1.00 0.00 C ATOM 0 H VAL A 42 -14.416 21.172 9.187 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.093 19.327 11.428 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.845 19.731 11.727 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.779 18.403 9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.294 17.702 10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.279 18.557 8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.331 20.715 10.002 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.771 21.218 9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.473 21.884 10.707 1.00 0.00 H new ATOM 705 N TYR A 43 -13.710 21.467 12.924 1.00 0.00 N ATOM 706 CA TYR A 43 -13.974 22.575 13.817 1.00 0.00 C ATOM 707 C TYR A 43 -12.675 23.129 14.387 1.00 0.00 C ATOM 708 O TYR A 43 -11.700 22.389 14.481 1.00 0.00 O ATOM 709 CB TYR A 43 -14.846 22.032 14.953 1.00 0.00 C ATOM 710 CG TYR A 43 -16.068 21.214 14.417 1.00 0.00 C ATOM 711 CD1 TYR A 43 -15.915 19.929 13.827 1.00 0.00 C ATOM 712 CD2 TYR A 43 -17.387 21.726 14.463 1.00 0.00 C ATOM 713 CE1 TYR A 43 -17.001 19.207 13.322 1.00 0.00 C ATOM 714 CE2 TYR A 43 -18.476 20.999 13.960 1.00 0.00 C ATOM 715 CZ TYR A 43 -18.292 19.736 13.387 1.00 0.00 C ATOM 716 OH TYR A 43 -19.352 19.036 12.894 1.00 0.00 O ATOM 0 H TYR A 43 -13.303 20.664 13.404 1.00 0.00 H new ATOM 0 HA TYR A 43 -14.473 23.384 13.283 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -14.242 21.398 15.602 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -15.205 22.861 15.562 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -14.927 19.496 13.767 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -17.559 22.700 14.896 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -16.841 18.235 12.879 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -19.469 21.420 14.016 1.00 0.00 H new ATOM 0 HH TYR A 43 -20.174 19.553 13.023 1.00 0.00 H new ATOM 726 N ARG A 44 -12.639 24.405 14.789 1.00 0.00 N ATOM 727 CA ARG A 44 -11.429 24.943 15.394 1.00 0.00 C ATOM 728 C ARG A 44 -11.825 25.907 16.510 1.00 0.00 C ATOM 729 O ARG A 44 -12.756 26.682 16.333 1.00 0.00 O ATOM 730 CB ARG A 44 -10.555 25.645 14.337 1.00 0.00 C ATOM 731 CG ARG A 44 -9.104 25.855 14.774 1.00 0.00 C ATOM 732 CD ARG A 44 -8.207 24.658 14.458 1.00 0.00 C ATOM 733 NE ARG A 44 -7.404 24.895 13.245 1.00 0.00 N ATOM 734 CZ ARG A 44 -7.751 24.636 11.974 1.00 0.00 C ATOM 735 NH1 ARG A 44 -8.909 24.031 11.688 1.00 0.00 N ATOM 736 NH2 ARG A 44 -6.920 24.981 10.984 1.00 0.00 N ATOM 0 H ARG A 44 -13.414 25.063 14.707 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.836 24.130 15.814 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.567 25.055 13.420 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.996 26.613 14.099 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.706 26.741 14.280 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.077 26.049 15.846 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.545 24.464 15.302 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.820 23.767 14.322 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.480 25.302 13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.542 23.760 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.159 23.841 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.033 25.436 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.174 24.789 10.015 1.00 0.00 H new ATOM 750 N ARG A 45 -11.109 25.885 17.638 1.00 0.00 N ATOM 751 CA ARG A 45 -11.247 26.766 18.782 1.00 0.00 C ATOM 752 C ARG A 45 -9.853 27.376 19.015 1.00 0.00 C ATOM 753 O ARG A 45 -8.843 26.852 18.532 1.00 0.00 O ATOM 754 CB ARG A 45 -11.825 26.035 20.011 1.00 0.00 C ATOM 755 CG ARG A 45 -11.155 24.694 20.333 1.00 0.00 C ATOM 756 CD ARG A 45 -11.728 24.014 21.591 1.00 0.00 C ATOM 757 NE ARG A 45 -11.450 22.566 21.600 1.00 0.00 N ATOM 758 CZ ARG A 45 -10.272 21.941 21.791 1.00 0.00 C ATOM 759 NH1 ARG A 45 -9.234 22.562 22.367 1.00 0.00 N ATOM 760 NH2 ARG A 45 -10.142 20.688 21.345 1.00 0.00 N ATOM 0 H ARG A 45 -10.367 25.199 17.777 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.972 27.559 18.597 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.737 26.688 20.880 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.889 25.864 19.848 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.271 24.024 19.481 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.085 24.854 20.470 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.298 24.473 22.481 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.805 24.179 21.636 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.254 21.959 21.441 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.325 23.531 22.673 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.353 22.066 22.500 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.923 20.231 20.874 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.262 20.189 21.475 1.00 0.00 H new ATOM 774 N PHE A 46 -9.789 28.497 19.740 1.00 0.00 N ATOM 775 CA PHE A 46 -8.536 29.196 19.998 1.00 0.00 C ATOM 776 C PHE A 46 -7.464 28.241 20.517 1.00 0.00 C ATOM 777 O PHE A 46 -6.357 28.174 19.986 1.00 0.00 O ATOM 778 CB PHE A 46 -8.714 30.393 20.956 1.00 0.00 C ATOM 779 CG PHE A 46 -10.109 30.760 21.434 1.00 0.00 C ATOM 780 CD1 PHE A 46 -11.066 31.224 20.516 1.00 0.00 C ATOM 781 CD2 PHE A 46 -10.447 30.649 22.798 1.00 0.00 C ATOM 782 CE1 PHE A 46 -12.355 31.574 20.953 1.00 0.00 C ATOM 783 CE2 PHE A 46 -11.736 30.999 23.234 1.00 0.00 C ATOM 784 CZ PHE A 46 -12.691 31.461 22.312 1.00 0.00 C ATOM 0 H PHE A 46 -10.605 28.941 20.162 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.203 29.598 19.041 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.105 30.200 21.839 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.294 31.271 20.465 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.810 31.312 19.470 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.715 30.295 23.508 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.087 31.930 20.244 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -11.993 30.913 24.279 1.00 0.00 H new ATOM 0 HZ PHE A 46 -13.682 31.729 22.648 1.00 0.00 H new ATOM 794 N THR A 47 -7.823 27.498 21.560 1.00 0.00 N ATOM 795 CA THR A 47 -6.952 26.533 22.208 1.00 0.00 C ATOM 796 C THR A 47 -6.509 25.420 21.257 1.00 0.00 C ATOM 797 O THR A 47 -5.476 24.825 21.510 1.00 0.00 O ATOM 798 CB THR A 47 -7.563 26.050 23.536 1.00 0.00 C ATOM 799 OG1 THR A 47 -6.889 24.921 24.063 1.00 0.00 O ATOM 800 CG2 THR A 47 -9.066 25.791 23.437 1.00 0.00 C ATOM 0 H THR A 47 -8.749 27.554 21.985 1.00 0.00 H new ATOM 0 HA THR A 47 -6.020 27.030 22.479 1.00 0.00 H new ATOM 0 HB THR A 47 -7.423 26.873 24.236 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.017 24.155 23.465 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.441 25.453 24.403 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.576 26.711 23.152 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.254 25.024 22.686 1.00 0.00 H new ATOM 808 N GLU A 48 -7.219 25.139 20.160 1.00 0.00 N ATOM 809 CA GLU A 48 -6.808 24.125 19.205 1.00 0.00 C ATOM 810 C GLU A 48 -5.707 24.733 18.366 1.00 0.00 C ATOM 811 O GLU A 48 -4.702 24.077 18.113 1.00 0.00 O ATOM 812 CB GLU A 48 -7.924 23.752 18.239 1.00 0.00 C ATOM 813 CG GLU A 48 -8.935 22.739 18.766 1.00 0.00 C ATOM 814 CD GLU A 48 -8.400 21.312 18.799 1.00 0.00 C ATOM 815 OE1 GLU A 48 -8.524 20.638 17.752 1.00 0.00 O ATOM 816 OE2 GLU A 48 -7.892 20.914 19.868 1.00 0.00 O ATOM 0 H GLU A 48 -8.090 25.610 19.917 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.509 23.235 19.758 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.458 24.660 17.959 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.476 23.353 17.329 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.238 23.029 19.772 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.828 22.770 18.142 1.00 0.00 H new ATOM 823 N ILE A 49 -5.898 25.987 17.933 1.00 0.00 N ATOM 824 CA ILE A 49 -4.849 26.643 17.161 1.00 0.00 C ATOM 825 C ILE A 49 -3.580 26.663 18.009 1.00 0.00 C ATOM 826 O ILE A 49 -2.498 26.353 17.516 1.00 0.00 O ATOM 827 CB ILE A 49 -5.282 28.042 16.695 1.00 0.00 C ATOM 828 CG1 ILE A 49 -6.240 27.873 15.511 1.00 0.00 C ATOM 829 CG2 ILE A 49 -4.086 28.923 16.316 1.00 0.00 C ATOM 830 CD1 ILE A 49 -7.447 28.755 15.788 1.00 0.00 C ATOM 0 H ILE A 49 -6.736 26.544 18.098 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.650 26.088 16.244 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.783 28.553 17.517 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.756 28.163 14.579 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.540 26.831 15.403 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.442 29.901 15.993 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.433 29.042 17.181 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.531 28.453 15.504 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.159 28.666 14.967 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.923 28.440 16.717 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.126 29.793 15.879 1.00 0.00 H new ATOM 842 N TYR A 50 -3.724 27.005 19.289 1.00 0.00 N ATOM 843 CA TYR A 50 -2.611 27.062 20.217 1.00 0.00 C ATOM 844 C TYR A 50 -2.019 25.685 20.447 1.00 0.00 C ATOM 845 O TYR A 50 -0.810 25.549 20.377 1.00 0.00 O ATOM 846 CB TYR A 50 -3.058 27.710 21.535 1.00 0.00 C ATOM 847 CG TYR A 50 -3.838 29.033 21.335 1.00 0.00 C ATOM 848 CD1 TYR A 50 -3.631 29.833 20.181 1.00 0.00 C ATOM 849 CD2 TYR A 50 -4.793 29.481 22.277 1.00 0.00 C ATOM 850 CE1 TYR A 50 -4.336 31.028 19.983 1.00 0.00 C ATOM 851 CE2 TYR A 50 -5.496 30.682 22.076 1.00 0.00 C ATOM 852 CZ TYR A 50 -5.269 31.456 20.930 1.00 0.00 C ATOM 853 OH TYR A 50 -5.956 32.617 20.731 1.00 0.00 O ATOM 0 H TYR A 50 -4.622 27.250 19.706 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.825 27.680 19.782 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.685 27.006 22.083 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.181 27.904 22.152 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.914 29.514 19.439 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.985 28.893 23.162 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.157 31.619 19.097 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.216 31.011 22.810 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.355 33.380 20.864 1.00 0.00 H new ATOM 863 N GLU A 51 -2.842 24.672 20.710 1.00 0.00 N ATOM 864 CA GLU A 51 -2.386 23.304 20.935 1.00 0.00 C ATOM 865 C GLU A 51 -1.585 22.825 19.724 1.00 0.00 C ATOM 866 O GLU A 51 -0.482 22.309 19.879 1.00 0.00 O ATOM 867 CB GLU A 51 -3.573 22.367 21.233 1.00 0.00 C ATOM 868 CG GLU A 51 -4.100 22.465 22.676 1.00 0.00 C ATOM 869 CD GLU A 51 -5.471 21.794 22.837 1.00 0.00 C ATOM 870 OE1 GLU A 51 -5.468 20.560 23.030 1.00 0.00 O ATOM 871 OE2 GLU A 51 -6.499 22.511 22.781 1.00 0.00 O ATOM 0 H GLU A 51 -3.854 24.780 20.773 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.737 23.285 21.810 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.386 22.596 20.544 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.269 21.339 21.037 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.386 21.998 23.355 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.174 23.514 22.964 1.00 0.00 H new ATOM 878 N PHE A 52 -2.131 23.019 18.522 1.00 0.00 N ATOM 879 CA PHE A 52 -1.475 22.644 17.272 1.00 0.00 C ATOM 880 C PHE A 52 -0.124 23.306 17.174 1.00 0.00 C ATOM 881 O PHE A 52 0.910 22.657 17.058 1.00 0.00 O ATOM 882 CB PHE A 52 -2.247 23.129 16.038 1.00 0.00 C ATOM 883 CG PHE A 52 -1.432 22.972 14.719 1.00 0.00 C ATOM 884 CD1 PHE A 52 -1.528 21.744 14.040 1.00 0.00 C ATOM 885 CD2 PHE A 52 -0.587 23.971 14.140 1.00 0.00 C ATOM 886 CE1 PHE A 52 -0.867 21.501 12.832 1.00 0.00 C ATOM 887 CE2 PHE A 52 0.077 23.717 12.923 1.00 0.00 C ATOM 888 CZ PHE A 52 -0.069 22.495 12.260 1.00 0.00 C ATOM 0 H PHE A 52 -3.049 23.444 18.390 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.415 21.556 17.287 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.178 22.569 15.954 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.516 24.177 16.171 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.135 20.960 14.468 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.458 24.921 14.636 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.973 20.545 12.341 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.710 24.480 12.495 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.429 22.321 11.317 1.00 0.00 H new ATOM 898 N HIS A 53 -0.178 24.632 17.171 1.00 0.00 N ATOM 899 CA HIS A 53 0.981 25.458 16.993 1.00 0.00 C ATOM 900 C HIS A 53 2.045 25.170 18.033 1.00 0.00 C ATOM 901 O HIS A 53 3.240 25.147 17.739 1.00 0.00 O ATOM 902 CB HIS A 53 0.532 26.911 16.951 1.00 0.00 C ATOM 903 CG HIS A 53 1.520 27.726 16.199 1.00 0.00 C ATOM 904 ND1 HIS A 53 1.836 27.304 14.943 1.00 0.00 N ATOM 905 CD2 HIS A 53 2.262 28.861 16.404 1.00 0.00 C ATOM 906 CE1 HIS A 53 2.710 28.143 14.415 1.00 0.00 C ATOM 907 NE2 HIS A 53 3.027 29.130 15.263 1.00 0.00 N ATOM 0 H HIS A 53 -1.043 25.158 17.294 1.00 0.00 H new ATOM 0 HA HIS A 53 1.467 25.229 16.045 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.447 26.984 16.478 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.426 27.297 17.965 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.257 29.455 17.306 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.119 28.045 13.420 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.677 29.901 15.112 1.00 0.00 H new ATOM 915 N LYS A 54 1.576 24.916 19.250 1.00 0.00 N ATOM 916 CA LYS A 54 2.449 24.566 20.354 1.00 0.00 C ATOM 917 C LYS A 54 3.093 23.216 20.074 1.00 0.00 C ATOM 918 O LYS A 54 4.270 23.020 20.358 1.00 0.00 O ATOM 919 CB LYS A 54 1.685 24.535 21.682 1.00 0.00 C ATOM 920 CG LYS A 54 1.501 25.945 22.257 1.00 0.00 C ATOM 921 CD LYS A 54 0.532 25.902 23.444 1.00 0.00 C ATOM 922 CE LYS A 54 0.343 27.304 24.035 1.00 0.00 C ATOM 923 NZ LYS A 54 -0.639 27.304 25.135 1.00 0.00 N ATOM 0 H LYS A 54 0.586 24.948 19.493 1.00 0.00 H new ATOM 0 HA LYS A 54 3.224 25.328 20.444 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.710 24.072 21.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.224 23.916 22.399 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.463 26.345 22.576 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.117 26.614 21.487 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.430 25.504 23.121 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.915 25.227 24.209 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.300 27.677 24.401 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.013 27.987 23.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.741 28.269 25.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.558 26.972 24.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.312 26.671 25.893 1.00 0.00 H new ATOM 937 N THR A 55 2.324 22.288 19.506 1.00 0.00 N ATOM 938 CA THR A 55 2.836 20.959 19.202 1.00 0.00 C ATOM 939 C THR A 55 3.865 21.053 18.095 1.00 0.00 C ATOM 940 O THR A 55 4.892 20.389 18.165 1.00 0.00 O ATOM 941 CB THR A 55 1.694 19.985 18.913 1.00 0.00 C ATOM 942 OG1 THR A 55 0.861 19.877 20.048 1.00 0.00 O ATOM 943 CG2 THR A 55 2.189 18.596 18.534 1.00 0.00 C ATOM 0 H THR A 55 1.348 22.434 19.249 1.00 0.00 H new ATOM 0 HA THR A 55 3.348 20.547 20.071 1.00 0.00 H new ATOM 0 HB THR A 55 1.143 20.387 18.063 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.299 20.677 20.119 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.336 17.946 18.340 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.806 18.662 17.638 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.780 18.184 19.352 1.00 0.00 H new ATOM 951 N LEU A 56 3.618 21.894 17.095 1.00 0.00 N ATOM 952 CA LEU A 56 4.579 22.090 16.030 1.00 0.00 C ATOM 953 C LEU A 56 5.871 22.549 16.670 1.00 0.00 C ATOM 954 O LEU A 56 6.914 21.957 16.438 1.00 0.00 O ATOM 955 CB LEU A 56 4.054 23.113 15.002 1.00 0.00 C ATOM 956 CG LEU A 56 4.748 23.238 13.639 1.00 0.00 C ATOM 957 CD1 LEU A 56 6.119 23.889 13.757 1.00 0.00 C ATOM 958 CD2 LEU A 56 4.912 21.944 12.817 1.00 0.00 C ATOM 0 H LEU A 56 2.764 22.445 17.005 1.00 0.00 H new ATOM 0 HA LEU A 56 4.747 21.163 15.481 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.006 22.880 14.815 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.082 24.095 15.474 1.00 0.00 H new ATOM 0 HG LEU A 56 4.044 23.864 13.090 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.575 23.958 12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.012 24.889 14.178 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.753 23.287 14.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.416 22.171 11.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.505 21.226 13.383 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.930 21.519 12.608 1.00 0.00 H new ATOM 970 N LYS A 57 5.798 23.587 17.498 1.00 0.00 N ATOM 971 CA LYS A 57 6.986 24.095 18.158 1.00 0.00 C ATOM 972 C LYS A 57 7.649 23.106 19.119 1.00 0.00 C ATOM 973 O LYS A 57 8.852 23.205 19.349 1.00 0.00 O ATOM 974 CB LYS A 57 6.625 25.376 18.925 1.00 0.00 C ATOM 975 CG LYS A 57 6.167 26.630 18.145 1.00 0.00 C ATOM 976 CD LYS A 57 6.126 26.554 16.606 1.00 0.00 C ATOM 977 CE LYS A 57 6.457 27.904 15.953 1.00 0.00 C ATOM 978 NZ LYS A 57 5.572 28.992 16.403 1.00 0.00 N ATOM 0 H LYS A 57 4.937 24.085 17.723 1.00 0.00 H new ATOM 0 HA LYS A 57 7.714 24.286 17.369 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.832 25.122 19.629 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.497 25.659 19.515 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.168 26.892 18.492 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.826 27.453 18.421 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.835 25.801 16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.136 26.230 16.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.491 28.167 16.178 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.382 27.806 14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.952 29.905 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.621 28.853 16.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.517 28.988 17.442 1.00 0.00 H new ATOM 992 N GLU A 58 6.886 22.174 19.689 1.00 0.00 N ATOM 993 CA GLU A 58 7.405 21.204 20.637 1.00 0.00 C ATOM 994 C GLU A 58 8.144 20.115 19.879 1.00 0.00 C ATOM 995 O GLU A 58 9.311 19.847 20.158 1.00 0.00 O ATOM 996 CB GLU A 58 6.271 20.596 21.497 1.00 0.00 C ATOM 997 CG GLU A 58 5.803 21.646 22.554 1.00 0.00 C ATOM 998 CD GLU A 58 6.608 21.503 23.840 1.00 0.00 C ATOM 999 OE1 GLU A 58 6.209 20.650 24.664 1.00 0.00 O ATOM 1000 OE2 GLU A 58 7.608 22.240 23.974 1.00 0.00 O ATOM 0 H GLU A 58 5.888 22.075 19.502 1.00 0.00 H new ATOM 0 HA GLU A 58 8.093 21.708 21.316 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.434 20.305 20.862 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.622 19.693 21.996 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.922 22.653 22.153 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.742 21.511 22.765 1.00 0.00 H new ATOM 1007 N MET A 59 7.460 19.485 18.918 1.00 0.00 N ATOM 1008 CA MET A 59 8.063 18.431 18.137 1.00 0.00 C ATOM 1009 C MET A 59 9.206 18.987 17.295 1.00 0.00 C ATOM 1010 O MET A 59 10.306 18.439 17.306 1.00 0.00 O ATOM 1011 CB MET A 59 7.025 17.780 17.229 1.00 0.00 C ATOM 1012 CG MET A 59 5.734 17.237 17.870 1.00 0.00 C ATOM 1013 SD MET A 59 4.549 16.514 16.699 1.00 0.00 S ATOM 1014 CE MET A 59 4.392 17.857 15.492 1.00 0.00 C ATOM 0 H MET A 59 6.492 19.695 18.672 1.00 0.00 H new ATOM 0 HA MET A 59 8.456 17.678 18.821 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.739 18.511 16.473 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.510 16.955 16.707 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.002 16.481 18.608 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.243 18.048 18.408 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.629 17.599 14.757 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.106 18.775 16.005 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.347 18.006 14.987 1.00 0.00 H new ATOM 1024 N PHE A 60 8.935 20.074 16.568 1.00 0.00 N ATOM 1025 CA PHE A 60 9.887 20.741 15.720 1.00 0.00 C ATOM 1026 C PHE A 60 10.420 21.995 16.459 1.00 0.00 C ATOM 1027 O PHE A 60 9.802 23.050 16.323 1.00 0.00 O ATOM 1028 CB PHE A 60 9.164 21.148 14.436 1.00 0.00 C ATOM 1029 CG PHE A 60 8.534 19.989 13.597 1.00 0.00 C ATOM 1030 CD1 PHE A 60 9.338 19.186 12.749 1.00 0.00 C ATOM 1031 CD2 PHE A 60 7.146 19.679 13.629 1.00 0.00 C ATOM 1032 CE1 PHE A 60 8.799 18.150 11.968 1.00 0.00 C ATOM 1033 CE2 PHE A 60 6.609 18.646 12.837 1.00 0.00 C ATOM 1034 CZ PHE A 60 7.430 17.880 12.005 1.00 0.00 C ATOM 0 H PHE A 60 8.016 20.516 16.563 1.00 0.00 H new ATOM 0 HA PHE A 60 10.728 20.091 15.479 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.372 21.850 14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 60 9.870 21.685 13.802 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.400 19.377 12.702 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.491 20.247 14.273 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.447 17.560 11.336 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.549 18.443 12.873 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.011 17.090 11.399 1.00 0.00 H new ATOM 1044 N PRO A 61 11.529 21.977 17.231 1.00 0.00 N ATOM 1045 CA PRO A 61 11.984 23.187 17.906 1.00 0.00 C ATOM 1046 C PRO A 61 12.660 24.140 16.920 1.00 0.00 C ATOM 1047 O PRO A 61 12.780 25.329 17.190 1.00 0.00 O ATOM 1048 CB PRO A 61 12.924 22.723 19.014 1.00 0.00 C ATOM 1049 CG PRO A 61 13.553 21.473 18.415 1.00 0.00 C ATOM 1050 CD PRO A 61 12.445 20.886 17.536 1.00 0.00 C ATOM 0 HA PRO A 61 11.155 23.754 18.330 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.672 23.478 19.253 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.386 22.504 19.936 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.441 21.714 17.830 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.862 20.771 19.190 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.860 20.463 16.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.927 20.079 18.054 1.00 0.00 H new ATOM 1058 N ILE A 62 13.078 23.622 15.764 1.00 0.00 N ATOM 1059 CA ILE A 62 13.695 24.365 14.685 1.00 0.00 C ATOM 1060 C ILE A 62 12.637 25.281 14.096 1.00 0.00 C ATOM 1061 O ILE A 62 12.887 26.463 13.864 1.00 0.00 O ATOM 1062 CB ILE A 62 14.205 23.398 13.617 1.00 0.00 C ATOM 1063 CG1 ILE A 62 15.150 22.302 14.146 1.00 0.00 C ATOM 1064 CG2 ILE A 62 14.783 24.131 12.420 1.00 0.00 C ATOM 1065 CD1 ILE A 62 16.374 22.847 14.888 1.00 0.00 C ATOM 0 H ILE A 62 12.988 22.628 15.554 1.00 0.00 H new ATOM 0 HA ILE A 62 14.541 24.947 15.051 1.00 0.00 H new ATOM 0 HB ILE A 62 13.322 22.857 13.278 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.593 21.647 14.816 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.487 21.690 13.309 1.00 0.00 H new ATOM 0 HG21 ILE A 62 15.134 23.407 11.685 1.00 0.00 H new ATOM 0 HG22 ILE A 62 14.013 24.759 11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 62 15.617 24.754 12.743 1.00 0.00 H new ATOM 0 HD11 ILE A 62 16.991 22.017 15.230 1.00 0.00 H new ATOM 0 HD12 ILE A 62 16.955 23.479 14.216 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.048 23.434 15.746 1.00 0.00 H new ATOM 1077 N GLU A 63 11.433 24.742 13.893 1.00 0.00 N ATOM 1078 CA GLU A 63 10.328 25.531 13.384 1.00 0.00 C ATOM 1079 C GLU A 63 9.954 26.625 14.396 1.00 0.00 C ATOM 1080 O GLU A 63 9.142 27.499 14.089 1.00 0.00 O ATOM 1081 CB GLU A 63 9.140 24.625 13.075 1.00 0.00 C ATOM 1082 CG GLU A 63 9.221 23.880 11.732 1.00 0.00 C ATOM 1083 CD GLU A 63 10.476 23.045 11.490 1.00 0.00 C ATOM 1084 OE1 GLU A 63 11.546 23.652 11.278 1.00 0.00 O ATOM 1085 OE2 GLU A 63 10.332 21.805 11.467 1.00 0.00 O ATOM 0 H GLU A 63 11.207 23.764 14.075 1.00 0.00 H new ATOM 0 HA GLU A 63 10.627 26.020 12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.045 23.891 13.875 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.231 25.227 13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.354 23.224 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.139 24.613 10.930 1.00 0.00 H new ATOM 1092 N ALA A 64 10.558 26.586 15.593 1.00 0.00 N ATOM 1093 CA ALA A 64 10.372 27.543 16.657 1.00 0.00 C ATOM 1094 C ALA A 64 11.706 28.061 17.165 1.00 0.00 C ATOM 1095 O ALA A 64 11.826 28.436 18.329 1.00 0.00 O ATOM 1096 CB ALA A 64 9.582 26.893 17.787 1.00 0.00 C ATOM 0 H ALA A 64 11.216 25.847 15.842 1.00 0.00 H new ATOM 0 HA ALA A 64 9.814 28.396 16.271 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.440 27.613 18.593 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.610 26.570 17.413 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.130 26.030 18.165 1.00 0.00 H new ATOM 1102 N GLY A 65 12.708 28.080 16.286 1.00 0.00 N ATOM 1103 CA GLY A 65 14.028 28.526 16.643 1.00 0.00 C ATOM 1104 C GLY A 65 14.793 29.010 15.437 1.00 0.00 C ATOM 1105 O GLY A 65 15.260 30.146 15.430 1.00 0.00 O ATOM 0 H GLY A 65 12.615 27.785 15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.956 29.330 17.376 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.573 27.710 17.117 1.00 0.00 H new ATOM 1109 N ALA A 66 14.905 28.164 14.412 1.00 0.00 N ATOM 1110 CA ALA A 66 15.576 28.563 13.195 1.00 0.00 C ATOM 1111 C ALA A 66 14.599 29.288 12.292 1.00 0.00 C ATOM 1112 O ALA A 66 15.008 30.046 11.414 1.00 0.00 O ATOM 1113 CB ALA A 66 16.223 27.377 12.485 1.00 0.00 C ATOM 0 H ALA A 66 14.541 27.211 14.408 1.00 0.00 H new ATOM 0 HA ALA A 66 16.387 29.243 13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.716 27.722 11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 66 16.959 26.916 13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.457 26.645 12.227 1.00 0.00 H new ATOM 1119 N ILE A 67 13.308 29.047 12.530 1.00 0.00 N ATOM 1120 CA ILE A 67 12.238 29.658 11.754 1.00 0.00 C ATOM 1121 C ILE A 67 11.525 30.729 12.575 1.00 0.00 C ATOM 1122 O ILE A 67 10.557 31.320 12.130 1.00 0.00 O ATOM 1123 CB ILE A 67 11.342 28.550 11.175 1.00 0.00 C ATOM 1124 CG1 ILE A 67 12.268 27.479 10.547 1.00 0.00 C ATOM 1125 CG2 ILE A 67 10.378 29.088 10.109 1.00 0.00 C ATOM 1126 CD1 ILE A 67 11.589 26.468 9.626 1.00 0.00 C ATOM 0 H ILE A 67 12.980 28.422 13.267 1.00 0.00 H new ATOM 0 HA ILE A 67 12.628 30.201 10.893 1.00 0.00 H new ATOM 0 HB ILE A 67 10.732 28.131 11.975 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.049 27.988 9.983 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.760 26.934 11.353 1.00 0.00 H new ATOM 0 HG21 ILE A 67 9.765 28.272 9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.735 29.849 10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.949 29.526 9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.332 25.768 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.828 25.922 10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.122 26.992 8.792 1.00 0.00 H new ATOM 1138 N ASN A 68 12.021 31.033 13.771 1.00 0.00 N ATOM 1139 CA ASN A 68 11.408 32.045 14.622 1.00 0.00 C ATOM 1140 C ASN A 68 11.909 33.475 14.405 1.00 0.00 C ATOM 1141 O ASN A 68 11.059 34.342 14.246 1.00 0.00 O ATOM 1142 CB ASN A 68 11.419 31.622 16.099 1.00 0.00 C ATOM 1143 CG ASN A 68 9.998 31.461 16.638 1.00 0.00 C ATOM 1144 OD1 ASN A 68 9.142 30.750 15.900 1.00 0.00 O flip ATOM 1145 ND2 ASN A 68 9.667 31.982 17.698 1.00 0.00 N flip ATOM 0 H ASN A 68 12.848 30.591 14.172 1.00 0.00 H new ATOM 0 HA ASN A 68 10.369 32.094 14.298 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.960 30.682 16.207 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.953 32.367 16.689 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.347 32.519 18.237 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.712 31.879 18.041 1.00 0.00 H new ATOM 1152 N PRO A 69 13.208 33.792 14.387 1.00 0.00 N ATOM 1153 CA PRO A 69 13.674 35.156 14.196 1.00 0.00 C ATOM 1154 C PRO A 69 13.558 35.651 12.762 1.00 0.00 C ATOM 1155 O PRO A 69 12.951 36.692 12.506 1.00 0.00 O ATOM 1156 CB PRO A 69 15.106 35.172 14.735 1.00 0.00 C ATOM 1157 CG PRO A 69 15.588 33.735 14.511 1.00 0.00 C ATOM 1158 CD PRO A 69 14.313 32.886 14.592 1.00 0.00 C ATOM 0 HA PRO A 69 13.042 35.862 14.734 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.728 35.892 14.202 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.135 35.445 15.790 1.00 0.00 H new ATOM 0 HG2 PRO A 69 16.076 33.626 13.543 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.313 33.437 15.269 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.319 32.103 13.834 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.236 32.392 15.561 1.00 0.00 H new ATOM 1166 N GLU A 70 14.138 34.905 11.832 1.00 0.00 N ATOM 1167 CA GLU A 70 14.106 35.234 10.418 1.00 0.00 C ATOM 1168 C GLU A 70 12.686 35.180 9.894 1.00 0.00 C ATOM 1169 O GLU A 70 12.324 35.971 9.025 1.00 0.00 O ATOM 1170 CB GLU A 70 15.025 34.278 9.635 1.00 0.00 C ATOM 1171 CG GLU A 70 16.355 35.056 9.511 1.00 0.00 C ATOM 1172 CD GLU A 70 17.462 34.168 8.959 1.00 0.00 C ATOM 1173 OE1 GLU A 70 17.944 33.320 9.740 1.00 0.00 O ATOM 1174 OE2 GLU A 70 17.800 34.345 7.769 1.00 0.00 O ATOM 0 H GLU A 70 14.648 34.047 12.042 1.00 0.00 H new ATOM 0 HA GLU A 70 14.473 36.251 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.162 33.334 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.610 34.038 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.216 35.917 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.647 35.441 10.488 1.00 0.00 H new ATOM 1181 N ASN A 71 11.889 34.260 10.440 1.00 0.00 N ATOM 1182 CA ASN A 71 10.502 34.117 10.062 1.00 0.00 C ATOM 1183 C ASN A 71 9.625 34.535 11.239 1.00 0.00 C ATOM 1184 O ASN A 71 8.618 33.890 11.508 1.00 0.00 O ATOM 1185 CB ASN A 71 10.231 32.694 9.514 1.00 0.00 C ATOM 1186 CG ASN A 71 9.490 32.714 8.181 1.00 0.00 C ATOM 1187 OD1 ASN A 71 9.877 33.418 7.253 1.00 0.00 O ATOM 1188 ND2 ASN A 71 8.424 31.923 8.066 1.00 0.00 N ATOM 0 H ASN A 71 12.196 33.600 11.154 1.00 0.00 H new ATOM 0 HA ASN A 71 10.246 34.781 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.178 32.168 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.647 32.132 10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.905 31.891 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.127 31.349 8.855 1.00 0.00 H new ATOM 1195 N ARG A 72 9.981 35.644 11.912 1.00 0.00 N ATOM 1196 CA ARG A 72 9.189 36.228 13.002 1.00 0.00 C ATOM 1197 C ARG A 72 7.968 36.952 12.410 1.00 0.00 C ATOM 1198 O ARG A 72 7.741 38.135 12.657 1.00 0.00 O ATOM 1199 CB ARG A 72 10.050 37.191 13.840 1.00 0.00 C ATOM 1200 CG ARG A 72 9.436 37.500 15.212 1.00 0.00 C ATOM 1201 CD ARG A 72 10.398 38.328 16.075 1.00 0.00 C ATOM 1202 NE ARG A 72 10.632 39.670 15.515 1.00 0.00 N ATOM 1203 CZ ARG A 72 11.645 40.039 14.709 1.00 0.00 C ATOM 1204 NH1 ARG A 72 12.555 39.154 14.281 1.00 0.00 N ATOM 1205 NH2 ARG A 72 11.737 41.316 14.318 1.00 0.00 N ATOM 0 H ARG A 72 10.836 36.163 11.710 1.00 0.00 H new ATOM 0 HA ARG A 72 8.843 35.434 13.664 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.040 36.757 13.980 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.185 38.122 13.290 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.501 38.044 15.081 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.194 36.568 15.724 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.991 38.422 17.082 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.349 37.802 16.163 1.00 0.00 H new ATOM 0 HE ARG A 72 9.958 40.394 15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.489 38.177 14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.314 39.457 13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.044 41.996 14.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.500 41.609 13.707 1.00 0.00 H new ATOM 1219 N ILE A 73 7.189 36.215 11.618 1.00 0.00 N ATOM 1220 CA ILE A 73 5.979 36.600 10.924 1.00 0.00 C ATOM 1221 C ILE A 73 5.021 35.390 10.923 1.00 0.00 C ATOM 1222 O ILE A 73 4.135 35.286 10.077 1.00 0.00 O ATOM 1223 CB ILE A 73 6.298 37.186 9.523 1.00 0.00 C ATOM 1224 CG1 ILE A 73 7.434 36.486 8.737 1.00 0.00 C ATOM 1225 CG2 ILE A 73 6.525 38.702 9.605 1.00 0.00 C ATOM 1226 CD1 ILE A 73 8.848 37.099 8.844 1.00 0.00 C ATOM 0 H ILE A 73 7.420 35.239 11.434 1.00 0.00 H new ATOM 0 HA ILE A 73 5.469 37.415 11.438 1.00 0.00 H new ATOM 0 HB ILE A 73 5.407 36.978 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.488 35.450 9.072 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.153 36.466 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.747 39.091 8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.627 39.184 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.363 38.909 10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.545 36.512 8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.829 38.125 8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.169 37.094 9.886 1.00 0.00 H new ATOM 1238 N ILE A 74 5.183 34.488 11.905 1.00 0.00 N ATOM 1239 CA ILE A 74 4.332 33.324 12.142 1.00 0.00 C ATOM 1240 C ILE A 74 3.270 33.870 13.113 1.00 0.00 C ATOM 1241 O ILE A 74 3.626 34.692 13.961 1.00 0.00 O ATOM 1242 CB ILE A 74 5.141 32.163 12.775 1.00 0.00 C ATOM 1243 CG1 ILE A 74 6.314 31.654 11.909 1.00 0.00 C ATOM 1244 CG2 ILE A 74 4.212 30.972 13.058 1.00 0.00 C ATOM 1245 CD1 ILE A 74 7.510 31.147 12.745 1.00 0.00 C ATOM 0 H ILE A 74 5.944 34.558 12.580 1.00 0.00 H new ATOM 0 HA ILE A 74 3.902 32.906 11.232 1.00 0.00 H new ATOM 0 HB ILE A 74 5.568 32.577 13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.960 30.848 11.266 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.651 32.458 11.255 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.787 30.160 13.503 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.426 31.280 13.747 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.764 30.631 12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.301 30.803 12.078 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.888 31.957 13.368 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.187 30.322 13.380 1.00 0.00 H new ATOM 1257 N PRO A 75 1.981 33.485 13.030 1.00 0.00 N ATOM 1258 CA PRO A 75 0.944 34.037 13.887 1.00 0.00 C ATOM 1259 C PRO A 75 0.962 33.468 15.313 1.00 0.00 C ATOM 1260 O PRO A 75 -0.024 32.910 15.795 1.00 0.00 O ATOM 1261 CB PRO A 75 -0.372 33.759 13.168 1.00 0.00 C ATOM 1262 CG PRO A 75 -0.074 32.422 12.513 1.00 0.00 C ATOM 1263 CD PRO A 75 1.385 32.560 12.092 1.00 0.00 C ATOM 0 HA PRO A 75 1.102 35.105 14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.214 33.701 13.858 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.612 34.531 12.437 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.217 31.593 13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.725 32.238 11.658 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.892 31.596 12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.464 32.934 11.071 1.00 0.00 H new ATOM 1271 N HIS A 76 2.092 33.623 16.004 1.00 0.00 N ATOM 1272 CA HIS A 76 2.306 33.174 17.373 1.00 0.00 C ATOM 1273 C HIS A 76 1.768 34.249 18.323 1.00 0.00 C ATOM 1274 O HIS A 76 2.529 34.881 19.054 1.00 0.00 O ATOM 1275 CB HIS A 76 3.795 32.840 17.583 1.00 0.00 C ATOM 1276 CG HIS A 76 4.772 33.833 16.997 1.00 0.00 C ATOM 1277 ND1 HIS A 76 4.644 35.203 17.159 1.00 0.00 N ATOM 1278 CD2 HIS A 76 5.906 33.666 16.239 1.00 0.00 C ATOM 1279 CE1 HIS A 76 5.669 35.781 16.509 1.00 0.00 C ATOM 1280 NE2 HIS A 76 6.478 34.895 15.925 1.00 0.00 N ATOM 0 H HIS A 76 2.912 34.082 15.607 1.00 0.00 H new ATOM 0 HA HIS A 76 1.762 32.254 17.586 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.984 32.759 18.653 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.995 31.860 17.149 1.00 0.00 H new ATOM 0 HD1 HIS A 76 3.908 35.684 17.676 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.300 32.710 15.929 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.822 36.849 16.464 1.00 0.00 H new ATOM 1288 N LEU A 77 0.447 34.463 18.290 1.00 0.00 N ATOM 1289 CA LEU A 77 -0.260 35.453 19.096 1.00 0.00 C ATOM 1290 C LEU A 77 -0.883 34.787 20.335 1.00 0.00 C ATOM 1291 O LEU A 77 -1.113 33.578 20.330 1.00 0.00 O ATOM 1292 CB LEU A 77 -1.320 36.137 18.219 1.00 0.00 C ATOM 1293 CG LEU A 77 -0.787 37.350 17.436 1.00 0.00 C ATOM 1294 CD1 LEU A 77 0.321 36.977 16.446 1.00 0.00 C ATOM 1295 CD2 LEU A 77 -1.939 38.002 16.661 1.00 0.00 C ATOM 0 H LEU A 77 -0.175 33.932 17.680 1.00 0.00 H new ATOM 0 HA LEU A 77 0.435 36.211 19.458 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.721 35.408 17.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.148 36.459 18.850 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.362 38.039 18.166 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.658 37.872 15.923 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.158 36.536 16.986 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.064 36.258 15.723 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.563 38.861 16.106 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.365 37.279 15.966 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.708 38.330 17.360 1.00 0.00 H new ATOM 1307 N PRO A 78 -1.147 35.560 21.406 1.00 0.00 N ATOM 1308 CA PRO A 78 -1.705 35.065 22.662 1.00 0.00 C ATOM 1309 C PRO A 78 -3.186 34.670 22.566 1.00 0.00 C ATOM 1310 O PRO A 78 -3.791 34.721 21.497 1.00 0.00 O ATOM 1311 CB PRO A 78 -1.486 36.209 23.662 1.00 0.00 C ATOM 1312 CG PRO A 78 -1.567 37.454 22.783 1.00 0.00 C ATOM 1313 CD PRO A 78 -0.891 36.990 21.496 1.00 0.00 C ATOM 0 HA PRO A 78 -1.213 34.141 22.965 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.248 36.215 24.441 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.520 36.129 24.161 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.598 37.764 22.612 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.049 38.302 23.231 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.296 37.515 20.631 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.179 37.195 21.521 1.00 0.00 H new ATOM 1321 N ALA A 79 -3.751 34.277 23.717 1.00 0.00 N ATOM 1322 CA ALA A 79 -5.135 33.855 23.904 1.00 0.00 C ATOM 1323 C ALA A 79 -6.061 35.064 24.089 1.00 0.00 C ATOM 1324 O ALA A 79 -5.593 36.120 24.496 1.00 0.00 O ATOM 1325 CB ALA A 79 -5.177 32.913 25.110 1.00 0.00 C ATOM 0 H ALA A 79 -3.220 34.246 24.587 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.495 33.331 23.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.201 32.580 25.276 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.541 32.049 24.919 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.819 33.439 25.995 1.00 0.00 H new ATOM 1430 N GLN A 86 -13.494 43.620 23.031 1.00 0.00 N ATOM 1431 CA GLN A 86 -13.255 43.677 21.588 1.00 0.00 C ATOM 1432 C GLN A 86 -11.862 43.172 21.214 1.00 0.00 C ATOM 1433 O GLN A 86 -11.638 42.772 20.074 1.00 0.00 O ATOM 1434 CB GLN A 86 -13.493 45.096 21.059 1.00 0.00 C ATOM 1435 CG GLN A 86 -14.958 45.521 21.220 1.00 0.00 C ATOM 1436 CD GLN A 86 -15.214 46.878 20.569 1.00 0.00 C ATOM 1437 OE1 GLN A 86 -15.845 46.958 19.520 1.00 0.00 O ATOM 1438 NE2 GLN A 86 -14.724 47.952 21.187 1.00 0.00 N ATOM 0 HA GLN A 86 -13.970 43.007 21.111 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.850 45.796 21.592 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.213 45.144 20.007 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -15.609 44.771 20.771 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -15.211 45.569 22.279 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.204 47.846 22.058 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.869 48.880 20.789 1.00 0.00 H new ATOM 1447 N ARG A 87 -10.943 43.155 22.184 1.00 0.00 N ATOM 1448 CA ARG A 87 -9.580 42.684 22.005 1.00 0.00 C ATOM 1449 C ARG A 87 -9.487 41.186 22.281 1.00 0.00 C ATOM 1450 O ARG A 87 -8.457 40.580 22.008 1.00 0.00 O ATOM 1451 CB ARG A 87 -8.660 43.479 22.952 1.00 0.00 C ATOM 1452 CG ARG A 87 -8.252 44.819 22.331 1.00 0.00 C ATOM 1453 CD ARG A 87 -7.678 45.725 23.424 1.00 0.00 C ATOM 1454 NE ARG A 87 -7.096 46.957 22.883 1.00 0.00 N ATOM 1455 CZ ARG A 87 -6.616 47.953 23.647 1.00 0.00 C ATOM 1456 NH1 ARG A 87 -6.671 47.868 24.985 1.00 0.00 N ATOM 1457 NH2 ARG A 87 -6.081 49.037 23.071 1.00 0.00 N ATOM 0 H ARG A 87 -11.137 43.476 23.132 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.265 42.843 20.974 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.172 43.654 23.898 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.769 42.892 23.175 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.511 44.660 21.547 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.114 45.294 21.863 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.467 45.980 24.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.915 45.180 23.980 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.053 47.064 21.870 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.079 47.044 25.427 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.305 48.627 25.560 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.038 49.106 22.054 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.716 49.794 23.649 1.00 0.00 H new ATOM 1471 N ALA A 88 -10.578 40.578 22.752 1.00 0.00 N ATOM 1472 CA ALA A 88 -10.694 39.141 22.927 1.00 0.00 C ATOM 1473 C ALA A 88 -11.237 38.612 21.605 1.00 0.00 C ATOM 1474 O ALA A 88 -10.831 37.561 21.115 1.00 0.00 O ATOM 1475 CB ALA A 88 -11.609 38.777 24.092 1.00 0.00 C ATOM 0 H ALA A 88 -11.418 41.087 23.026 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.730 38.697 23.174 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.666 37.692 24.185 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.210 39.200 25.014 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.606 39.178 23.911 1.00 0.00 H new ATOM 1481 N ALA A 89 -12.146 39.392 21.019 1.00 0.00 N ATOM 1482 CA ALA A 89 -12.749 39.094 19.739 1.00 0.00 C ATOM 1483 C ALA A 89 -11.649 39.148 18.690 1.00 0.00 C ATOM 1484 O ALA A 89 -11.311 38.130 18.101 1.00 0.00 O ATOM 1485 CB ALA A 89 -13.902 40.060 19.450 1.00 0.00 C ATOM 0 H ALA A 89 -12.483 40.260 21.435 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.192 38.098 19.731 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.344 39.820 18.483 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.659 39.966 20.228 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.525 41.082 19.433 1.00 0.00 H new ATOM 1491 N GLU A 90 -11.082 40.334 18.485 1.00 0.00 N ATOM 1492 CA GLU A 90 -10.010 40.609 17.529 1.00 0.00 C ATOM 1493 C GLU A 90 -8.727 39.804 17.759 1.00 0.00 C ATOM 1494 O GLU A 90 -7.913 39.694 16.843 1.00 0.00 O ATOM 1495 CB GLU A 90 -9.755 42.124 17.548 1.00 0.00 C ATOM 1496 CG GLU A 90 -8.734 42.625 16.522 1.00 0.00 C ATOM 1497 CD GLU A 90 -8.581 44.139 16.621 1.00 0.00 C ATOM 1498 OE1 GLU A 90 -7.994 44.582 17.632 1.00 0.00 O ATOM 1499 OE2 GLU A 90 -9.065 44.825 15.694 1.00 0.00 O ATOM 0 H GLU A 90 -11.368 41.166 19.002 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.337 40.280 16.543 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.701 42.638 17.377 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.414 42.407 18.544 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.771 42.144 16.693 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.054 42.350 15.517 1.00 0.00 H new ATOM 1506 N ASN A 91 -8.525 39.221 18.945 1.00 0.00 N ATOM 1507 CA ASN A 91 -7.331 38.427 19.200 1.00 0.00 C ATOM 1508 C ASN A 91 -7.526 37.140 18.426 1.00 0.00 C ATOM 1509 O ASN A 91 -6.785 36.870 17.487 1.00 0.00 O ATOM 1510 CB ASN A 91 -7.152 38.119 20.707 1.00 0.00 C ATOM 1511 CG ASN A 91 -6.150 36.990 20.924 1.00 0.00 C ATOM 1512 OD1 ASN A 91 -6.540 35.835 21.064 1.00 0.00 O ATOM 1513 ND2 ASN A 91 -4.856 37.304 20.937 1.00 0.00 N ATOM 0 H ASN A 91 -9.169 39.286 19.733 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.436 38.968 18.892 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.812 39.015 21.226 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.113 37.844 21.141 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.155 36.574 21.066 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.565 38.274 20.818 1.00 0.00 H new ATOM 1520 N ARG A 92 -8.528 36.345 18.810 1.00 0.00 N ATOM 1521 CA ARG A 92 -8.778 35.095 18.124 1.00 0.00 C ATOM 1522 C ARG A 92 -9.237 35.324 16.689 1.00 0.00 C ATOM 1523 O ARG A 92 -8.957 34.492 15.829 1.00 0.00 O ATOM 1524 CB ARG A 92 -9.690 34.175 18.953 1.00 0.00 C ATOM 1525 CG ARG A 92 -11.152 34.632 19.096 1.00 0.00 C ATOM 1526 CD ARG A 92 -12.069 33.940 18.077 1.00 0.00 C ATOM 1527 NE ARG A 92 -13.454 34.423 18.171 1.00 0.00 N ATOM 1528 CZ ARG A 92 -14.564 33.754 17.804 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -14.537 32.442 17.531 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -15.714 34.430 17.696 1.00 0.00 N ATOM 0 H ARG A 92 -9.165 36.548 19.581 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.837 34.553 18.031 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.682 33.183 18.500 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.262 34.074 19.950 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.503 34.417 20.105 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.210 35.712 18.962 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.691 34.116 17.070 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.048 32.863 18.242 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.588 35.359 18.553 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.660 31.925 17.599 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.393 31.961 17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.737 35.431 17.890 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.567 33.944 17.420 1.00 0.00 H new ATOM 1544 N GLN A 93 -9.921 36.443 16.426 1.00 0.00 N ATOM 1545 CA GLN A 93 -10.433 36.761 15.091 1.00 0.00 C ATOM 1546 C GLN A 93 -9.387 37.417 14.190 1.00 0.00 C ATOM 1547 O GLN A 93 -9.698 37.765 13.054 1.00 0.00 O ATOM 1548 CB GLN A 93 -11.731 37.575 15.162 1.00 0.00 C ATOM 1549 CG GLN A 93 -12.829 36.749 15.849 1.00 0.00 C ATOM 1550 CD GLN A 93 -14.056 37.536 16.301 1.00 0.00 C ATOM 1551 OE1 GLN A 93 -14.769 37.082 17.198 1.00 0.00 O ATOM 1552 NE2 GLN A 93 -14.318 38.698 15.705 1.00 0.00 N ATOM 0 H GLN A 93 -10.134 37.150 17.130 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.674 35.808 14.619 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.561 38.500 15.713 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.050 37.856 14.158 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.153 35.966 15.163 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.397 36.253 16.718 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -13.705 39.042 14.966 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.132 39.244 15.988 1.00 0.00 H new ATOM 1561 N GLY A 94 -8.153 37.557 14.680 1.00 0.00 N ATOM 1562 CA GLY A 94 -7.016 38.086 13.942 1.00 0.00 C ATOM 1563 C GLY A 94 -5.985 36.965 13.835 1.00 0.00 C ATOM 1564 O GLY A 94 -5.466 36.696 12.758 1.00 0.00 O ATOM 0 H GLY A 94 -7.915 37.294 15.636 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.323 38.422 12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.593 38.950 14.455 1.00 0.00 H new ATOM 1568 N THR A 95 -5.707 36.295 14.957 1.00 0.00 N ATOM 1569 CA THR A 95 -4.773 35.186 15.066 1.00 0.00 C ATOM 1570 C THR A 95 -5.214 34.024 14.213 1.00 0.00 C ATOM 1571 O THR A 95 -4.410 33.490 13.458 1.00 0.00 O ATOM 1572 CB THR A 95 -4.663 34.747 16.538 1.00 0.00 C ATOM 1573 OG1 THR A 95 -4.229 35.830 17.328 1.00 0.00 O ATOM 1574 CG2 THR A 95 -3.722 33.548 16.751 1.00 0.00 C ATOM 0 H THR A 95 -6.148 36.525 15.847 1.00 0.00 H new ATOM 0 HA THR A 95 -3.797 35.517 14.710 1.00 0.00 H new ATOM 0 HB THR A 95 -5.659 34.424 16.840 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.993 36.404 17.544 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.692 33.293 17.810 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.087 32.693 16.182 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.719 33.808 16.412 1.00 0.00 H new ATOM 1582 N LEU A 96 -6.482 33.631 14.320 1.00 0.00 N ATOM 1583 CA LEU A 96 -6.955 32.534 13.501 1.00 0.00 C ATOM 1584 C LEU A 96 -7.045 33.006 12.057 1.00 0.00 C ATOM 1585 O LEU A 96 -6.594 32.316 11.151 1.00 0.00 O ATOM 1586 CB LEU A 96 -8.229 31.943 14.073 1.00 0.00 C ATOM 1587 CG LEU A 96 -8.876 30.880 13.179 1.00 0.00 C ATOM 1588 CD1 LEU A 96 -9.568 31.580 12.034 1.00 0.00 C ATOM 1589 CD2 LEU A 96 -8.044 29.726 12.618 1.00 0.00 C ATOM 0 H LEU A 96 -7.174 34.044 14.945 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.252 31.701 13.509 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.009 31.501 15.045 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.946 32.746 14.243 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.531 30.360 13.878 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.036 30.840 11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.331 32.253 12.426 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.838 32.153 11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.679 29.081 12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.238 30.125 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.621 29.149 13.440 1.00 0.00 H new ATOM 1601 N THR A 97 -7.611 34.194 11.857 1.00 0.00 N ATOM 1602 CA THR A 97 -7.756 34.837 10.552 1.00 0.00 C ATOM 1603 C THR A 97 -6.437 34.901 9.805 1.00 0.00 C ATOM 1604 O THR A 97 -6.418 34.763 8.582 1.00 0.00 O ATOM 1605 CB THR A 97 -8.380 36.227 10.744 1.00 0.00 C ATOM 1606 OG1 THR A 97 -9.768 36.070 10.951 1.00 0.00 O ATOM 1607 CG2 THR A 97 -8.107 37.226 9.623 1.00 0.00 C ATOM 0 H THR A 97 -7.993 34.753 12.620 1.00 0.00 H new ATOM 0 HA THR A 97 -8.421 34.237 9.931 1.00 0.00 H new ATOM 0 HB THR A 97 -7.895 36.669 11.614 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.048 36.614 11.717 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.591 38.175 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.032 37.381 9.527 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.503 36.837 8.685 1.00 0.00 H new ATOM 1615 N GLU A 98 -5.341 35.071 10.538 1.00 0.00 N ATOM 1616 CA GLU A 98 -4.039 35.123 9.926 1.00 0.00 C ATOM 1617 C GLU A 98 -3.524 33.708 9.851 1.00 0.00 C ATOM 1618 O GLU A 98 -2.917 33.366 8.842 1.00 0.00 O ATOM 1619 CB GLU A 98 -3.113 36.074 10.694 1.00 0.00 C ATOM 1620 CG GLU A 98 -1.882 36.417 9.856 1.00 0.00 C ATOM 1621 CD GLU A 98 -0.888 37.261 10.644 1.00 0.00 C ATOM 1622 OE1 GLU A 98 -1.153 38.475 10.774 1.00 0.00 O ATOM 1623 OE2 GLU A 98 0.111 36.672 11.112 1.00 0.00 O ATOM 0 H GLU A 98 -5.339 35.174 11.553 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.086 35.531 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.651 36.987 10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.804 35.612 11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.398 35.498 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.189 36.956 8.960 1.00 0.00 H new ATOM 1630 N TYR A 99 -3.790 32.864 10.854 1.00 0.00 N ATOM 1631 CA TYR A 99 -3.325 31.496 10.722 1.00 0.00 C ATOM 1632 C TYR A 99 -3.904 30.822 9.518 1.00 0.00 C ATOM 1633 O TYR A 99 -3.164 30.130 8.872 1.00 0.00 O ATOM 1634 CB TYR A 99 -3.492 30.506 11.893 1.00 0.00 C ATOM 1635 CG TYR A 99 -2.310 29.504 12.094 1.00 0.00 C ATOM 1636 CD1 TYR A 99 -1.103 29.548 11.332 1.00 0.00 C ATOM 1637 CD2 TYR A 99 -2.415 28.497 13.082 1.00 0.00 C ATOM 1638 CE1 TYR A 99 -0.054 28.638 11.565 1.00 0.00 C ATOM 1639 CE2 TYR A 99 -1.362 27.580 13.312 1.00 0.00 C ATOM 1640 CZ TYR A 99 -0.200 27.656 12.537 1.00 0.00 C ATOM 1641 OH TYR A 99 0.809 26.765 12.688 1.00 0.00 O ATOM 0 H TYR A 99 -4.293 33.091 11.712 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.254 31.692 10.662 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.624 31.076 12.813 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.408 29.936 11.737 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.992 30.295 10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.317 28.427 13.672 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.859 28.703 10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.455 26.827 14.080 1.00 0.00 H new ATOM 0 HH TYR A 99 1.011 26.658 13.641 1.00 0.00 H new ATOM 1651 N CYS A 100 -5.176 30.967 9.181 1.00 0.00 N ATOM 1652 CA CYS A 100 -5.666 30.269 7.999 1.00 0.00 C ATOM 1653 C CYS A 100 -4.861 30.681 6.778 1.00 0.00 C ATOM 1654 O CYS A 100 -4.401 29.831 6.015 1.00 0.00 O ATOM 1655 CB CYS A 100 -7.156 30.509 7.786 1.00 0.00 C ATOM 1656 SG CYS A 100 -7.735 29.368 6.503 1.00 0.00 S ATOM 0 H CYS A 100 -5.862 31.533 9.681 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.534 29.198 8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -7.704 30.347 8.714 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.336 31.541 7.486 1.00 0.00 H new ATOM 0 HG CYS A 100 -6.738 29.031 5.740 1.00 0.00 H new ATOM 1662 N SER A 101 -4.665 31.990 6.621 1.00 0.00 N ATOM 1663 CA SER A 101 -3.881 32.492 5.500 1.00 0.00 C ATOM 1664 C SER A 101 -2.406 32.076 5.541 1.00 0.00 C ATOM 1665 O SER A 101 -1.787 31.892 4.495 1.00 0.00 O ATOM 1666 CB SER A 101 -4.015 34.017 5.455 1.00 0.00 C ATOM 1667 OG SER A 101 -5.381 34.374 5.383 1.00 0.00 O ATOM 0 H SER A 101 -5.032 32.708 7.245 1.00 0.00 H new ATOM 0 HA SER A 101 -4.280 32.042 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.560 34.458 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.480 34.413 4.592 1.00 0.00 H new ATOM 0 HG SER A 101 -5.463 35.350 5.356 1.00 0.00 H new ATOM 1673 N THR A 102 -1.838 31.953 6.741 1.00 0.00 N ATOM 1674 CA THR A 102 -0.440 31.645 7.001 1.00 0.00 C ATOM 1675 C THR A 102 -0.117 30.153 7.057 1.00 0.00 C ATOM 1676 O THR A 102 0.954 29.763 6.615 1.00 0.00 O ATOM 1677 CB THR A 102 0.032 32.516 8.182 1.00 0.00 C ATOM 1678 OG1 THR A 102 -0.239 33.863 7.855 1.00 0.00 O ATOM 1679 CG2 THR A 102 1.519 32.439 8.498 1.00 0.00 C ATOM 0 H THR A 102 -2.374 32.073 7.601 1.00 0.00 H new ATOM 0 HA THR A 102 0.171 31.921 6.141 1.00 0.00 H new ATOM 0 HB THR A 102 -0.499 32.141 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.195 34.042 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.745 33.088 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.785 31.412 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.093 32.762 7.629 1.00 0.00 H new ATOM 1687 N LEU A 103 -1.030 29.305 7.522 1.00 0.00 N ATOM 1688 CA LEU A 103 -0.898 27.844 7.547 1.00 0.00 C ATOM 1689 C LEU A 103 -0.818 27.444 6.070 1.00 0.00 C ATOM 1690 O LEU A 103 -0.146 26.476 5.724 1.00 0.00 O ATOM 1691 CB LEU A 103 -2.095 27.174 8.294 1.00 0.00 C ATOM 1692 CG LEU A 103 -1.921 26.324 9.585 1.00 0.00 C ATOM 1693 CD1 LEU A 103 -3.247 26.188 10.347 1.00 0.00 C ATOM 1694 CD2 LEU A 103 -1.411 24.883 9.390 1.00 0.00 C ATOM 0 H LEU A 103 -1.918 29.625 7.908 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.018 27.509 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.791 27.975 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.593 26.533 7.567 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.161 26.887 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.091 25.589 11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.607 27.177 10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.985 25.702 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.330 24.391 10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.110 24.332 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.432 24.905 8.912 1.00 0.00 H new ATOM 1706 N MET A 104 -1.484 28.218 5.196 1.00 0.00 N ATOM 1707 CA MET A 104 -1.515 28.037 3.767 1.00 0.00 C ATOM 1708 C MET A 104 -0.365 28.700 3.010 1.00 0.00 C ATOM 1709 O MET A 104 -0.275 28.512 1.797 1.00 0.00 O ATOM 1710 CB MET A 104 -2.833 28.637 3.249 1.00 0.00 C ATOM 1711 CG MET A 104 -4.021 27.693 3.407 1.00 0.00 C ATOM 1712 SD MET A 104 -4.433 26.809 1.886 1.00 0.00 S ATOM 1713 CE MET A 104 -2.861 25.979 1.565 1.00 0.00 C ATOM 0 H MET A 104 -2.036 29.020 5.499 1.00 0.00 H new ATOM 0 HA MET A 104 -1.422 26.966 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.039 29.564 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.719 28.896 2.196 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.800 26.970 4.192 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.890 28.264 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.968 25.317 0.706 1.00 0.00 H new ATOM 0 HE2 MET A 104 -2.093 26.723 1.356 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.573 25.395 2.439 1.00 0.00 H new ATOM 1723 N SER A 105 0.487 29.471 3.691 1.00 0.00 N ATOM 1724 CA SER A 105 1.603 30.186 3.072 1.00 0.00 C ATOM 1725 C SER A 105 2.949 29.677 3.565 1.00 0.00 C ATOM 1726 O SER A 105 3.904 29.713 2.791 1.00 0.00 O ATOM 1727 CB SER A 105 1.484 31.733 3.324 1.00 0.00 C ATOM 1728 OG SER A 105 1.932 32.025 4.630 1.00 0.00 O ATOM 0 H SER A 105 0.419 29.617 4.698 1.00 0.00 H new ATOM 0 HA SER A 105 1.548 29.996 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.078 32.280 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.450 32.055 3.200 1.00 0.00 H new ATOM 0 HG SER A 105 1.861 32.989 4.792 1.00 0.00 H new ATOM 1734 N LEU A 106 3.034 29.224 4.825 1.00 0.00 N ATOM 1735 CA LEU A 106 4.219 28.747 5.468 1.00 0.00 C ATOM 1736 C LEU A 106 5.274 28.107 4.554 1.00 0.00 C ATOM 1737 O LEU A 106 4.928 27.259 3.732 1.00 0.00 O ATOM 1738 CB LEU A 106 3.828 27.866 6.658 1.00 0.00 C ATOM 1739 CG LEU A 106 3.363 28.513 7.984 1.00 0.00 C ATOM 1740 CD1 LEU A 106 3.873 27.657 9.141 1.00 0.00 C ATOM 1741 CD2 LEU A 106 3.836 29.942 8.251 1.00 0.00 C ATOM 0 H LEU A 106 2.219 29.188 5.438 1.00 0.00 H new ATOM 0 HA LEU A 106 4.750 29.629 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.028 27.206 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.686 27.235 6.889 1.00 0.00 H new ATOM 0 HG LEU A 106 2.278 28.564 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.555 28.097 10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.467 26.649 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.962 27.613 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.444 30.282 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.925 29.966 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.476 30.598 7.459 1.00 0.00 H new ATOM 1753 N PRO A 107 6.566 28.498 4.682 1.00 0.00 N ATOM 1754 CA PRO A 107 7.622 27.949 3.846 1.00 0.00 C ATOM 1755 C PRO A 107 8.102 26.607 4.351 1.00 0.00 C ATOM 1756 O PRO A 107 8.898 25.926 3.707 1.00 0.00 O ATOM 1757 CB PRO A 107 8.756 28.952 3.888 1.00 0.00 C ATOM 1758 CG PRO A 107 8.653 29.499 5.312 1.00 0.00 C ATOM 1759 CD PRO A 107 7.153 29.445 5.631 1.00 0.00 C ATOM 0 HA PRO A 107 7.254 27.784 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.722 28.482 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.633 29.736 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.231 28.896 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 107 9.037 30.517 5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.985 29.121 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.698 30.430 5.529 1.00 0.00 H new ATOM 1767 N THR A 108 7.567 26.210 5.496 1.00 0.00 N ATOM 1768 CA THR A 108 7.795 24.943 6.136 1.00 0.00 C ATOM 1769 C THR A 108 6.834 24.001 5.459 1.00 0.00 C ATOM 1770 O THR A 108 6.149 23.252 6.116 1.00 0.00 O ATOM 1771 CB THR A 108 7.460 25.110 7.623 1.00 0.00 C ATOM 1772 OG1 THR A 108 6.409 26.029 7.807 1.00 0.00 O ATOM 1773 CG2 THR A 108 8.657 25.599 8.411 1.00 0.00 C ATOM 0 H THR A 108 6.928 26.804 6.025 1.00 0.00 H new ATOM 0 HA THR A 108 8.818 24.575 6.060 1.00 0.00 H new ATOM 0 HB THR A 108 7.162 24.126 7.985 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.809 25.703 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.383 25.706 9.460 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.471 24.880 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.980 26.564 8.020 1.00 0.00 H new ATOM 1781 N LYS A 109 6.754 24.021 4.136 1.00 0.00 N ATOM 1782 CA LYS A 109 5.810 23.152 3.455 1.00 0.00 C ATOM 1783 C LYS A 109 6.134 21.677 3.643 1.00 0.00 C ATOM 1784 O LYS A 109 5.262 20.837 3.458 1.00 0.00 O ATOM 1785 CB LYS A 109 5.674 23.584 1.969 1.00 0.00 C ATOM 1786 CG LYS A 109 4.384 23.088 1.296 1.00 0.00 C ATOM 1787 CD LYS A 109 4.603 21.828 0.446 1.00 0.00 C ATOM 1788 CE LYS A 109 3.300 21.418 -0.251 1.00 0.00 C ATOM 1789 NZ LYS A 109 3.417 20.086 -0.874 1.00 0.00 N ATOM 0 H LYS A 109 7.317 24.614 3.527 1.00 0.00 H new ATOM 0 HA LYS A 109 4.829 23.270 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.708 24.672 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.532 23.209 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.637 22.879 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.981 23.880 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.378 22.014 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.957 21.013 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.485 21.412 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.045 22.156 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.519 19.839 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.179 20.100 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.636 19.379 -0.143 1.00 0.00 H new ATOM 1803 N ILE A 110 7.362 21.363 4.049 1.00 0.00 N ATOM 1804 CA ILE A 110 7.783 19.990 4.294 1.00 0.00 C ATOM 1805 C ILE A 110 7.502 19.601 5.746 1.00 0.00 C ATOM 1806 O ILE A 110 7.183 18.445 6.016 1.00 0.00 O ATOM 1807 CB ILE A 110 9.267 19.811 3.906 1.00 0.00 C ATOM 1808 CG1 ILE A 110 9.469 20.181 2.423 1.00 0.00 C ATOM 1809 CG2 ILE A 110 9.729 18.368 4.168 1.00 0.00 C ATOM 1810 CD1 ILE A 110 10.932 20.119 1.972 1.00 0.00 C ATOM 0 H ILE A 110 8.092 22.055 4.217 1.00 0.00 H new ATOM 0 HA ILE A 110 7.205 19.312 3.666 1.00 0.00 H new ATOM 0 HB ILE A 110 9.871 20.476 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.877 19.506 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.087 21.187 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.777 18.265 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.612 18.135 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.126 17.680 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.000 20.391 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.525 20.814 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.313 19.107 2.111 1.00 0.00 H new ATOM 1822 N SER A 111 7.602 20.554 6.676 1.00 0.00 N ATOM 1823 CA SER A 111 7.354 20.306 8.088 1.00 0.00 C ATOM 1824 C SER A 111 5.867 20.416 8.407 1.00 0.00 C ATOM 1825 O SER A 111 5.295 19.564 9.088 1.00 0.00 O ATOM 1826 CB SER A 111 8.223 21.217 8.962 1.00 0.00 C ATOM 1827 OG SER A 111 8.010 20.908 10.321 1.00 0.00 O ATOM 0 H SER A 111 7.858 21.519 6.465 1.00 0.00 H new ATOM 0 HA SER A 111 7.645 19.282 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.275 21.086 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.978 22.262 8.773 1.00 0.00 H new ATOM 0 HG SER A 111 8.839 21.052 10.823 1.00 0.00 H new ATOM 1833 N ARG A 112 5.240 21.478 7.898 1.00 0.00 N ATOM 1834 CA ARG A 112 3.831 21.751 8.115 1.00 0.00 C ATOM 1835 C ARG A 112 2.909 20.896 7.258 1.00 0.00 C ATOM 1836 O ARG A 112 1.708 20.906 7.515 1.00 0.00 O ATOM 1837 CB ARG A 112 3.508 23.254 8.050 1.00 0.00 C ATOM 1838 CG ARG A 112 3.369 23.840 6.635 1.00 0.00 C ATOM 1839 CD ARG A 112 1.953 24.306 6.279 1.00 0.00 C ATOM 1840 NE ARG A 112 1.070 23.166 5.984 1.00 0.00 N ATOM 1841 CZ ARG A 112 0.215 23.074 4.952 1.00 0.00 C ATOM 1842 NH1 ARG A 112 -0.149 24.163 4.264 1.00 0.00 N ATOM 1843 NH2 ARG A 112 -0.279 21.878 4.612 1.00 0.00 N ATOM 0 H ARG A 112 5.707 22.176 7.319 1.00 0.00 H new ATOM 0 HA ARG A 112 3.621 21.443 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.579 23.432 8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.292 23.800 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 112 4.052 24.684 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.684 23.088 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.540 24.884 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.993 24.970 5.415 1.00 0.00 H new ATOM 0 HE ARG A 112 1.111 22.372 6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.224 25.077 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.799 24.079 3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.006 21.046 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.929 21.798 3.830 1.00 0.00 H new ATOM 1857 N CYS A 113 3.414 20.156 6.259 1.00 0.00 N ATOM 1858 CA CYS A 113 2.532 19.301 5.470 1.00 0.00 C ATOM 1859 C CYS A 113 1.909 18.249 6.390 1.00 0.00 C ATOM 1860 O CYS A 113 0.710 18.329 6.652 1.00 0.00 O ATOM 1861 CB CYS A 113 3.213 18.661 4.248 1.00 0.00 C ATOM 1862 SG CYS A 113 2.637 19.476 2.733 1.00 0.00 S ATOM 0 H CYS A 113 4.397 20.135 5.989 1.00 0.00 H new ATOM 0 HA CYS A 113 1.752 19.933 5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 113 4.296 18.753 4.333 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.986 17.596 4.209 1.00 0.00 H new ATOM 0 HG CYS A 113 3.417 20.479 2.457 1.00 0.00 H new ATOM 1868 N PRO A 114 2.685 17.279 6.906 1.00 0.00 N ATOM 1869 CA PRO A 114 2.159 16.255 7.791 1.00 0.00 C ATOM 1870 C PRO A 114 1.499 16.841 9.015 1.00 0.00 C ATOM 1871 O PRO A 114 0.549 16.244 9.512 1.00 0.00 O ATOM 1872 CB PRO A 114 3.321 15.313 8.111 1.00 0.00 C ATOM 1873 CG PRO A 114 4.551 16.188 7.875 1.00 0.00 C ATOM 1874 CD PRO A 114 4.114 17.082 6.716 1.00 0.00 C ATOM 0 HA PRO A 114 1.357 15.695 7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 114 3.275 14.951 9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 114 3.320 14.436 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.809 16.770 8.760 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.427 15.593 7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 114 4.648 18.032 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.323 16.612 5.755 1.00 0.00 H new ATOM 1882 N HIS A 115 1.959 18.002 9.487 1.00 0.00 N ATOM 1883 CA HIS A 115 1.300 18.591 10.632 1.00 0.00 C ATOM 1884 C HIS A 115 -0.136 18.969 10.233 1.00 0.00 C ATOM 1885 O HIS A 115 -1.088 18.536 10.880 1.00 0.00 O ATOM 1886 CB HIS A 115 2.132 19.673 11.328 1.00 0.00 C ATOM 1887 CG HIS A 115 1.830 19.785 12.810 1.00 0.00 C ATOM 1888 ND1 HIS A 115 1.844 20.853 13.672 1.00 0.00 N flip ATOM 1889 CD2 HIS A 115 1.443 18.708 13.602 1.00 0.00 C flip ATOM 1890 CE1 HIS A 115 1.481 20.471 14.959 1.00 0.00 C flip ATOM 1891 NE2 HIS A 115 1.250 19.164 14.849 1.00 0.00 N flip ATOM 0 H HIS A 115 2.749 18.525 9.109 1.00 0.00 H new ATOM 0 HA HIS A 115 1.213 17.858 11.434 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.191 19.453 11.193 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.943 20.634 10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.320 17.687 13.272 1.00 0.00 H new ATOM 0 HE1 HIS A 115 1.404 21.089 15.841 1.00 0.00 H new ATOM 0 HE2 HIS A 115 0.958 18.574 15.628 1.00 0.00 H new ATOM 1899 N LEU A 116 -0.319 19.744 9.149 1.00 0.00 N ATOM 1900 CA LEU A 116 -1.644 20.113 8.688 1.00 0.00 C ATOM 1901 C LEU A 116 -2.538 18.881 8.493 1.00 0.00 C ATOM 1902 O LEU A 116 -3.660 18.800 8.989 1.00 0.00 O ATOM 1903 CB LEU A 116 -1.648 20.950 7.400 1.00 0.00 C ATOM 1904 CG LEU A 116 -2.913 21.820 7.238 1.00 0.00 C ATOM 1905 CD1 LEU A 116 -3.603 21.730 5.858 1.00 0.00 C ATOM 1906 CD2 LEU A 116 -4.054 21.555 8.181 1.00 0.00 C ATOM 0 H LEU A 116 0.442 20.121 8.584 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.047 20.741 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.769 21.595 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.562 20.283 6.542 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.446 22.786 7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.480 22.377 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.907 22.048 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.909 20.701 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.876 22.235 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.392 20.525 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.722 21.713 9.207 1.00 0.00 H new ATOM 1918 N LEU A 117 -2.023 17.887 7.772 1.00 0.00 N ATOM 1919 CA LEU A 117 -2.728 16.624 7.584 1.00 0.00 C ATOM 1920 C LEU A 117 -3.153 16.108 8.960 1.00 0.00 C ATOM 1921 O LEU A 117 -4.308 15.761 9.134 1.00 0.00 O ATOM 1922 CB LEU A 117 -1.903 15.612 6.784 1.00 0.00 C ATOM 1923 CG LEU A 117 -1.843 15.830 5.249 1.00 0.00 C ATOM 1924 CD1 LEU A 117 -0.595 16.542 4.735 1.00 0.00 C ATOM 1925 CD2 LEU A 117 -1.936 14.473 4.588 1.00 0.00 C ATOM 0 H LEU A 117 -1.116 17.934 7.307 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.620 16.783 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.884 15.621 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.307 14.617 6.972 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.673 16.491 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.654 16.643 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.527 17.531 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.289 15.961 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.897 14.592 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.103 13.851 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.876 13.996 4.866 1.00 0.00 H new ATOM 1937 N ASP A 118 -2.264 16.111 9.951 1.00 0.00 N ATOM 1938 CA ASP A 118 -2.603 15.716 11.332 1.00 0.00 C ATOM 1939 C ASP A 118 -3.474 16.729 12.108 1.00 0.00 C ATOM 1940 O ASP A 118 -3.889 16.463 13.231 1.00 0.00 O ATOM 1941 CB ASP A 118 -1.305 15.568 12.135 1.00 0.00 C ATOM 1942 CG ASP A 118 -1.438 14.584 13.288 1.00 0.00 C ATOM 1943 OD1 ASP A 118 -1.646 13.390 12.982 1.00 0.00 O ATOM 1944 OD2 ASP A 118 -1.300 15.035 14.445 1.00 0.00 O ATOM 0 H ASP A 118 -1.289 16.385 9.828 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.175 14.793 11.231 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.507 15.237 11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.011 16.542 12.526 1.00 0.00 H new ATOM 1949 N PHE A 119 -3.745 17.897 11.525 1.00 0.00 N ATOM 1950 CA PHE A 119 -4.538 19.005 12.074 1.00 0.00 C ATOM 1951 C PHE A 119 -5.984 18.626 11.793 1.00 0.00 C ATOM 1952 O PHE A 119 -6.889 18.849 12.594 1.00 0.00 O ATOM 1953 CB PHE A 119 -4.174 20.321 11.303 1.00 0.00 C ATOM 1954 CG PHE A 119 -4.052 21.702 11.956 1.00 0.00 C ATOM 1955 CD1 PHE A 119 -4.892 21.984 13.026 1.00 0.00 C ATOM 1956 CD2 PHE A 119 -3.125 22.699 11.547 1.00 0.00 C ATOM 1957 CE1 PHE A 119 -4.851 23.195 13.732 1.00 0.00 C ATOM 1958 CE2 PHE A 119 -3.073 23.900 12.275 1.00 0.00 C ATOM 1959 CZ PHE A 119 -3.923 24.164 13.355 1.00 0.00 C ATOM 0 H PHE A 119 -3.393 18.112 10.592 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.357 19.171 13.136 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.217 20.131 10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.918 20.425 10.514 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -5.610 21.236 13.328 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.477 22.538 10.698 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.528 23.374 14.555 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.349 24.649 11.990 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.861 25.102 13.887 1.00 0.00 H new ATOM 1969 N PHE A 120 -6.153 18.070 10.597 1.00 0.00 N ATOM 1970 CA PHE A 120 -7.400 17.669 9.998 1.00 0.00 C ATOM 1971 C PHE A 120 -7.778 16.199 10.164 1.00 0.00 C ATOM 1972 O PHE A 120 -8.856 15.897 10.668 1.00 0.00 O ATOM 1973 CB PHE A 120 -7.195 17.964 8.507 1.00 0.00 C ATOM 1974 CG PHE A 120 -7.104 19.414 8.084 1.00 0.00 C ATOM 1975 CD1 PHE A 120 -7.337 20.474 8.983 1.00 0.00 C ATOM 1976 CD2 PHE A 120 -6.799 19.692 6.742 1.00 0.00 C ATOM 1977 CE1 PHE A 120 -7.325 21.798 8.524 1.00 0.00 C ATOM 1978 CE2 PHE A 120 -6.791 21.016 6.281 1.00 0.00 C ATOM 1979 CZ PHE A 120 -7.067 22.064 7.172 1.00 0.00 C ATOM 0 H PHE A 120 -5.359 17.879 9.986 1.00 0.00 H new ATOM 0 HA PHE A 120 -8.216 18.203 10.484 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.281 17.464 8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.017 17.505 7.958 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -7.525 20.266 10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.570 18.884 6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -7.514 22.611 9.210 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -6.573 21.228 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.081 23.083 6.814 1.00 0.00 H new ATOM 1989 N LYS A 121 -6.916 15.290 9.709 1.00 0.00 N ATOM 1990 CA LYS A 121 -7.170 13.851 9.744 1.00 0.00 C ATOM 1991 C LYS A 121 -7.457 13.344 11.157 1.00 0.00 C ATOM 1992 O LYS A 121 -8.151 12.343 11.316 1.00 0.00 O ATOM 1993 CB LYS A 121 -6.077 13.051 9.015 1.00 0.00 C ATOM 1994 CG LYS A 121 -4.892 12.775 9.938 1.00 0.00 C ATOM 1995 CD LYS A 121 -3.598 12.402 9.208 1.00 0.00 C ATOM 1996 CE LYS A 121 -3.679 11.015 8.563 1.00 0.00 C ATOM 1997 NZ LYS A 121 -2.378 10.614 7.998 1.00 0.00 N ATOM 0 H LYS A 121 -6.013 15.535 9.302 1.00 0.00 H new ATOM 0 HA LYS A 121 -8.087 13.676 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -6.490 12.108 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.739 13.605 8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.709 13.659 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.157 11.966 10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.388 13.147 8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.766 12.426 9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.997 10.283 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -4.434 11.020 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.449 9.651 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.112 11.272 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.654 10.636 8.744 1.00 0.00 H new ATOM 2011 N VAL A 122 -6.917 14.036 12.165 1.00 0.00 N ATOM 2012 CA VAL A 122 -7.095 13.680 13.563 1.00 0.00 C ATOM 2013 C VAL A 122 -8.170 14.534 14.222 1.00 0.00 C ATOM 2014 O VAL A 122 -8.969 13.980 14.974 1.00 0.00 O ATOM 2015 CB VAL A 122 -5.759 13.742 14.316 1.00 0.00 C ATOM 2016 CG1 VAL A 122 -5.909 13.251 15.762 1.00 0.00 C ATOM 2017 CG2 VAL A 122 -4.742 12.860 13.587 1.00 0.00 C ATOM 0 H VAL A 122 -6.340 14.865 12.025 1.00 0.00 H new ATOM 0 HA VAL A 122 -7.445 12.649 13.610 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.423 14.778 14.343 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.945 13.308 16.267 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -6.631 13.878 16.286 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.258 12.218 15.761 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.787 12.895 14.112 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.104 11.832 13.561 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.609 13.224 12.568 1.00 0.00 H new ATOM 2027 N ARG A 123 -8.180 15.853 13.954 1.00 0.00 N ATOM 2028 CA ARG A 123 -9.120 16.815 14.521 1.00 0.00 C ATOM 2029 C ARG A 123 -9.726 16.428 15.856 1.00 0.00 C ATOM 2030 O ARG A 123 -10.842 15.897 15.885 1.00 0.00 O ATOM 2031 CB ARG A 123 -10.231 17.170 13.548 1.00 0.00 C ATOM 2032 CG ARG A 123 -10.940 18.465 13.976 1.00 0.00 C ATOM 2033 CD ARG A 123 -10.120 19.705 13.610 1.00 0.00 C ATOM 2034 NE ARG A 123 -9.213 20.146 14.677 1.00 0.00 N ATOM 2035 CZ ARG A 123 -8.200 20.995 14.460 1.00 0.00 C ATOM 2036 NH1 ARG A 123 -8.041 21.545 13.249 1.00 0.00 N ATOM 2037 NH2 ARG A 123 -7.354 21.290 15.450 1.00 0.00 N ATOM 0 H ARG A 123 -7.510 16.283 13.316 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.495 17.688 14.712 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -9.818 17.290 12.546 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.952 16.354 13.500 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.918 18.520 13.497 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.113 18.447 15.052 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -9.537 19.493 12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.800 20.520 13.363 1.00 0.00 H new ATOM 0 HE ARG A 123 -9.360 19.791 15.622 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -8.690 21.317 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.271 22.192 13.080 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.479 20.869 16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -6.582 21.936 15.286 1.00 0.00 H new ATOM 2051 N PRO A 124 -9.055 16.731 16.974 1.00 0.00 N ATOM 2052 CA PRO A 124 -9.617 16.452 18.271 1.00 0.00 C ATOM 2053 C PRO A 124 -10.672 17.493 18.656 1.00 0.00 C ATOM 2054 O PRO A 124 -10.754 17.926 19.804 1.00 0.00 O ATOM 2055 CB PRO A 124 -8.412 16.381 19.211 1.00 0.00 C ATOM 2056 CG PRO A 124 -7.481 17.436 18.612 1.00 0.00 C ATOM 2057 CD PRO A 124 -7.747 17.352 17.104 1.00 0.00 C ATOM 0 HA PRO A 124 -10.171 15.514 18.310 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.683 16.613 20.241 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -7.957 15.391 19.217 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -7.701 18.430 19.001 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -6.437 17.226 18.846 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -7.736 18.342 16.648 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.980 16.761 16.603 1.00 0.00 H new ATOM 2065 N ASP A 125 -11.516 17.844 17.676 1.00 0.00 N ATOM 2066 CA ASP A 125 -12.657 18.718 17.821 1.00 0.00 C ATOM 2067 C ASP A 125 -13.781 18.397 16.830 1.00 0.00 C ATOM 2068 O ASP A 125 -14.856 18.981 16.923 1.00 0.00 O ATOM 2069 CB ASP A 125 -12.256 20.197 17.898 1.00 0.00 C ATOM 2070 CG ASP A 125 -12.994 20.884 19.039 1.00 0.00 C ATOM 2071 OD1 ASP A 125 -12.631 20.585 20.199 1.00 0.00 O ATOM 2072 OD2 ASP A 125 -13.916 21.685 18.771 1.00 0.00 O ATOM 0 H ASP A 125 -11.404 17.503 16.721 1.00 0.00 H new ATOM 0 HA ASP A 125 -13.101 18.509 18.794 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -11.180 20.282 18.048 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.487 20.693 16.955 1.00 0.00 H new ATOM 2077 N ASP A 126 -13.559 17.437 15.921 1.00 0.00 N ATOM 2078 CA ASP A 126 -14.566 16.943 14.993 1.00 0.00 C ATOM 2079 C ASP A 126 -15.104 15.630 15.560 1.00 0.00 C ATOM 2080 O ASP A 126 -16.317 15.463 15.680 1.00 0.00 O ATOM 2081 CB ASP A 126 -13.951 16.678 13.611 1.00 0.00 C ATOM 2082 CG ASP A 126 -14.771 15.738 12.731 1.00 0.00 C ATOM 2083 OD1 ASP A 126 -15.984 15.989 12.578 1.00 0.00 O ATOM 2084 OD2 ASP A 126 -14.157 14.774 12.225 1.00 0.00 O ATOM 0 H ASP A 126 -12.654 16.978 15.814 1.00 0.00 H new ATOM 0 HA ASP A 126 -15.357 17.683 14.877 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -13.828 17.629 13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -12.955 16.256 13.744 1.00 0.00 H new