USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 835 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 62 HIS : no HE2:sc= -4.99 X(o=-3.4,f=-3.7!) USER MOD Set 1.2: A 63 CYS SG : rot 51:sc= 0.16 USER MOD Set 1.3: A 69 THR OG1 : rot -51:sc= 1.39 USER MOD Set 2.1: A 1 ALA N :NH3+ 145:sc= 0.0182 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.587 K(o=-0.59,f=-1.7!) USER MOD Single : A 11 GLN : amide:sc= 0.297 K(o=0.3,f=-0.42) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0388) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.13) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc=-0.00145 X(o=-0.0015,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.379 X(o=0.38,f=-0.0062) USER MOD Single : A 72 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.554 -10.256 -2.995 1.00 0.00 N ATOM 2 CA ALA A 1 12.612 -8.794 -3.182 1.00 0.00 C ATOM 3 C ALA A 1 11.522 -8.367 -4.148 1.00 0.00 C ATOM 4 O ALA A 1 11.372 -9.000 -5.194 1.00 0.00 O ATOM 5 CB ALA A 1 13.960 -8.347 -3.755 1.00 0.00 C ATOM 0 H1 ALA A 1 13.517 -10.629 -2.876 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.990 -10.476 -2.149 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.113 -10.695 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 1 12.476 -8.332 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.962 -7.264 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.759 -8.636 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.119 -8.822 -4.723 1.00 0.00 H new ATOM 11 N LEU A 2 10.797 -7.280 -3.857 1.00 0.00 N ATOM 12 CA LEU A 2 9.707 -6.755 -4.689 1.00 0.00 C ATOM 13 C LEU A 2 8.723 -7.866 -5.105 1.00 0.00 C ATOM 14 O LEU A 2 8.210 -7.876 -6.227 1.00 0.00 O ATOM 15 CB LEU A 2 10.260 -6.040 -5.942 1.00 0.00 C ATOM 16 CG LEU A 2 11.166 -4.823 -5.723 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.495 -4.204 -7.087 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.488 -3.790 -4.822 1.00 0.00 C ATOM 0 H LEU A 2 10.956 -6.727 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 2 9.163 -6.030 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.816 -6.772 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.412 -5.723 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 2 12.083 -5.142 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.140 -3.336 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.007 -4.940 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.572 -3.895 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.152 -2.937 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.560 -3.456 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.268 -4.240 -3.854 1.00 0.00 H new ATOM 30 N THR A 3 8.495 -8.843 -4.233 1.00 0.00 N ATOM 31 CA THR A 3 7.610 -9.955 -4.516 1.00 0.00 C ATOM 32 C THR A 3 6.177 -9.455 -4.706 1.00 0.00 C ATOM 33 O THR A 3 5.656 -8.713 -3.868 1.00 0.00 O ATOM 34 CB THR A 3 7.714 -10.985 -3.388 1.00 0.00 C ATOM 35 OG1 THR A 3 9.070 -11.134 -2.970 1.00 0.00 O ATOM 36 CG2 THR A 3 7.100 -12.324 -3.781 1.00 0.00 C ATOM 0 H THR A 3 8.923 -8.881 -3.308 1.00 0.00 H new ATOM 0 HA THR A 3 7.907 -10.440 -5.446 1.00 0.00 H new ATOM 0 HB THR A 3 7.136 -10.612 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.119 -11.794 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.195 -13.025 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.045 -12.185 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.620 -12.721 -4.653 1.00 0.00 H new ATOM 44 N THR A 4 5.569 -9.830 -5.825 1.00 0.00 N ATOM 45 CA THR A 4 4.204 -9.491 -6.178 1.00 0.00 C ATOM 46 C THR A 4 3.361 -10.572 -5.518 1.00 0.00 C ATOM 47 O THR A 4 3.331 -11.725 -5.960 1.00 0.00 O ATOM 48 CB THR A 4 4.039 -9.418 -7.697 1.00 0.00 C ATOM 49 OG1 THR A 4 4.803 -10.403 -8.361 1.00 0.00 O ATOM 50 CG2 THR A 4 4.527 -8.063 -8.200 1.00 0.00 C ATOM 0 H THR A 4 6.033 -10.398 -6.534 1.00 0.00 H new ATOM 0 HA THR A 4 3.897 -8.505 -5.831 1.00 0.00 H new ATOM 0 HB THR A 4 2.981 -9.574 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.669 -10.324 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.409 -8.013 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.943 -7.270 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.579 -7.937 -7.944 1.00 0.00 H new ATOM 58 N ILE A 5 2.792 -10.225 -4.376 1.00 0.00 N ATOM 59 CA ILE A 5 1.973 -11.095 -3.561 1.00 0.00 C ATOM 60 C ILE A 5 0.504 -10.814 -3.859 1.00 0.00 C ATOM 61 O ILE A 5 0.135 -9.680 -4.170 1.00 0.00 O ATOM 62 CB ILE A 5 2.422 -10.922 -2.100 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.572 -11.764 -1.139 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.530 -9.447 -1.661 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.382 -12.084 0.111 1.00 0.00 C ATOM 0 H ILE A 5 2.894 -9.291 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 5 2.097 -12.154 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 5 3.440 -11.309 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.666 -11.222 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.258 -12.686 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.851 -9.400 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.257 -8.933 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.558 -8.965 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.778 -12.682 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.275 -12.643 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.673 -11.156 0.603 1.00 0.00 H new ATOM 77 N SER A 6 -0.320 -11.860 -3.830 1.00 0.00 N ATOM 78 CA SER A 6 -1.738 -11.723 -4.109 1.00 0.00 C ATOM 79 C SER A 6 -2.454 -10.954 -2.998 1.00 0.00 C ATOM 80 O SER A 6 -2.035 -11.009 -1.836 1.00 0.00 O ATOM 81 CB SER A 6 -2.390 -13.104 -4.262 1.00 0.00 C ATOM 82 OG SER A 6 -2.179 -13.896 -3.111 1.00 0.00 O ATOM 0 H SER A 6 -0.024 -12.812 -3.615 1.00 0.00 H new ATOM 0 HA SER A 6 -1.833 -11.164 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.460 -12.987 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.978 -13.609 -5.136 1.00 0.00 H new ATOM 0 HG SER A 6 -2.605 -14.770 -3.233 1.00 0.00 H new ATOM 88 N PRO A 7 -3.596 -10.327 -3.316 1.00 0.00 N ATOM 89 CA PRO A 7 -4.393 -9.587 -2.349 1.00 0.00 C ATOM 90 C PRO A 7 -4.947 -10.516 -1.251 1.00 0.00 C ATOM 91 O PRO A 7 -5.153 -10.085 -0.119 1.00 0.00 O ATOM 92 CB PRO A 7 -5.478 -8.907 -3.192 1.00 0.00 C ATOM 93 CG PRO A 7 -5.599 -9.780 -4.438 1.00 0.00 C ATOM 94 CD PRO A 7 -4.159 -10.203 -4.653 1.00 0.00 C ATOM 0 HA PRO A 7 -3.817 -8.847 -1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.424 -8.853 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.198 -7.885 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.258 -10.634 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.995 -9.227 -5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.102 -11.148 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.615 -9.465 -5.243 1.00 0.00 H new ATOM 102 N HIS A 8 -5.147 -11.794 -1.575 1.00 0.00 N ATOM 103 CA HIS A 8 -5.652 -12.848 -0.700 1.00 0.00 C ATOM 104 C HIS A 8 -4.654 -13.124 0.424 1.00 0.00 C ATOM 105 O HIS A 8 -5.030 -13.153 1.601 1.00 0.00 O ATOM 106 CB HIS A 8 -5.895 -14.132 -1.525 1.00 0.00 C ATOM 107 CG HIS A 8 -6.087 -15.412 -0.728 1.00 0.00 C ATOM 108 ND1 HIS A 8 -6.397 -15.509 0.611 1.00 0.00 N ATOM 109 CD2 HIS A 8 -5.861 -16.687 -1.181 1.00 0.00 C ATOM 110 CE1 HIS A 8 -6.308 -16.799 0.968 1.00 0.00 C ATOM 111 NE2 HIS A 8 -6.037 -17.565 -0.099 1.00 0.00 N ATOM 0 H HIS A 8 -4.948 -12.140 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.593 -12.524 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.777 -13.979 -2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.050 -14.271 -2.200 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -6.650 -14.734 1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.595 -16.966 -2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.437 -17.169 1.974 1.00 0.00 H new ATOM 119 N ASP A 9 -3.402 -13.406 0.062 1.00 0.00 N ATOM 120 CA ASP A 9 -2.341 -13.706 1.022 1.00 0.00 C ATOM 121 C ASP A 9 -2.102 -12.460 1.852 1.00 0.00 C ATOM 122 O ASP A 9 -2.065 -12.493 3.081 1.00 0.00 O ATOM 123 CB ASP A 9 -1.035 -14.101 0.311 1.00 0.00 C ATOM 124 CG ASP A 9 -0.972 -15.566 -0.110 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.247 -15.868 -1.088 1.00 0.00 O ATOM 126 OD2 ASP A 9 -1.606 -16.435 0.526 1.00 0.00 O ATOM 0 H ASP A 9 -3.095 -13.433 -0.910 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.647 -14.546 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.912 -13.475 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.195 -13.888 0.973 1.00 0.00 H new ATOM 131 N ALA A 10 -1.994 -11.335 1.152 1.00 0.00 N ATOM 132 CA ALA A 10 -1.770 -10.036 1.729 1.00 0.00 C ATOM 133 C ALA A 10 -2.779 -9.670 2.790 1.00 0.00 C ATOM 134 O ALA A 10 -2.362 -9.153 3.823 1.00 0.00 O ATOM 135 CB ALA A 10 -1.726 -9.032 0.600 1.00 0.00 C ATOM 0 H ALA A 10 -2.064 -11.314 0.135 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.819 -10.041 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.557 -8.035 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.916 -9.288 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.673 -9.049 0.061 1.00 0.00 H new ATOM 141 N GLN A 11 -4.058 -9.988 2.600 1.00 0.00 N ATOM 142 CA GLN A 11 -5.087 -9.672 3.580 1.00 0.00 C ATOM 143 C GLN A 11 -4.729 -10.213 4.972 1.00 0.00 C ATOM 144 O GLN A 11 -5.227 -9.721 5.990 1.00 0.00 O ATOM 145 CB GLN A 11 -6.430 -10.245 3.093 1.00 0.00 C ATOM 146 CG GLN A 11 -7.599 -9.760 3.959 1.00 0.00 C ATOM 147 CD GLN A 11 -8.272 -10.858 4.777 1.00 0.00 C ATOM 148 OE1 GLN A 11 -9.362 -11.327 4.455 1.00 0.00 O ATOM 149 NE2 GLN A 11 -7.662 -11.250 5.878 1.00 0.00 N ATOM 0 H GLN A 11 -4.405 -10.468 1.769 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.165 -8.589 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.597 -9.950 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.390 -11.334 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.237 -8.988 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.345 -9.294 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.758 -10.850 6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.094 -11.953 6.478 1.00 0.00 H new ATOM 158 N GLU A 12 -3.912 -11.256 5.023 1.00 0.00 N ATOM 159 CA GLU A 12 -3.473 -11.902 6.220 1.00 0.00 C ATOM 160 C GLU A 12 -2.297 -11.175 6.838 1.00 0.00 C ATOM 161 O GLU A 12 -2.491 -10.610 7.910 1.00 0.00 O ATOM 162 CB GLU A 12 -3.165 -13.370 5.911 1.00 0.00 C ATOM 163 CG GLU A 12 -3.245 -14.106 7.232 1.00 0.00 C ATOM 164 CD GLU A 12 -2.796 -15.552 7.111 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.632 -16.404 6.739 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.621 -15.833 7.444 1.00 0.00 O ATOM 0 H GLU A 12 -3.527 -11.684 4.181 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.266 -11.871 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.880 -13.776 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.175 -13.475 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.625 -13.595 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.270 -14.075 7.602 1.00 0.00 H new ATOM 173 N LEU A 13 -1.111 -11.191 6.207 1.00 0.00 N ATOM 174 CA LEU A 13 0.132 -10.581 6.691 1.00 0.00 C ATOM 175 C LEU A 13 -0.025 -9.140 7.138 1.00 0.00 C ATOM 176 O LEU A 13 0.677 -8.672 8.037 1.00 0.00 O ATOM 177 CB LEU A 13 1.265 -10.774 5.677 1.00 0.00 C ATOM 178 CG LEU A 13 0.911 -10.382 4.233 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.633 -9.143 3.734 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.159 -11.528 3.264 1.00 0.00 C ATOM 0 H LEU A 13 -0.991 -11.651 5.305 1.00 0.00 H new ATOM 0 HA LEU A 13 0.408 -11.114 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.125 -10.186 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.571 -11.820 5.690 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.153 -10.147 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.329 -8.933 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.379 -8.294 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.709 -9.311 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.897 -11.213 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.212 -11.810 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.546 -12.383 3.548 1.00 0.00 H new ATOM 192 N ILE A 14 -0.984 -8.456 6.542 1.00 0.00 N ATOM 193 CA ILE A 14 -1.346 -7.090 6.829 1.00 0.00 C ATOM 194 C ILE A 14 -1.709 -7.003 8.313 1.00 0.00 C ATOM 195 O ILE A 14 -1.084 -6.244 9.051 1.00 0.00 O ATOM 196 CB ILE A 14 -2.429 -6.740 5.791 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.604 -6.301 4.563 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.498 -5.779 6.296 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.389 -6.028 3.300 1.00 0.00 C ATOM 0 H ILE A 14 -1.559 -8.865 5.806 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.565 -6.338 6.719 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.080 -7.576 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.051 -5.399 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.868 -7.076 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.219 -5.587 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.009 -6.220 7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.031 -4.841 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.706 -5.728 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.921 -6.931 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.107 -5.228 3.483 1.00 0.00 H new ATOM 211 N ALA A 15 -2.651 -7.834 8.770 1.00 0.00 N ATOM 212 CA ALA A 15 -3.099 -7.894 10.159 1.00 0.00 C ATOM 213 C ALA A 15 -2.051 -8.550 11.080 1.00 0.00 C ATOM 214 O ALA A 15 -2.338 -8.831 12.248 1.00 0.00 O ATOM 215 CB ALA A 15 -4.433 -8.650 10.214 1.00 0.00 C ATOM 0 H ALA A 15 -3.134 -8.499 8.166 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.235 -6.877 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.779 -8.702 11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.173 -8.126 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.296 -9.659 9.826 1.00 0.00 H new ATOM 221 N ARG A 16 -0.849 -8.852 10.573 1.00 0.00 N ATOM 222 CA ARG A 16 0.244 -9.466 11.322 1.00 0.00 C ATOM 223 C ARG A 16 1.393 -8.488 11.535 1.00 0.00 C ATOM 224 O ARG A 16 2.156 -8.689 12.486 1.00 0.00 O ATOM 225 CB ARG A 16 0.745 -10.738 10.628 1.00 0.00 C ATOM 226 CG ARG A 16 -0.367 -11.718 10.227 1.00 0.00 C ATOM 227 CD ARG A 16 0.312 -13.018 9.763 1.00 0.00 C ATOM 228 NE ARG A 16 -0.606 -14.149 9.578 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.059 -14.981 10.521 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.828 -14.767 11.811 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.747 -16.045 10.147 1.00 0.00 N ATOM 0 H ARG A 16 -0.607 -8.668 9.599 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.150 -9.742 12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.303 -10.455 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.442 -11.249 11.292 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.031 -11.911 11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.979 -11.298 9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.829 -12.828 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.071 -13.298 10.493 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.933 -14.318 8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.292 -13.950 12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.186 -15.419 12.508 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.922 -16.217 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.103 -16.695 10.848 1.00 0.00 H new ATOM 245 N GLY A 17 1.534 -7.454 10.700 1.00 0.00 N ATOM 246 CA GLY A 17 2.589 -6.462 10.833 1.00 0.00 C ATOM 247 C GLY A 17 3.107 -5.896 9.515 1.00 0.00 C ATOM 248 O GLY A 17 3.923 -4.979 9.570 1.00 0.00 O ATOM 0 H GLY A 17 0.912 -7.287 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.219 -5.639 11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.423 -6.910 11.372 1.00 0.00 H new ATOM 252 N ALA A 18 2.707 -6.430 8.358 1.00 0.00 N ATOM 253 CA ALA A 18 3.131 -5.930 7.051 1.00 0.00 C ATOM 254 C ALA A 18 2.435 -4.576 6.856 1.00 0.00 C ATOM 255 O ALA A 18 1.201 -4.528 6.863 1.00 0.00 O ATOM 256 CB ALA A 18 2.656 -6.910 5.985 1.00 0.00 C ATOM 0 H ALA A 18 2.074 -7.228 8.303 1.00 0.00 H new ATOM 0 HA ALA A 18 4.214 -5.824 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.963 -6.554 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.096 -7.890 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.569 -6.987 6.020 1.00 0.00 H new ATOM 262 N LYS A 19 3.170 -3.468 6.702 1.00 0.00 N ATOM 263 CA LYS A 19 2.542 -2.150 6.540 1.00 0.00 C ATOM 264 C LYS A 19 2.662 -1.625 5.132 1.00 0.00 C ATOM 265 O LYS A 19 3.771 -1.477 4.620 1.00 0.00 O ATOM 266 CB LYS A 19 3.193 -1.101 7.446 1.00 0.00 C ATOM 267 CG LYS A 19 2.624 -0.943 8.862 1.00 0.00 C ATOM 268 CD LYS A 19 2.367 -2.236 9.639 1.00 0.00 C ATOM 269 CE LYS A 19 1.128 -2.128 10.525 1.00 0.00 C ATOM 270 NZ LYS A 19 1.173 -0.991 11.458 1.00 0.00 N ATOM 0 H LYS A 19 4.190 -3.456 6.686 1.00 0.00 H new ATOM 0 HA LYS A 19 1.495 -2.303 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.253 -1.342 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.126 -0.135 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.313 -0.328 9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.686 -0.393 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.242 -3.062 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.235 -2.469 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.245 -2.034 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.016 -3.051 11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.363 -1.043 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.058 -1.025 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.130 -0.101 10.922 1.00 0.00 H new ATOM 284 N LEU A 20 1.527 -1.259 4.569 1.00 0.00 N ATOM 285 CA LEU A 20 1.430 -0.689 3.247 1.00 0.00 C ATOM 286 C LEU A 20 1.585 0.827 3.301 1.00 0.00 C ATOM 287 O LEU A 20 0.995 1.499 4.148 1.00 0.00 O ATOM 288 CB LEU A 20 0.088 -1.098 2.645 1.00 0.00 C ATOM 289 CG LEU A 20 -0.306 -0.339 1.378 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.673 -0.574 0.236 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.695 -0.781 0.919 1.00 0.00 C ATOM 0 H LEU A 20 0.624 -1.354 5.035 1.00 0.00 H new ATOM 0 HA LEU A 20 2.235 -1.064 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.117 -2.164 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.690 -0.953 3.395 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.297 0.722 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.350 -0.014 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.667 -0.240 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.704 -1.637 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.970 -0.236 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.686 -1.851 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.421 -0.572 1.704 1.00 0.00 H new ATOM 303 N ILE A 21 2.371 1.360 2.372 1.00 0.00 N ATOM 304 CA ILE A 21 2.621 2.777 2.205 1.00 0.00 C ATOM 305 C ILE A 21 1.860 3.114 0.930 1.00 0.00 C ATOM 306 O ILE A 21 2.170 2.577 -0.141 1.00 0.00 O ATOM 307 CB ILE A 21 4.125 3.066 2.046 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.965 2.555 3.226 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.387 4.571 1.858 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.435 3.006 4.589 1.00 0.00 C ATOM 0 H ILE A 21 2.869 0.789 1.690 1.00 0.00 H new ATOM 0 HA ILE A 21 2.304 3.369 3.064 1.00 0.00 H new ATOM 0 HB ILE A 21 4.434 2.521 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.993 1.466 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.991 2.904 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.458 4.743 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.870 4.922 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.019 5.116 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.075 2.610 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.433 4.095 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.419 2.635 4.725 1.00 0.00 H new ATOM 322 N ASP A 22 0.826 3.943 1.051 1.00 0.00 N ATOM 323 CA ASP A 22 0.018 4.357 -0.088 1.00 0.00 C ATOM 324 C ASP A 22 0.764 5.519 -0.730 1.00 0.00 C ATOM 325 O ASP A 22 0.708 6.643 -0.219 1.00 0.00 O ATOM 326 CB ASP A 22 -1.406 4.748 0.347 1.00 0.00 C ATOM 327 CG ASP A 22 -2.455 3.844 -0.291 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.410 3.486 0.430 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.365 3.597 -1.512 1.00 0.00 O ATOM 0 H ASP A 22 0.527 4.344 1.940 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.115 3.544 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.485 4.688 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.600 5.784 0.070 1.00 0.00 H new ATOM 334 N ILE A 23 1.469 5.251 -1.835 1.00 0.00 N ATOM 335 CA ILE A 23 2.271 6.231 -2.583 1.00 0.00 C ATOM 336 C ILE A 23 1.542 6.731 -3.853 1.00 0.00 C ATOM 337 O ILE A 23 2.152 7.028 -4.880 1.00 0.00 O ATOM 338 CB ILE A 23 3.627 5.548 -2.939 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.462 4.299 -3.846 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.430 5.090 -1.707 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.997 4.520 -5.250 1.00 0.00 C ATOM 0 H ILE A 23 1.499 4.319 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 23 2.438 7.117 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 23 4.166 6.336 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.981 3.455 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.407 4.032 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.360 4.624 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.655 5.952 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.843 4.369 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.856 3.614 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.461 5.345 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.059 4.759 -5.201 1.00 0.00 H new ATOM 353 N ARG A 24 0.224 6.903 -3.775 1.00 0.00 N ATOM 354 CA ARG A 24 -0.659 7.338 -4.862 1.00 0.00 C ATOM 355 C ARG A 24 -0.810 8.857 -4.959 1.00 0.00 C ATOM 356 O ARG A 24 -0.250 9.482 -5.862 1.00 0.00 O ATOM 357 CB ARG A 24 -2.035 6.623 -4.755 1.00 0.00 C ATOM 358 CG ARG A 24 -2.466 6.303 -3.312 1.00 0.00 C ATOM 359 CD ARG A 24 -3.931 5.835 -3.188 1.00 0.00 C ATOM 360 NE ARG A 24 -4.423 5.934 -1.796 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.369 5.166 -1.221 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.225 4.434 -1.933 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.487 5.121 0.095 1.00 0.00 N ATOM 0 H ARG A 24 -0.286 6.735 -2.908 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.181 7.042 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.796 7.251 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.996 5.695 -5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.812 5.529 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.325 7.191 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.562 6.439 -3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.013 4.803 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.003 6.657 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.178 4.442 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.927 3.866 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.859 5.670 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.206 4.537 0.523 1.00 0.00 H new ATOM 377 N ASP A 25 -1.677 9.422 -4.131 1.00 0.00 N ATOM 378 CA ASP A 25 -2.063 10.823 -3.994 1.00 0.00 C ATOM 379 C ASP A 25 -2.793 10.921 -2.643 1.00 0.00 C ATOM 380 O ASP A 25 -2.822 9.924 -1.912 1.00 0.00 O ATOM 381 CB ASP A 25 -3.018 11.171 -5.149 1.00 0.00 C ATOM 382 CG ASP A 25 -3.209 12.673 -5.330 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.447 13.268 -6.131 1.00 0.00 O ATOM 384 OD2 ASP A 25 -4.078 13.262 -4.654 1.00 0.00 O ATOM 0 H ASP A 25 -2.186 8.845 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.215 11.507 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.631 10.745 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.987 10.706 -4.965 1.00 0.00 H new ATOM 389 N ALA A 26 -3.387 12.058 -2.280 1.00 0.00 N ATOM 390 CA ALA A 26 -4.125 12.260 -1.033 1.00 0.00 C ATOM 391 C ALA A 26 -5.633 12.383 -1.270 1.00 0.00 C ATOM 392 O ALA A 26 -6.411 12.165 -0.338 1.00 0.00 O ATOM 393 CB ALA A 26 -3.599 13.520 -0.340 1.00 0.00 C ATOM 0 H ALA A 26 -3.367 12.892 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.969 11.386 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.144 13.678 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.538 13.400 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.740 14.381 -0.994 1.00 0.00 H new ATOM 399 N ASP A 27 -6.072 12.691 -2.494 1.00 0.00 N ATOM 400 CA ASP A 27 -7.496 12.841 -2.789 1.00 0.00 C ATOM 401 C ASP A 27 -8.198 11.495 -2.982 1.00 0.00 C ATOM 402 O ASP A 27 -9.420 11.440 -2.872 1.00 0.00 O ATOM 403 CB ASP A 27 -7.714 13.788 -3.988 1.00 0.00 C ATOM 404 CG ASP A 27 -8.387 15.118 -3.615 1.00 0.00 C ATOM 405 OD1 ASP A 27 -8.985 15.741 -4.527 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.318 15.573 -2.449 1.00 0.00 O ATOM 0 H ASP A 27 -5.459 12.841 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.961 13.300 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.751 13.997 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.325 13.279 -4.734 1.00 0.00 H new ATOM 411 N GLU A 28 -7.487 10.389 -3.239 1.00 0.00 N ATOM 412 CA GLU A 28 -8.138 9.076 -3.409 1.00 0.00 C ATOM 413 C GLU A 28 -8.747 8.648 -2.075 1.00 0.00 C ATOM 414 O GLU A 28 -9.883 8.178 -2.018 1.00 0.00 O ATOM 415 CB GLU A 28 -7.157 7.994 -3.887 1.00 0.00 C ATOM 416 CG GLU A 28 -6.461 8.346 -5.200 1.00 0.00 C ATOM 417 CD GLU A 28 -7.479 8.586 -6.307 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.612 9.741 -6.773 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.129 7.610 -6.731 1.00 0.00 O ATOM 0 H GLU A 28 -6.472 10.373 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.907 9.183 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.403 7.831 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.695 7.054 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.849 9.237 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.788 7.538 -5.488 1.00 0.00 H new ATOM 426 N TYR A 29 -7.989 8.880 -0.999 1.00 0.00 N ATOM 427 CA TYR A 29 -8.331 8.583 0.381 1.00 0.00 C ATOM 428 C TYR A 29 -9.607 9.334 0.817 1.00 0.00 C ATOM 429 O TYR A 29 -10.169 9.069 1.878 1.00 0.00 O ATOM 430 CB TYR A 29 -7.104 8.925 1.241 1.00 0.00 C ATOM 431 CG TYR A 29 -7.233 8.754 2.744 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.975 7.690 3.296 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.576 9.662 3.597 1.00 0.00 C ATOM 434 CE1 TYR A 29 -8.122 7.578 4.688 1.00 0.00 C ATOM 435 CE2 TYR A 29 -6.691 9.532 4.990 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.491 8.509 5.540 1.00 0.00 C ATOM 437 OH TYR A 29 -7.583 8.387 6.892 1.00 0.00 O ATOM 0 H TYR A 29 -7.066 9.306 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.570 7.527 0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.273 8.307 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.832 9.962 1.042 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.432 6.958 2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.982 10.461 3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.718 6.780 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.167 10.216 5.641 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.087 9.115 7.321 1.00 0.00 H new ATOM 447 N LEU A 30 -10.059 10.317 0.037 1.00 0.00 N ATOM 448 CA LEU A 30 -11.255 11.082 0.317 1.00 0.00 C ATOM 449 C LEU A 30 -12.480 10.188 0.088 1.00 0.00 C ATOM 450 O LEU A 30 -13.301 10.050 0.993 1.00 0.00 O ATOM 451 CB LEU A 30 -11.254 12.319 -0.594 1.00 0.00 C ATOM 452 CG LEU A 30 -12.119 13.489 -0.113 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.891 14.646 -1.085 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.621 13.190 -0.085 1.00 0.00 C ATOM 0 H LEU A 30 -9.588 10.602 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.286 11.421 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.227 12.669 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.595 12.020 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.825 13.711 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.491 15.503 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.836 14.921 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.183 14.340 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.161 14.069 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.960 12.934 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.813 12.354 0.587 1.00 0.00 H new ATOM 466 N ARG A 31 -12.618 9.587 -1.101 1.00 0.00 N ATOM 467 CA ARG A 31 -13.764 8.739 -1.440 1.00 0.00 C ATOM 468 C ARG A 31 -13.626 7.275 -1.044 1.00 0.00 C ATOM 469 O ARG A 31 -14.655 6.635 -0.813 1.00 0.00 O ATOM 470 CB ARG A 31 -14.015 8.808 -2.957 1.00 0.00 C ATOM 471 CG ARG A 31 -14.713 10.088 -3.442 1.00 0.00 C ATOM 472 CD ARG A 31 -16.213 10.114 -3.107 1.00 0.00 C ATOM 473 NE ARG A 31 -16.502 10.591 -1.746 1.00 0.00 N ATOM 474 CZ ARG A 31 -16.658 11.858 -1.351 1.00 0.00 C ATOM 475 NH1 ARG A 31 -16.497 12.875 -2.193 1.00 0.00 N ATOM 476 NH2 ARG A 31 -16.968 12.073 -0.082 1.00 0.00 N ATOM 0 H ARG A 31 -11.936 9.676 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.597 9.136 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.059 8.716 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.619 7.949 -3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.230 10.954 -2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.585 10.179 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.726 10.754 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.621 9.110 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.593 9.876 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.249 12.697 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -16.622 13.833 -1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.079 11.285 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.095 13.026 0.257 1.00 0.00 H new ATOM 490 N GLU A 32 -12.419 6.722 -1.006 1.00 0.00 N ATOM 491 CA GLU A 32 -12.156 5.322 -0.663 1.00 0.00 C ATOM 492 C GLU A 32 -10.891 5.255 0.203 1.00 0.00 C ATOM 493 O GLU A 32 -10.442 6.272 0.719 1.00 0.00 O ATOM 494 CB GLU A 32 -11.990 4.496 -1.967 1.00 0.00 C ATOM 495 CG GLU A 32 -13.278 4.446 -2.814 1.00 0.00 C ATOM 496 CD GLU A 32 -13.279 3.444 -3.978 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.386 2.983 -4.344 1.00 0.00 O ATOM 498 OE2 GLU A 32 -12.239 3.177 -4.623 1.00 0.00 O ATOM 0 H GLU A 32 -11.570 7.246 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.988 4.902 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.185 4.926 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.689 3.480 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.113 4.209 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.463 5.442 -3.217 1.00 0.00 H new ATOM 505 N HIS A 33 -10.352 4.060 0.457 1.00 0.00 N ATOM 506 CA HIS A 33 -9.128 3.864 1.230 1.00 0.00 C ATOM 507 C HIS A 33 -8.443 2.631 0.629 1.00 0.00 C ATOM 508 O HIS A 33 -8.300 2.592 -0.592 1.00 0.00 O ATOM 509 CB HIS A 33 -9.417 3.789 2.735 1.00 0.00 C ATOM 510 CG HIS A 33 -8.219 3.945 3.651 1.00 0.00 C ATOM 511 ND1 HIS A 33 -8.293 4.154 5.011 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.886 3.932 3.318 1.00 0.00 C ATOM 513 CE1 HIS A 33 -7.038 4.235 5.485 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.147 4.114 4.488 1.00 0.00 N ATOM 0 H HIS A 33 -10.763 3.188 0.124 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.445 4.711 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.143 4.563 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.889 2.829 2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.481 3.803 2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.782 4.378 6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.131 4.148 4.569 1.00 0.00 H new ATOM 522 N ILE A 34 -8.035 1.636 1.431 1.00 0.00 N ATOM 523 CA ILE A 34 -7.359 0.414 0.990 1.00 0.00 C ATOM 524 C ILE A 34 -7.110 -0.528 2.200 1.00 0.00 C ATOM 525 O ILE A 34 -7.311 -0.083 3.335 1.00 0.00 O ATOM 526 CB ILE A 34 -5.988 0.848 0.352 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.787 0.309 -1.088 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.822 0.664 1.336 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.399 -0.206 -1.493 1.00 0.00 C ATOM 0 H ILE A 34 -8.174 1.665 2.441 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.970 -0.126 0.267 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.012 1.924 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.498 -0.503 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.060 1.105 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.892 0.974 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.996 1.272 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.750 -0.385 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.425 -0.547 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.670 0.598 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.115 -1.035 -0.845 1.00 0.00 H new ATOM 541 N PRO A 35 -6.652 -1.784 1.996 1.00 0.00 N ATOM 542 CA PRO A 35 -6.297 -2.726 3.047 1.00 0.00 C ATOM 543 C PRO A 35 -5.030 -2.221 3.734 1.00 0.00 C ATOM 544 O PRO A 35 -3.925 -2.315 3.224 1.00 0.00 O ATOM 545 CB PRO A 35 -6.099 -4.089 2.386 1.00 0.00 C ATOM 546 CG PRO A 35 -5.828 -3.787 0.914 1.00 0.00 C ATOM 547 CD PRO A 35 -6.409 -2.400 0.703 1.00 0.00 C ATOM 0 HA PRO A 35 -7.071 -2.819 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.266 -4.628 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.984 -4.715 2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.761 -3.809 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.303 -4.521 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.721 -1.789 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.338 -2.464 0.136 1.00 0.00 H new ATOM 555 N GLU A 36 -5.247 -1.634 4.894 1.00 0.00 N ATOM 556 CA GLU A 36 -4.366 -1.077 5.881 1.00 0.00 C ATOM 557 C GLU A 36 -3.132 -0.287 5.439 1.00 0.00 C ATOM 558 O GLU A 36 -2.011 -0.797 5.491 1.00 0.00 O ATOM 559 CB GLU A 36 -4.029 -2.285 6.750 1.00 0.00 C ATOM 560 CG GLU A 36 -3.838 -1.915 8.214 1.00 0.00 C ATOM 561 CD GLU A 36 -5.129 -1.346 8.814 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.210 -0.102 8.955 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.074 -2.110 9.109 1.00 0.00 O ATOM 0 H GLU A 36 -6.212 -1.525 5.207 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.877 -0.256 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.827 -3.023 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.120 -2.755 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.529 -2.796 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.037 -1.181 8.305 1.00 0.00 H new ATOM 570 N ALA A 37 -3.320 0.981 5.069 1.00 0.00 N ATOM 571 CA ALA A 37 -2.234 1.859 4.647 1.00 0.00 C ATOM 572 C ALA A 37 -2.205 3.136 5.487 1.00 0.00 C ATOM 573 O ALA A 37 -3.043 3.341 6.375 1.00 0.00 O ATOM 574 CB ALA A 37 -2.385 2.200 3.167 1.00 0.00 C ATOM 0 H ALA A 37 -4.237 1.428 5.055 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.290 1.336 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.570 2.856 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.355 1.284 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.338 2.704 3.005 1.00 0.00 H new ATOM 580 N ASP A 38 -1.224 3.991 5.199 1.00 0.00 N ATOM 581 CA ASP A 38 -1.001 5.280 5.834 1.00 0.00 C ATOM 582 C ASP A 38 -0.438 6.184 4.750 1.00 0.00 C ATOM 583 O ASP A 38 0.694 5.996 4.296 1.00 0.00 O ATOM 584 CB ASP A 38 -0.049 5.156 7.018 1.00 0.00 C ATOM 585 CG ASP A 38 -0.045 6.373 7.952 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.515 6.250 9.066 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.646 7.429 7.636 1.00 0.00 O ATOM 0 H ASP A 38 -0.531 3.788 4.479 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.925 5.689 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.317 4.271 7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.962 4.997 6.642 1.00 0.00 H new ATOM 592 N LEU A 39 -1.258 7.130 4.309 1.00 0.00 N ATOM 593 CA LEU A 39 -0.999 8.120 3.273 1.00 0.00 C ATOM 594 C LEU A 39 0.428 8.684 3.299 1.00 0.00 C ATOM 595 O LEU A 39 0.828 9.316 4.283 1.00 0.00 O ATOM 596 CB LEU A 39 -2.048 9.242 3.421 1.00 0.00 C ATOM 597 CG LEU A 39 -1.851 10.435 2.469 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.931 9.992 1.009 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.918 11.500 2.723 1.00 0.00 C ATOM 0 H LEU A 39 -2.195 7.232 4.698 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.084 7.632 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.038 8.819 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.028 9.607 4.448 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.862 10.850 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.788 10.855 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.153 9.255 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.908 9.550 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.766 12.337 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.906 11.072 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.844 11.851 3.752 1.00 0.00 H new ATOM 611 N ALA A 40 1.189 8.461 2.226 1.00 0.00 N ATOM 612 CA ALA A 40 2.554 8.937 2.041 1.00 0.00 C ATOM 613 C ALA A 40 2.852 8.953 0.538 1.00 0.00 C ATOM 614 O ALA A 40 3.495 8.023 0.052 1.00 0.00 O ATOM 615 CB ALA A 40 3.549 8.075 2.822 1.00 0.00 C ATOM 0 H ALA A 40 0.853 7.920 1.430 1.00 0.00 H new ATOM 0 HA ALA A 40 2.660 9.947 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.559 8.453 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.308 8.113 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.489 7.044 2.473 1.00 0.00 H new ATOM 621 N PRO A 41 2.384 9.972 -0.212 1.00 0.00 N ATOM 622 CA PRO A 41 2.636 10.074 -1.647 1.00 0.00 C ATOM 623 C PRO A 41 4.143 10.153 -1.917 1.00 0.00 C ATOM 624 O PRO A 41 4.939 10.359 -0.997 1.00 0.00 O ATOM 625 CB PRO A 41 1.876 11.321 -2.119 1.00 0.00 C ATOM 626 CG PRO A 41 1.716 12.161 -0.857 1.00 0.00 C ATOM 627 CD PRO A 41 1.606 11.115 0.246 1.00 0.00 C ATOM 0 HA PRO A 41 2.289 9.199 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.431 11.859 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.909 11.059 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.569 12.821 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.829 12.792 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.994 11.499 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.566 10.837 0.419 1.00 0.00 H new ATOM 635 N LEU A 42 4.543 10.047 -3.188 1.00 0.00 N ATOM 636 CA LEU A 42 5.950 10.092 -3.596 1.00 0.00 C ATOM 637 C LEU A 42 6.680 11.294 -2.995 1.00 0.00 C ATOM 638 O LEU A 42 7.840 11.160 -2.619 1.00 0.00 O ATOM 639 CB LEU A 42 6.039 10.075 -5.130 1.00 0.00 C ATOM 640 CG LEU A 42 7.480 10.096 -5.684 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.316 8.886 -5.242 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.435 10.115 -7.215 1.00 0.00 C ATOM 0 H LEU A 42 3.896 9.927 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 42 6.455 9.208 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.533 9.184 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.499 10.936 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 42 7.955 10.992 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.318 8.962 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.382 8.867 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.842 7.969 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.451 10.130 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.919 9.225 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.902 11.004 -7.552 1.00 0.00 H new ATOM 654 N SER A 43 6.017 12.443 -2.842 1.00 0.00 N ATOM 655 CA SER A 43 6.633 13.629 -2.258 1.00 0.00 C ATOM 656 C SER A 43 7.126 13.384 -0.826 1.00 0.00 C ATOM 657 O SER A 43 8.059 14.057 -0.405 1.00 0.00 O ATOM 658 CB SER A 43 5.646 14.794 -2.329 1.00 0.00 C ATOM 659 OG SER A 43 5.337 14.997 -3.694 1.00 0.00 O ATOM 0 H SER A 43 5.044 12.574 -3.119 1.00 0.00 H new ATOM 0 HA SER A 43 7.522 13.880 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.744 14.570 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.081 15.694 -1.895 1.00 0.00 H new ATOM 0 HG SER A 43 4.702 15.739 -3.779 1.00 0.00 H new ATOM 665 N VAL A 44 6.529 12.470 -0.057 1.00 0.00 N ATOM 666 CA VAL A 44 6.951 12.154 1.309 1.00 0.00 C ATOM 667 C VAL A 44 8.207 11.291 1.215 1.00 0.00 C ATOM 668 O VAL A 44 9.192 11.539 1.908 1.00 0.00 O ATOM 669 CB VAL A 44 5.830 11.416 2.075 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.210 11.171 3.544 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.531 12.227 2.016 1.00 0.00 C ATOM 0 H VAL A 44 5.728 11.921 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 44 7.162 13.070 1.861 1.00 0.00 H new ATOM 0 HB VAL A 44 5.687 10.449 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.396 10.650 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.113 10.563 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.390 12.126 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.747 11.699 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.691 13.205 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.229 12.356 0.977 1.00 0.00 H new ATOM 681 N LEU A 45 8.176 10.294 0.328 1.00 0.00 N ATOM 682 CA LEU A 45 9.269 9.358 0.082 1.00 0.00 C ATOM 683 C LEU A 45 10.506 10.125 -0.388 1.00 0.00 C ATOM 684 O LEU A 45 11.618 9.792 0.002 1.00 0.00 O ATOM 685 CB LEU A 45 8.851 8.308 -0.966 1.00 0.00 C ATOM 686 CG LEU A 45 7.811 7.242 -0.545 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.512 5.976 -0.051 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.844 7.633 0.580 1.00 0.00 C ATOM 0 H LEU A 45 7.361 10.112 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 45 9.508 8.836 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.455 8.838 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.750 7.787 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 45 7.229 7.107 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.766 5.237 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.133 5.569 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.138 6.218 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.167 6.803 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.410 7.867 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.267 8.507 0.277 1.00 0.00 H new ATOM 700 N GLU A 46 10.316 11.133 -1.235 1.00 0.00 N ATOM 701 CA GLU A 46 11.329 12.002 -1.799 1.00 0.00 C ATOM 702 C GLU A 46 11.870 12.961 -0.733 1.00 0.00 C ATOM 703 O GLU A 46 13.060 12.920 -0.416 1.00 0.00 O ATOM 704 CB GLU A 46 10.663 12.796 -2.934 1.00 0.00 C ATOM 705 CG GLU A 46 10.471 12.018 -4.244 1.00 0.00 C ATOM 706 CD GLU A 46 11.761 11.897 -5.054 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.153 12.892 -5.704 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.378 10.809 -5.063 1.00 0.00 O ATOM 0 H GLU A 46 9.382 11.376 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 46 12.169 11.417 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.689 13.145 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.265 13.681 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.095 11.021 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.713 12.515 -4.849 1.00 0.00 H new ATOM 715 N GLN A 47 11.000 13.794 -0.152 1.00 0.00 N ATOM 716 CA GLN A 47 11.373 14.779 0.851 1.00 0.00 C ATOM 717 C GLN A 47 12.002 14.181 2.107 1.00 0.00 C ATOM 718 O GLN A 47 12.917 14.811 2.649 1.00 0.00 O ATOM 719 CB GLN A 47 10.131 15.570 1.287 1.00 0.00 C ATOM 720 CG GLN A 47 9.586 16.565 0.248 1.00 0.00 C ATOM 721 CD GLN A 47 10.166 17.956 0.467 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.360 18.167 0.298 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.362 18.919 0.888 1.00 0.00 N ATOM 0 H GLN A 47 10.004 13.797 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 47 12.120 15.413 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.340 14.863 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.371 16.117 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.832 16.219 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.499 16.606 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.369 18.731 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.735 19.850 1.075 1.00 0.00 H new ATOM 732 N SER A 48 11.546 12.998 2.536 1.00 0.00 N ATOM 733 CA SER A 48 12.023 12.347 3.742 1.00 0.00 C ATOM 734 C SER A 48 12.365 10.875 3.519 1.00 0.00 C ATOM 735 O SER A 48 13.537 10.507 3.600 1.00 0.00 O ATOM 736 CB SER A 48 10.957 12.488 4.849 1.00 0.00 C ATOM 737 OG SER A 48 10.312 13.752 4.879 1.00 0.00 O ATOM 0 H SER A 48 10.827 12.467 2.043 1.00 0.00 H new ATOM 0 HA SER A 48 12.947 12.839 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.204 11.712 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.428 12.310 5.816 1.00 0.00 H new ATOM 0 HG SER A 48 9.651 13.765 5.603 1.00 0.00 H new ATOM 743 N GLY A 49 11.363 10.028 3.271 1.00 0.00 N ATOM 744 CA GLY A 49 11.509 8.597 3.073 1.00 0.00 C ATOM 745 C GLY A 49 10.424 7.856 3.858 1.00 0.00 C ATOM 746 O GLY A 49 9.391 8.435 4.189 1.00 0.00 O ATOM 0 H GLY A 49 10.394 10.339 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.433 8.357 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.496 8.273 3.403 1.00 0.00 H new ATOM 750 N LEU A 50 10.656 6.566 4.110 1.00 0.00 N ATOM 751 CA LEU A 50 9.796 5.631 4.839 1.00 0.00 C ATOM 752 C LEU A 50 9.557 6.104 6.292 1.00 0.00 C ATOM 753 O LEU A 50 10.491 6.051 7.098 1.00 0.00 O ATOM 754 CB LEU A 50 10.469 4.240 4.776 1.00 0.00 C ATOM 755 CG LEU A 50 9.677 3.033 5.318 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.620 2.928 6.840 1.00 0.00 C ATOM 757 CD2 LEU A 50 8.258 2.979 4.749 1.00 0.00 C ATOM 0 H LEU A 50 11.512 6.115 3.787 1.00 0.00 H new ATOM 0 HA LEU A 50 8.808 5.580 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.720 4.036 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.409 4.298 5.325 1.00 0.00 H new ATOM 0 HG LEU A 50 10.249 2.173 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.042 2.048 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.631 2.840 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.146 3.820 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.735 2.114 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.722 3.888 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.304 2.896 3.663 1.00 0.00 H new ATOM 769 N PRO A 51 8.342 6.548 6.676 1.00 0.00 N ATOM 770 CA PRO A 51 8.051 7.017 8.033 1.00 0.00 C ATOM 771 C PRO A 51 8.215 5.954 9.131 1.00 0.00 C ATOM 772 O PRO A 51 7.723 4.828 9.013 1.00 0.00 O ATOM 773 CB PRO A 51 6.589 7.474 8.004 1.00 0.00 C ATOM 774 CG PRO A 51 6.318 7.766 6.531 1.00 0.00 C ATOM 775 CD PRO A 51 7.150 6.685 5.848 1.00 0.00 C ATOM 0 HA PRO A 51 8.764 7.801 8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.922 6.701 8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.436 8.360 8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.259 7.685 6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.636 8.769 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.602 5.745 5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.408 6.971 4.828 1.00 0.00 H new ATOM 783 N ALA A 52 8.787 6.349 10.274 1.00 0.00 N ATOM 784 CA ALA A 52 9.021 5.495 11.441 1.00 0.00 C ATOM 785 C ALA A 52 7.730 4.824 11.941 1.00 0.00 C ATOM 786 O ALA A 52 7.772 3.735 12.510 1.00 0.00 O ATOM 787 CB ALA A 52 9.646 6.330 12.560 1.00 0.00 C ATOM 0 H ALA A 52 9.111 7.306 10.415 1.00 0.00 H new ATOM 0 HA ALA A 52 9.701 4.697 11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.822 5.698 13.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.593 6.747 12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.969 7.140 12.831 1.00 0.00 H new ATOM 793 N LYS A 53 6.560 5.439 11.732 1.00 0.00 N ATOM 794 CA LYS A 53 5.285 4.861 12.169 1.00 0.00 C ATOM 795 C LYS A 53 4.953 3.538 11.462 1.00 0.00 C ATOM 796 O LYS A 53 4.091 2.817 11.961 1.00 0.00 O ATOM 797 CB LYS A 53 4.144 5.882 12.036 1.00 0.00 C ATOM 798 CG LYS A 53 3.796 6.205 10.578 1.00 0.00 C ATOM 799 CD LYS A 53 3.512 7.683 10.315 1.00 0.00 C ATOM 800 CE LYS A 53 2.244 8.128 11.041 1.00 0.00 C ATOM 801 NZ LYS A 53 1.890 9.528 10.752 1.00 0.00 N ATOM 0 H LYS A 53 6.471 6.340 11.261 1.00 0.00 H new ATOM 0 HA LYS A 53 5.396 4.614 13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.257 5.495 12.538 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.425 6.802 12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.620 5.886 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.923 5.621 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.357 8.285 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.402 7.852 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.417 7.480 10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.383 8.006 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.023 9.781 11.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.666 10.152 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.730 9.642 9.731 1.00 0.00 H new ATOM 815 N LEU A 54 5.612 3.195 10.346 1.00 0.00 N ATOM 816 CA LEU A 54 5.399 1.976 9.578 1.00 0.00 C ATOM 817 C LEU A 54 6.759 1.328 9.262 1.00 0.00 C ATOM 818 O LEU A 54 6.951 0.704 8.217 1.00 0.00 O ATOM 819 CB LEU A 54 4.661 2.336 8.273 1.00 0.00 C ATOM 820 CG LEU A 54 3.399 3.216 8.403 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.588 4.561 7.695 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.157 2.523 7.855 1.00 0.00 C ATOM 0 H LEU A 54 6.337 3.789 9.943 1.00 0.00 H new ATOM 0 HA LEU A 54 4.798 1.268 10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.364 2.847 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.378 1.408 7.777 1.00 0.00 H new ATOM 0 HG LEU A 54 3.251 3.388 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.683 5.159 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.430 5.092 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.786 4.390 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.294 3.180 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.304 2.295 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.984 1.598 8.405 1.00 0.00 H new ATOM 834 N ARG A 55 7.693 1.383 10.212 1.00 0.00 N ATOM 835 CA ARG A 55 9.051 0.836 10.100 1.00 0.00 C ATOM 836 C ARG A 55 9.179 -0.628 10.536 1.00 0.00 C ATOM 837 O ARG A 55 10.305 -1.117 10.647 1.00 0.00 O ATOM 838 CB ARG A 55 10.035 1.754 10.844 1.00 0.00 C ATOM 839 CG ARG A 55 9.963 1.591 12.369 1.00 0.00 C ATOM 840 CD ARG A 55 11.199 0.918 12.956 1.00 0.00 C ATOM 841 NE ARG A 55 10.847 0.162 14.172 1.00 0.00 N ATOM 842 CZ ARG A 55 10.793 -1.171 14.298 1.00 0.00 C ATOM 843 NH1 ARG A 55 11.053 -1.969 13.269 1.00 0.00 N ATOM 844 NH2 ARG A 55 10.468 -1.698 15.470 1.00 0.00 N ATOM 0 H ARG A 55 7.521 1.825 11.115 1.00 0.00 H new ATOM 0 HA ARG A 55 9.304 0.818 9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.050 1.540 10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.825 2.791 10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.838 2.572 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.081 1.004 12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.640 0.247 12.219 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.952 1.670 13.193 1.00 0.00 H new ATOM 0 HE ARG A 55 10.621 0.710 15.002 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.299 -1.570 12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.007 -2.981 13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.262 -1.090 16.263 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.423 -2.711 15.579 1.00 0.00 H new ATOM 858 N HIS A 56 8.071 -1.295 10.883 1.00 0.00 N ATOM 859 CA HIS A 56 8.040 -2.704 11.287 1.00 0.00 C ATOM 860 C HIS A 56 8.835 -3.485 10.224 1.00 0.00 C ATOM 861 O HIS A 56 8.767 -3.153 9.041 1.00 0.00 O ATOM 862 CB HIS A 56 6.576 -3.209 11.363 1.00 0.00 C ATOM 863 CG HIS A 56 6.230 -4.193 12.454 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.881 -5.367 12.767 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.105 -4.123 13.232 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.174 -5.965 13.740 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.082 -5.249 14.061 1.00 0.00 N ATOM 0 H HIS A 56 7.149 -0.858 10.890 1.00 0.00 H new ATOM 0 HA HIS A 56 8.479 -2.842 12.275 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.927 -2.341 11.476 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.329 -3.669 10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.365 -3.336 13.209 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.447 -6.901 14.205 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.381 -5.480 14.765 1.00 0.00 H new ATOM 875 N GLU A 57 9.499 -4.558 10.652 1.00 0.00 N ATOM 876 CA GLU A 57 10.364 -5.490 9.920 1.00 0.00 C ATOM 877 C GLU A 57 10.056 -5.787 8.443 1.00 0.00 C ATOM 878 O GLU A 57 10.967 -6.146 7.698 1.00 0.00 O ATOM 879 CB GLU A 57 10.362 -6.803 10.730 1.00 0.00 C ATOM 880 CG GLU A 57 11.474 -7.799 10.378 1.00 0.00 C ATOM 881 CD GLU A 57 12.899 -7.316 10.676 1.00 0.00 C ATOM 882 OE1 GLU A 57 13.829 -8.118 10.429 1.00 0.00 O ATOM 883 OE2 GLU A 57 13.108 -6.182 11.169 1.00 0.00 O ATOM 0 H GLU A 57 9.438 -4.828 11.634 1.00 0.00 H new ATOM 0 HA GLU A 57 11.330 -4.991 9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.441 -6.556 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.400 -7.295 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.299 -8.724 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.403 -8.039 9.317 1.00 0.00 H new ATOM 890 N GLN A 58 8.799 -5.715 8.014 1.00 0.00 N ATOM 891 CA GLN A 58 8.363 -5.979 6.653 1.00 0.00 C ATOM 892 C GLN A 58 7.308 -4.939 6.292 1.00 0.00 C ATOM 893 O GLN A 58 6.517 -4.518 7.145 1.00 0.00 O ATOM 894 CB GLN A 58 7.809 -7.407 6.587 1.00 0.00 C ATOM 895 CG GLN A 58 8.898 -8.445 6.932 1.00 0.00 C ATOM 896 CD GLN A 58 8.512 -9.860 6.532 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.365 -10.273 6.711 1.00 0.00 O ATOM 898 NE2 GLN A 58 9.443 -10.634 5.999 1.00 0.00 N ATOM 0 H GLN A 58 8.029 -5.461 8.632 1.00 0.00 H new ATOM 0 HA GLN A 58 9.183 -5.905 5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.974 -7.508 7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.420 -7.603 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.826 -8.171 6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.094 -8.416 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.387 -10.274 5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.217 -11.591 5.728 1.00 0.00 H new ATOM 907 N ILE A 59 7.322 -4.498 5.034 1.00 0.00 N ATOM 908 CA ILE A 59 6.397 -3.509 4.519 1.00 0.00 C ATOM 909 C ILE A 59 5.883 -3.930 3.130 1.00 0.00 C ATOM 910 O ILE A 59 6.183 -5.023 2.644 1.00 0.00 O ATOM 911 CB ILE A 59 7.011 -2.088 4.592 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.881 -1.656 3.410 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.762 -1.739 5.896 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.460 -0.290 2.869 1.00 0.00 C ATOM 0 H ILE A 59 7.991 -4.829 4.339 1.00 0.00 H new ATOM 0 HA ILE A 59 5.510 -3.460 5.151 1.00 0.00 H new ATOM 0 HB ILE A 59 6.085 -1.514 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.925 -1.618 3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.811 -2.399 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.148 -0.721 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.078 -1.816 6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.591 -2.433 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.101 -0.017 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.424 -0.335 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.555 0.458 3.656 1.00 0.00 H new ATOM 926 N ILE A 60 5.045 -3.098 2.521 1.00 0.00 N ATOM 927 CA ILE A 60 4.427 -3.270 1.208 1.00 0.00 C ATOM 928 C ILE A 60 4.314 -1.870 0.607 1.00 0.00 C ATOM 929 O ILE A 60 4.223 -0.863 1.312 1.00 0.00 O ATOM 930 CB ILE A 60 3.015 -3.930 1.274 1.00 0.00 C ATOM 931 CG1 ILE A 60 3.012 -5.243 2.090 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.429 -4.189 -0.141 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.683 -6.002 1.992 1.00 0.00 C ATOM 0 H ILE A 60 4.759 -2.224 2.962 1.00 0.00 H new ATOM 0 HA ILE A 60 5.039 -3.942 0.606 1.00 0.00 H new ATOM 0 HB ILE A 60 2.378 -3.211 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.819 -5.886 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.219 -5.016 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.445 -4.649 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.339 -3.244 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.091 -4.856 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.741 -6.915 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.877 -5.374 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.486 -6.258 0.951 1.00 0.00 H new ATOM 945 N PHE A 61 4.292 -1.824 -0.713 1.00 0.00 N ATOM 946 CA PHE A 61 4.163 -0.621 -1.509 1.00 0.00 C ATOM 947 C PHE A 61 3.050 -0.802 -2.508 1.00 0.00 C ATOM 948 O PHE A 61 3.007 -1.819 -3.212 1.00 0.00 O ATOM 949 CB PHE A 61 5.457 -0.343 -2.272 1.00 0.00 C ATOM 950 CG PHE A 61 6.386 0.527 -1.482 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.987 1.811 -1.081 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.628 0.028 -1.095 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.833 2.577 -0.270 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.468 0.791 -0.285 1.00 0.00 C ATOM 955 CZ PHE A 61 8.081 2.074 0.135 1.00 0.00 C ATOM 0 H PHE A 61 4.367 -2.666 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 61 3.949 0.215 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.951 -1.286 -2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.224 0.140 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.033 2.206 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.941 -0.952 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.524 3.562 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.424 0.392 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.733 2.666 0.760 1.00 0.00 H new ATOM 965 N HIS A 62 2.164 0.189 -2.604 1.00 0.00 N ATOM 966 CA HIS A 62 1.080 0.151 -3.538 1.00 0.00 C ATOM 967 C HIS A 62 0.484 1.526 -3.770 1.00 0.00 C ATOM 968 O HIS A 62 0.853 2.493 -3.106 1.00 0.00 O ATOM 969 CB HIS A 62 0.049 -0.845 -3.053 1.00 0.00 C ATOM 970 CG HIS A 62 -0.459 -1.678 -4.161 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.687 -2.227 -4.106 1.00 0.00 N ATOM 972 CD2 HIS A 62 0.218 -2.179 -5.242 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.746 -3.121 -5.098 1.00 0.00 C ATOM 974 NE2 HIS A 62 -0.649 -3.060 -5.883 1.00 0.00 N ATOM 0 H HIS A 62 2.192 1.032 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 62 1.455 -0.175 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.490 -1.484 -2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.780 -0.314 -2.585 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.426 -2.005 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.228 -1.937 -5.539 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.567 -3.805 -5.252 1.00 0.00 H new ATOM 982 N CYS A 63 -0.403 1.607 -4.758 1.00 0.00 N ATOM 983 CA CYS A 63 -1.058 2.836 -5.149 1.00 0.00 C ATOM 984 C CYS A 63 -2.401 2.532 -5.830 1.00 0.00 C ATOM 985 O CYS A 63 -3.005 1.484 -5.590 1.00 0.00 O ATOM 986 CB CYS A 63 -0.074 3.591 -6.066 1.00 0.00 C ATOM 987 SG CYS A 63 0.339 2.569 -7.511 1.00 0.00 S ATOM 0 H CYS A 63 -0.687 0.801 -5.315 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.300 3.461 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.517 4.533 -6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.833 3.839 -5.514 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.755 2.135 -8.062 1.00 0.00 H new ATOM 993 N GLN A 64 -2.898 3.485 -6.626 1.00 0.00 N ATOM 994 CA GLN A 64 -4.146 3.387 -7.367 1.00 0.00 C ATOM 995 C GLN A 64 -4.072 2.213 -8.364 1.00 0.00 C ATOM 996 O GLN A 64 -3.007 1.655 -8.631 1.00 0.00 O ATOM 997 CB GLN A 64 -4.393 4.743 -8.070 1.00 0.00 C ATOM 998 CG GLN A 64 -5.856 4.960 -8.485 1.00 0.00 C ATOM 999 CD GLN A 64 -6.122 6.300 -9.167 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -5.644 7.353 -8.741 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -6.879 6.304 -10.250 1.00 0.00 N ATOM 0 H GLN A 64 -2.420 4.374 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.985 3.182 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.089 5.550 -7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.759 4.805 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.153 4.157 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.488 4.884 -7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.273 5.431 -10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.069 7.180 -10.736 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.217 1.841 -8.939 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.375 0.776 -9.910 1.00 0.00 C ATOM 1012 C ALA A 65 -4.922 1.324 -11.269 1.00 0.00 C ATOM 1013 O ALA A 65 -5.723 1.540 -12.183 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.835 0.310 -9.905 1.00 0.00 C ATOM 0 H ALA A 65 -6.100 2.303 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.767 -0.097 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.964 -0.491 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.097 -0.056 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.484 1.145 -10.167 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.616 1.549 -11.385 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.952 2.074 -12.573 1.00 0.00 C ATOM 1022 C GLY A 66 -1.525 1.569 -12.807 1.00 0.00 C ATOM 1023 O GLY A 66 -0.779 2.226 -13.537 1.00 0.00 O ATOM 0 H GLY A 66 -2.965 1.363 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.555 1.824 -13.446 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.927 3.162 -12.504 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.109 0.453 -12.186 1.00 0.00 N ATOM 1028 CA LYS A 67 0.221 -0.192 -12.292 1.00 0.00 C ATOM 1029 C LYS A 67 1.385 0.730 -11.886 1.00 0.00 C ATOM 1030 O LYS A 67 2.557 0.407 -12.054 1.00 0.00 O ATOM 1031 CB LYS A 67 0.368 -0.767 -13.720 1.00 0.00 C ATOM 1032 CG LYS A 67 1.459 -1.825 -13.966 1.00 0.00 C ATOM 1033 CD LYS A 67 1.263 -3.115 -13.161 1.00 0.00 C ATOM 1034 CE LYS A 67 2.261 -4.195 -13.586 1.00 0.00 C ATOM 1035 NZ LYS A 67 1.840 -4.921 -14.800 1.00 0.00 N ATOM 0 H LYS A 67 -1.727 -0.059 -11.556 1.00 0.00 H new ATOM 0 HA LYS A 67 0.278 -1.006 -11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.590 -1.203 -14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.553 0.066 -14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.481 -2.070 -15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.430 -1.397 -13.717 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.383 -2.904 -12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.246 -3.482 -13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.233 -3.735 -13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.389 -4.906 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.553 -5.639 -15.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.926 -5.386 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.744 -4.251 -15.589 1.00 0.00 H new ATOM 1049 N ARG A 68 1.071 1.871 -11.274 1.00 0.00 N ATOM 1050 CA ARG A 68 1.998 2.905 -10.842 1.00 0.00 C ATOM 1051 C ARG A 68 3.056 2.514 -9.811 1.00 0.00 C ATOM 1052 O ARG A 68 3.887 3.373 -9.518 1.00 0.00 O ATOM 1053 CB ARG A 68 1.177 4.125 -10.366 1.00 0.00 C ATOM 1054 CG ARG A 68 1.495 5.417 -11.116 1.00 0.00 C ATOM 1055 CD ARG A 68 1.148 5.346 -12.607 1.00 0.00 C ATOM 1056 NE ARG A 68 1.145 6.692 -13.189 1.00 0.00 N ATOM 1057 CZ ARG A 68 2.194 7.500 -13.366 1.00 0.00 C ATOM 1058 NH1 ARG A 68 3.445 7.077 -13.226 1.00 0.00 N ATOM 1059 NH2 ARG A 68 1.945 8.766 -13.660 1.00 0.00 N ATOM 0 H ARG A 68 0.103 2.108 -11.055 1.00 0.00 H new ATOM 0 HA ARG A 68 2.606 3.132 -11.718 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.116 3.903 -10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.359 4.280 -9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.945 6.240 -10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.556 5.643 -11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.872 4.718 -13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.170 4.882 -12.739 1.00 0.00 H new ATOM 0 HE ARG A 68 0.240 7.052 -13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.630 6.106 -12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.221 7.723 -13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.981 9.090 -13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.717 9.418 -13.803 1.00 0.00 H new ATOM 1073 N THR A 69 3.096 1.296 -9.268 1.00 0.00 N ATOM 1074 CA THR A 69 4.100 0.928 -8.268 1.00 0.00 C ATOM 1075 C THR A 69 5.328 0.256 -8.894 1.00 0.00 C ATOM 1076 O THR A 69 6.435 0.786 -8.822 1.00 0.00 O ATOM 1077 CB THR A 69 3.491 0.029 -7.164 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.077 -0.008 -7.169 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.936 0.467 -5.774 1.00 0.00 C ATOM 0 H THR A 69 2.445 0.547 -9.504 1.00 0.00 H new ATOM 0 HA THR A 69 4.437 1.858 -7.810 1.00 0.00 H new ATOM 0 HB THR A 69 3.864 -0.969 -7.396 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.726 0.907 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.489 -0.187 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.022 0.408 -5.704 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.616 1.494 -5.596 1.00 0.00 H new ATOM 1087 N SER A 70 5.125 -0.899 -9.534 1.00 0.00 N ATOM 1088 CA SER A 70 6.141 -1.744 -10.159 1.00 0.00 C ATOM 1089 C SER A 70 7.187 -1.004 -10.991 1.00 0.00 C ATOM 1090 O SER A 70 8.383 -1.278 -10.883 1.00 0.00 O ATOM 1091 CB SER A 70 5.434 -2.802 -11.015 1.00 0.00 C ATOM 1092 OG SER A 70 6.319 -3.847 -11.340 1.00 0.00 O ATOM 0 H SER A 70 4.189 -1.291 -9.635 1.00 0.00 H new ATOM 0 HA SER A 70 6.709 -2.193 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.575 -3.200 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.052 -2.344 -11.928 1.00 0.00 H new ATOM 0 HG SER A 70 5.852 -4.514 -11.885 1.00 0.00 H new ATOM 1098 N ASN A 71 6.743 -0.026 -11.776 1.00 0.00 N ATOM 1099 CA ASN A 71 7.612 0.743 -12.667 1.00 0.00 C ATOM 1100 C ASN A 71 8.832 1.365 -11.995 1.00 0.00 C ATOM 1101 O ASN A 71 9.880 1.466 -12.640 1.00 0.00 O ATOM 1102 CB ASN A 71 6.805 1.810 -13.415 1.00 0.00 C ATOM 1103 CG ASN A 71 7.391 2.207 -14.773 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.669 2.258 -15.761 1.00 0.00 O ATOM 1105 ND2 ASN A 71 8.665 2.544 -14.893 1.00 0.00 N ATOM 0 H ASN A 71 5.764 0.258 -11.813 1.00 0.00 H new ATOM 0 HA ASN A 71 8.015 0.016 -13.373 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.790 1.443 -13.564 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.733 2.700 -12.789 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.031 2.840 -15.798 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.281 2.508 -14.081 1.00 0.00 H new ATOM 1112 N ASN A 72 8.722 1.802 -10.741 1.00 0.00 N ATOM 1113 CA ASN A 72 9.829 2.425 -10.014 1.00 0.00 C ATOM 1114 C ASN A 72 9.951 1.831 -8.615 1.00 0.00 C ATOM 1115 O ASN A 72 10.453 2.478 -7.694 1.00 0.00 O ATOM 1116 CB ASN A 72 9.673 3.951 -9.999 1.00 0.00 C ATOM 1117 CG ASN A 72 9.684 4.548 -11.401 1.00 0.00 C ATOM 1118 OD1 ASN A 72 10.741 4.742 -11.994 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.529 4.816 -11.984 1.00 0.00 N ATOM 0 H ASN A 72 7.861 1.734 -10.199 1.00 0.00 H new ATOM 0 HA ASN A 72 10.764 2.209 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.739 4.213 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.480 4.391 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.511 5.187 -12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.655 4.652 -11.484 1.00 0.00 H new ATOM 1126 N ALA A 73 9.483 0.590 -8.468 1.00 0.00 N ATOM 1127 CA ALA A 73 9.492 -0.161 -7.229 1.00 0.00 C ATOM 1128 C ALA A 73 10.889 -0.241 -6.599 1.00 0.00 C ATOM 1129 O ALA A 73 10.973 -0.259 -5.374 1.00 0.00 O ATOM 1130 CB ALA A 73 8.910 -1.546 -7.503 1.00 0.00 C ATOM 0 H ALA A 73 9.074 0.068 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 73 8.876 0.358 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.908 -2.128 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.889 -1.445 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.517 -2.054 -8.252 1.00 0.00 H new ATOM 1136 N ASP A 74 11.965 -0.220 -7.393 1.00 0.00 N ATOM 1137 CA ASP A 74 13.356 -0.298 -6.923 1.00 0.00 C ATOM 1138 C ASP A 74 13.681 0.805 -5.921 1.00 0.00 C ATOM 1139 O ASP A 74 14.140 0.510 -4.818 1.00 0.00 O ATOM 1140 CB ASP A 74 14.388 -0.164 -8.056 1.00 0.00 C ATOM 1141 CG ASP A 74 14.358 -1.230 -9.138 1.00 0.00 C ATOM 1142 OD1 ASP A 74 13.684 -2.270 -8.995 1.00 0.00 O ATOM 1143 OD2 ASP A 74 14.951 -0.973 -10.213 1.00 0.00 O ATOM 0 H ASP A 74 11.892 -0.146 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 74 13.427 -1.285 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.247 0.807 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.383 -0.159 -7.611 1.00 0.00 H new ATOM 1148 N LYS A 75 13.425 2.072 -6.282 1.00 0.00 N ATOM 1149 CA LYS A 75 13.725 3.190 -5.391 1.00 0.00 C ATOM 1150 C LYS A 75 12.971 3.019 -4.090 1.00 0.00 C ATOM 1151 O LYS A 75 13.561 3.123 -3.022 1.00 0.00 O ATOM 1152 CB LYS A 75 13.452 4.563 -6.043 1.00 0.00 C ATOM 1153 CG LYS A 75 14.726 5.389 -6.299 1.00 0.00 C ATOM 1154 CD LYS A 75 15.563 5.632 -5.031 1.00 0.00 C ATOM 1155 CE LYS A 75 16.674 6.667 -5.262 1.00 0.00 C ATOM 1156 NZ LYS A 75 16.276 8.038 -4.879 1.00 0.00 N ATOM 0 H LYS A 75 13.015 2.341 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 75 14.795 3.177 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.933 4.410 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.782 5.134 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.341 4.875 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.446 6.350 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.911 5.974 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.006 4.692 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.556 6.378 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.958 6.658 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.065 8.691 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.451 8.330 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.031 8.059 -3.869 1.00 0.00 H new ATOM 1170 N LEU A 76 11.671 2.740 -4.183 1.00 0.00 N ATOM 1171 CA LEU A 76 10.809 2.531 -3.023 1.00 0.00 C ATOM 1172 C LEU A 76 11.390 1.412 -2.141 1.00 0.00 C ATOM 1173 O LEU A 76 11.366 1.509 -0.916 1.00 0.00 O ATOM 1174 CB LEU A 76 9.377 2.194 -3.475 1.00 0.00 C ATOM 1175 CG LEU A 76 8.651 3.249 -4.327 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.289 2.693 -4.763 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.439 4.562 -3.564 1.00 0.00 C ATOM 0 H LEU A 76 11.183 2.652 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 76 10.766 3.448 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.410 1.264 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.776 2.004 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 76 9.276 3.466 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.769 3.436 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.437 1.787 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.692 2.460 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.923 5.276 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.838 4.373 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.405 4.971 -3.269 1.00 0.00 H new ATOM 1189 N ALA A 77 11.933 0.362 -2.762 1.00 0.00 N ATOM 1190 CA ALA A 77 12.538 -0.786 -2.100 1.00 0.00 C ATOM 1191 C ALA A 77 13.701 -0.308 -1.240 1.00 0.00 C ATOM 1192 O ALA A 77 13.703 -0.531 -0.030 1.00 0.00 O ATOM 1193 CB ALA A 77 13.010 -1.856 -3.095 1.00 0.00 C ATOM 0 H ALA A 77 11.962 0.290 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 77 11.778 -1.256 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.453 -2.690 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.160 -2.213 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.753 -1.426 -3.767 1.00 0.00 H new ATOM 1199 N ALA A 78 14.687 0.345 -1.863 1.00 0.00 N ATOM 1200 CA ALA A 78 15.870 0.866 -1.190 1.00 0.00 C ATOM 1201 C ALA A 78 15.474 1.857 -0.093 1.00 0.00 C ATOM 1202 O ALA A 78 16.075 1.873 0.983 1.00 0.00 O ATOM 1203 CB ALA A 78 16.791 1.524 -2.222 1.00 0.00 C ATOM 0 H ALA A 78 14.681 0.527 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 78 16.405 0.045 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.677 1.915 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.090 0.786 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.262 2.340 -2.714 1.00 0.00 H new ATOM 1209 N ILE A 79 14.455 2.674 -0.347 1.00 0.00 N ATOM 1210 CA ILE A 79 13.917 3.674 0.565 1.00 0.00 C ATOM 1211 C ILE A 79 13.366 3.031 1.845 1.00 0.00 C ATOM 1212 O ILE A 79 13.447 3.663 2.897 1.00 0.00 O ATOM 1213 CB ILE A 79 12.849 4.495 -0.189 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.542 5.582 -1.032 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.778 5.102 0.722 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.567 6.279 -1.982 1.00 0.00 C ATOM 0 H ILE A 79 13.960 2.654 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 79 14.712 4.344 0.892 1.00 0.00 H new ATOM 0 HB ILE A 79 12.313 3.804 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.994 6.321 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.351 5.133 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.064 5.664 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.257 4.305 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.249 5.770 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.098 7.038 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.135 5.545 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.772 6.752 -1.405 1.00 0.00 H new ATOM 1228 N ALA A 80 12.829 1.804 1.785 1.00 0.00 N ATOM 1229 CA ALA A 80 12.265 1.135 2.952 1.00 0.00 C ATOM 1230 C ALA A 80 13.137 -0.019 3.470 1.00 0.00 C ATOM 1231 O ALA A 80 12.768 -0.667 4.450 1.00 0.00 O ATOM 1232 CB ALA A 80 10.833 0.746 2.611 1.00 0.00 C ATOM 0 H ALA A 80 12.776 1.255 0.927 1.00 0.00 H new ATOM 0 HA ALA A 80 12.248 1.815 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.380 0.242 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.260 1.642 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.833 0.076 1.752 1.00 0.00 H new ATOM 1238 N ALA A 81 14.281 -0.294 2.837 1.00 0.00 N ATOM 1239 CA ALA A 81 15.213 -1.345 3.244 1.00 0.00 C ATOM 1240 C ALA A 81 15.800 -0.982 4.625 1.00 0.00 C ATOM 1241 O ALA A 81 15.778 0.206 4.975 1.00 0.00 O ATOM 1242 CB ALA A 81 16.339 -1.400 2.201 1.00 0.00 C ATOM 0 H ALA A 81 14.590 0.219 2.011 1.00 0.00 H new ATOM 0 HA ALA A 81 14.712 -2.311 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.053 -2.176 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.917 -1.626 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.847 -0.437 2.163 1.00 0.00 H new ATOM 1248 N PRO A 82 16.403 -1.918 5.387 1.00 0.00 N ATOM 1249 CA PRO A 82 16.616 -3.341 5.106 1.00 0.00 C ATOM 1250 C PRO A 82 15.359 -4.207 5.223 1.00 0.00 C ATOM 1251 O PRO A 82 15.454 -5.420 5.016 1.00 0.00 O ATOM 1252 CB PRO A 82 17.680 -3.801 6.111 1.00 0.00 C ATOM 1253 CG PRO A 82 17.458 -2.881 7.305 1.00 0.00 C ATOM 1254 CD PRO A 82 17.053 -1.571 6.640 1.00 0.00 C ATOM 0 HA PRO A 82 16.923 -3.459 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.551 -4.849 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.687 -3.698 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.679 -3.257 7.968 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.361 -2.769 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.378 -1.005 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.925 -0.942 6.462 1.00 0.00 H new ATOM 1262 N ALA A 83 14.201 -3.638 5.575 1.00 0.00 N ATOM 1263 CA ALA A 83 12.963 -4.394 5.689 1.00 0.00 C ATOM 1264 C ALA A 83 12.631 -5.037 4.341 1.00 0.00 C ATOM 1265 O ALA A 83 13.139 -4.630 3.294 1.00 0.00 O ATOM 1266 CB ALA A 83 11.825 -3.461 6.115 1.00 0.00 C ATOM 0 H ALA A 83 14.102 -2.645 5.787 1.00 0.00 H new ATOM 0 HA ALA A 83 13.083 -5.175 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.900 -4.031 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.064 -3.012 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.701 -2.675 5.370 1.00 0.00 H new ATOM 1272 N GLU A 84 11.779 -6.053 4.361 1.00 0.00 N ATOM 1273 CA GLU A 84 11.356 -6.744 3.151 1.00 0.00 C ATOM 1274 C GLU A 84 10.200 -5.968 2.541 1.00 0.00 C ATOM 1275 O GLU A 84 9.238 -5.655 3.248 1.00 0.00 O ATOM 1276 CB GLU A 84 10.935 -8.175 3.462 1.00 0.00 C ATOM 1277 CG GLU A 84 12.127 -9.125 3.556 1.00 0.00 C ATOM 1278 CD GLU A 84 12.819 -9.310 2.201 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.620 -10.352 1.543 1.00 0.00 O ATOM 1280 OE2 GLU A 84 13.645 -8.450 1.819 1.00 0.00 O ATOM 0 H GLU A 84 11.362 -6.421 5.216 1.00 0.00 H new ATOM 0 HA GLU A 84 12.186 -6.795 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.385 -8.193 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.254 -8.527 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.844 -8.737 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.791 -10.093 3.927 1.00 0.00 H new ATOM 1287 N ILE A 85 10.303 -5.656 1.246 1.00 0.00 N ATOM 1288 CA ILE A 85 9.311 -4.899 0.499 1.00 0.00 C ATOM 1289 C ILE A 85 8.637 -5.808 -0.513 1.00 0.00 C ATOM 1290 O ILE A 85 9.293 -6.580 -1.221 1.00 0.00 O ATOM 1291 CB ILE A 85 9.984 -3.664 -0.177 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.076 -2.439 0.751 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.253 -3.205 -1.447 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.636 -2.764 2.132 1.00 0.00 C ATOM 0 H ILE A 85 11.104 -5.934 0.678 1.00 0.00 H new ATOM 0 HA ILE A 85 8.542 -4.522 1.173 1.00 0.00 H new ATOM 0 HB ILE A 85 10.984 -4.022 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.705 -1.683 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.084 -2.003 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.768 -2.343 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.243 -4.017 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.229 -2.929 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.673 -1.855 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.995 -3.497 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.641 -3.172 2.030 1.00 0.00 H new ATOM 1306 N PHE A 86 7.322 -5.618 -0.626 1.00 0.00 N ATOM 1307 CA PHE A 86 6.458 -6.348 -1.526 1.00 0.00 C ATOM 1308 C PHE A 86 5.512 -5.408 -2.252 1.00 0.00 C ATOM 1309 O PHE A 86 5.454 -4.213 -1.949 1.00 0.00 O ATOM 1310 CB PHE A 86 5.719 -7.440 -0.743 1.00 0.00 C ATOM 1311 CG PHE A 86 6.613 -8.264 0.165 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.457 -8.186 1.556 1.00 0.00 C ATOM 1313 CD2 PHE A 86 7.651 -9.044 -0.372 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.305 -8.919 2.402 1.00 0.00 C ATOM 1315 CE2 PHE A 86 8.465 -9.822 0.466 1.00 0.00 C ATOM 1316 CZ PHE A 86 8.270 -9.784 1.856 1.00 0.00 C ATOM 0 H PHE A 86 6.821 -4.925 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 86 7.055 -6.833 -2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.938 -6.975 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.224 -8.106 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.683 -7.561 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.824 -9.045 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.216 -8.818 3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.238 -10.447 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.859 -10.417 2.503 1.00 0.00 H new ATOM 1326 N LEU A 87 4.782 -5.961 -3.216 1.00 0.00 N ATOM 1327 CA LEU A 87 3.837 -5.276 -4.064 1.00 0.00 C ATOM 1328 C LEU A 87 2.540 -6.060 -3.965 1.00 0.00 C ATOM 1329 O LEU A 87 2.527 -7.251 -4.262 1.00 0.00 O ATOM 1330 CB LEU A 87 4.394 -5.255 -5.499 1.00 0.00 C ATOM 1331 CG LEU A 87 4.417 -3.847 -6.092 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.570 -2.971 -5.578 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.535 -3.946 -7.615 1.00 0.00 C ATOM 0 H LEU A 87 4.845 -6.956 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 87 3.665 -4.241 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.404 -5.664 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.787 -5.903 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 87 3.487 -3.371 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.517 -1.988 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.490 -2.863 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.522 -3.440 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.552 -2.944 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.456 -4.468 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.681 -4.496 -8.011 1.00 0.00 H new ATOM 1345 N LEU A 88 1.466 -5.385 -3.572 1.00 0.00 N ATOM 1346 CA LEU A 88 0.135 -5.976 -3.389 1.00 0.00 C ATOM 1347 C LEU A 88 -0.644 -6.296 -4.684 1.00 0.00 C ATOM 1348 O LEU A 88 -1.782 -6.750 -4.616 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.676 -5.029 -2.485 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.253 -5.695 -1.233 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.040 -4.635 -0.463 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.184 -6.843 -1.594 1.00 0.00 C ATOM 0 H LEU A 88 1.492 -4.386 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 88 0.285 -6.955 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.037 -4.201 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.494 -4.603 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.438 -6.101 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.465 -5.080 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.374 -3.818 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.843 -4.250 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.576 -7.294 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.010 -6.466 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.634 -7.593 -2.162 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.060 -6.021 -5.852 1.00 0.00 N ATOM 1365 CA GLU A 89 -0.587 -6.220 -7.207 1.00 0.00 C ATOM 1366 C GLU A 89 -1.959 -5.571 -7.535 1.00 0.00 C ATOM 1367 O GLU A 89 -2.887 -5.463 -6.738 1.00 0.00 O ATOM 1368 CB GLU A 89 -0.567 -7.726 -7.543 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.935 -7.965 -9.013 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.793 -9.415 -9.444 1.00 0.00 C ATOM 1371 OE1 GLU A 89 0.314 -9.776 -9.903 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.807 -10.150 -9.445 1.00 0.00 O ATOM 0 H GLU A 89 0.877 -5.618 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 89 0.087 -5.664 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.423 -8.134 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.268 -8.256 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.963 -7.644 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.301 -7.343 -9.644 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.098 -5.098 -8.779 1.00 0.00 N ATOM 1380 CA ASP A 90 -3.298 -4.479 -9.355 1.00 0.00 C ATOM 1381 C ASP A 90 -3.807 -3.210 -8.686 1.00 0.00 C ATOM 1382 O ASP A 90 -4.745 -2.578 -9.178 1.00 0.00 O ATOM 1383 CB ASP A 90 -4.382 -5.533 -9.627 1.00 0.00 C ATOM 1384 CG ASP A 90 -3.964 -6.623 -10.612 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -3.094 -6.402 -11.492 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -4.563 -7.719 -10.548 1.00 0.00 O ATOM 0 H ASP A 90 -1.331 -5.139 -9.450 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.972 -4.077 -10.314 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.663 -6.000 -8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.271 -5.033 -10.012 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.097 -2.691 -7.695 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.489 -1.482 -7.001 1.00 0.00 C ATOM 1393 C GLY A 91 -4.723 -1.795 -6.174 1.00 0.00 C ATOM 1394 O GLY A 91 -4.725 -2.698 -5.335 1.00 0.00 O ATOM 0 H GLY A 91 -2.229 -3.102 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.680 -1.131 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.700 -0.685 -7.714 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.776 -1.039 -6.432 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.045 -1.185 -5.729 1.00 0.00 C ATOM 1400 C ILE A 92 -7.859 -2.349 -6.301 1.00 0.00 C ATOM 1401 O ILE A 92 -8.658 -2.959 -5.588 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.776 0.185 -5.724 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.636 0.872 -4.351 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -9.243 0.156 -6.171 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.377 0.158 -3.211 1.00 0.00 C ATOM 0 H ILE A 92 -5.778 -0.302 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.883 -1.457 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.268 0.771 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.578 0.938 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.009 1.893 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.656 1.164 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.305 -0.220 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.812 -0.497 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.227 0.706 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.442 0.115 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.988 -0.855 -3.103 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.644 -2.679 -7.578 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.360 -3.760 -8.240 1.00 0.00 C ATOM 1419 C ASP A 93 -8.095 -5.095 -7.545 1.00 0.00 C ATOM 1420 O ASP A 93 -9.029 -5.884 -7.405 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.992 -3.789 -9.726 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.565 -5.015 -10.440 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -9.770 -4.981 -10.791 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -7.812 -5.983 -10.687 1.00 0.00 O ATOM 0 H ASP A 93 -6.969 -2.202 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.433 -3.582 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.362 -2.884 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.907 -3.784 -9.830 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.868 -5.315 -7.057 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.473 -6.536 -6.365 1.00 0.00 C ATOM 1431 C GLY A 94 -7.262 -6.712 -5.069 1.00 0.00 C ATOM 1432 O GLY A 94 -7.939 -7.725 -4.918 1.00 0.00 O ATOM 0 H GLY A 94 -6.113 -4.634 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.638 -7.396 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.406 -6.504 -6.144 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.239 -5.715 -4.170 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.953 -5.734 -2.886 1.00 0.00 C ATOM 1438 C TRP A 95 -9.378 -6.244 -3.105 1.00 0.00 C ATOM 1439 O TRP A 95 -9.822 -7.216 -2.486 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.011 -4.329 -2.273 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.867 -4.223 -1.041 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.895 -3.367 -0.874 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.837 -5.024 0.184 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.426 -3.530 0.387 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.796 -4.516 1.099 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.047 -6.089 0.643 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.957 -5.025 2.400 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.189 -6.623 1.936 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.150 -6.097 2.819 1.00 0.00 C ATOM 0 H TRP A 95 -6.712 -4.855 -4.320 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.418 -6.393 -2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.998 -4.012 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.388 -3.634 -3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.247 -2.663 -1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.203 -2.977 0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.306 -6.512 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.691 -4.598 3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.558 -7.440 2.253 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.266 -6.513 3.809 1.00 0.00 H new ATOM 1460 N LYS A 96 -10.081 -5.579 -4.027 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.452 -5.892 -4.375 1.00 0.00 C ATOM 1462 C LYS A 96 -11.607 -7.231 -5.095 1.00 0.00 C ATOM 1463 O LYS A 96 -12.652 -7.851 -4.918 1.00 0.00 O ATOM 1464 CB LYS A 96 -12.027 -4.710 -5.162 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.519 -4.900 -5.451 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.111 -3.630 -6.055 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.529 -3.932 -6.546 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.898 -3.078 -7.689 1.00 0.00 N ATOM 0 H LYS A 96 -9.698 -4.796 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.029 -6.029 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.879 -3.789 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.485 -4.599 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.659 -5.736 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.045 -5.151 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.131 -2.832 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.492 -3.281 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.599 -4.980 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.237 -3.778 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.864 -3.308 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.854 -2.079 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.236 -3.243 -8.474 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.624 -7.721 -5.858 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.728 -9.003 -6.564 1.00 0.00 C ATOM 1484 C LYS A 97 -11.037 -10.138 -5.596 1.00 0.00 C ATOM 1485 O LYS A 97 -11.823 -11.016 -5.943 1.00 0.00 O ATOM 1486 CB LYS A 97 -9.445 -9.320 -7.355 1.00 0.00 C ATOM 1487 CG LYS A 97 -9.738 -9.757 -8.798 1.00 0.00 C ATOM 1488 CD LYS A 97 -10.173 -8.572 -9.681 1.00 0.00 C ATOM 1489 CE LYS A 97 -9.708 -8.762 -11.128 1.00 0.00 C ATOM 1490 NZ LYS A 97 -10.580 -9.658 -11.915 1.00 0.00 N ATOM 0 H LYS A 97 -9.736 -7.241 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.551 -8.912 -7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.803 -8.439 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.893 -10.109 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.848 -10.220 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.522 -10.515 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.258 -8.474 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.760 -7.646 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.664 -7.789 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.695 -9.164 -11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.208 -9.742 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.604 -10.598 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.543 -9.266 -11.947 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.480 -10.107 -4.384 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.710 -11.120 -3.363 1.00 0.00 C ATOM 1506 C ALA A 98 -12.087 -10.945 -2.691 1.00 0.00 C ATOM 1507 O ALA A 98 -12.382 -11.609 -1.698 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.583 -11.012 -2.338 1.00 0.00 C ATOM 0 H ALA A 98 -9.848 -9.365 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.713 -12.110 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.727 -11.760 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.626 -11.182 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.590 -10.017 -1.893 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.935 -10.034 -3.178 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.262 -9.752 -2.660 1.00 0.00 C ATOM 1516 C GLY A 99 -14.178 -9.036 -1.319 1.00 0.00 C ATOM 1517 O GLY A 99 -14.842 -9.459 -0.363 1.00 0.00 O ATOM 0 H GLY A 99 -12.697 -9.451 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.812 -9.137 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.818 -10.682 -2.546 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.357 -7.983 -1.221 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.157 -7.199 -0.013 1.00 0.00 C ATOM 1523 C LEU A 100 -13.305 -5.711 -0.338 1.00 0.00 C ATOM 1524 O LEU A 100 -12.643 -5.228 -1.255 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.758 -7.474 0.538 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.668 -8.799 1.307 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.243 -9.333 1.298 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.107 -8.570 2.756 1.00 0.00 C ATOM 0 H LEU A 100 -12.801 -7.650 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.901 -7.476 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.045 -7.489 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.466 -6.657 1.197 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.319 -9.528 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.203 -10.273 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.924 -9.502 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.580 -8.608 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.045 -9.508 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.454 -7.832 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.135 -8.207 2.772 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.164 -4.965 0.375 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.367 -3.546 0.140 1.00 0.00 C ATOM 1542 C PRO A 101 -13.358 -2.696 0.921 1.00 0.00 C ATOM 1543 O PRO A 101 -12.762 -3.137 1.907 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.772 -3.288 0.664 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.856 -4.212 1.874 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.008 -5.419 1.467 1.00 0.00 C ATOM 0 HA PRO A 101 -14.237 -3.284 -0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.915 -2.244 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.532 -3.526 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.466 -3.733 2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.885 -4.499 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.406 -5.773 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.638 -6.251 1.153 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.140 -1.469 0.459 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.252 -0.462 1.027 1.00 0.00 C ATOM 1556 C VAL A 102 -12.933 0.230 2.218 1.00 0.00 C ATOM 1557 O VAL A 102 -14.121 -0.006 2.478 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.988 0.585 -0.080 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.966 0.089 -1.098 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.270 0.962 -0.849 1.00 0.00 C ATOM 0 H VAL A 102 -13.612 -1.129 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.326 -0.921 1.374 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.604 1.462 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.809 0.854 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.023 -0.120 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.335 -0.822 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.031 1.700 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.687 0.072 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.000 1.381 -0.156 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.207 1.114 2.921 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.811 1.845 4.040 1.00 0.00 C ATOM 1572 C ALA A 103 -13.629 3.031 3.487 1.00 0.00 C ATOM 1573 O ALA A 103 -13.170 4.175 3.487 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.764 2.300 5.060 1.00 0.00 C ATOM 0 H ALA A 103 -11.228 1.334 2.740 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.480 1.174 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.256 2.837 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.246 1.430 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.044 2.958 4.573 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.807 2.757 2.925 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.703 3.774 2.373 1.00 0.00 C ATOM 1582 C VAL A 104 -16.606 4.309 3.491 1.00 0.00 C ATOM 1583 O VAL A 104 -16.900 3.592 4.453 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.567 3.192 1.231 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.850 3.372 -0.109 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.974 1.721 1.416 1.00 0.00 C ATOM 0 H VAL A 104 -15.171 1.808 2.839 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.102 4.585 1.961 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.499 3.757 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.465 2.959 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.681 4.433 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.893 2.852 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.577 1.401 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.080 1.101 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.554 1.617 2.333 1.00 0.00 H new ATOM 1596 N ASN A 105 -17.085 5.549 3.355 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.955 6.171 4.343 1.00 0.00 C ATOM 1598 C ASN A 105 -19.409 5.811 4.055 1.00 0.00 C ATOM 1599 O ASN A 105 -20.143 6.527 3.362 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.740 7.679 4.427 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.246 8.196 5.769 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -19.396 7.997 6.148 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.391 8.828 6.551 1.00 0.00 N ATOM 0 H ASN A 105 -16.877 6.146 2.554 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.695 5.777 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.681 7.912 4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.266 8.177 3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -17.686 9.152 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.436 8.992 6.234 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.818 4.638 4.528 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.182 4.163 4.334 1.00 0.00 C ATOM 1612 C LYS A 106 -22.144 4.916 5.245 1.00 0.00 C ATOM 1613 O LYS A 106 -21.728 5.634 6.150 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.242 2.652 4.518 1.00 0.00 C ATOM 1615 CG LYS A 106 -20.499 1.985 3.355 1.00 0.00 C ATOM 1616 CD LYS A 106 -20.593 0.468 3.409 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.037 -0.041 3.353 1.00 0.00 C ATOM 1618 NZ LYS A 106 -22.082 -1.508 3.278 1.00 0.00 N ATOM 0 H LYS A 106 -19.221 3.997 5.050 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.500 4.369 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.789 2.369 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -22.278 2.316 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -20.912 2.340 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -19.451 2.284 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.031 0.044 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.123 0.112 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.579 0.297 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.542 0.386 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -23.072 -1.824 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.585 -1.827 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.621 -1.913 4.118 1.00 0.00 H new ATOM 1632 N SER A 107 -23.442 4.727 5.007 1.00 0.00 N ATOM 1633 CA SER A 107 -24.566 5.343 5.710 1.00 0.00 C ATOM 1634 C SER A 107 -24.717 6.836 5.376 1.00 0.00 C ATOM 1635 O SER A 107 -25.838 7.344 5.419 1.00 0.00 O ATOM 1636 CB SER A 107 -24.495 5.123 7.222 1.00 0.00 C ATOM 1637 OG SER A 107 -24.349 3.754 7.582 1.00 0.00 O ATOM 0 H SER A 107 -23.756 4.097 4.269 1.00 0.00 H new ATOM 0 HA SER A 107 -25.461 4.837 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.656 5.690 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 107 -25.400 5.519 7.683 1.00 0.00 H new ATOM 0 HG SER A 107 -24.308 3.675 8.558 1.00 0.00 H new ATOM 1643 N GLN A 108 -23.636 7.531 5.020 1.00 0.00 N ATOM 1644 CA GLN A 108 -23.622 8.933 4.648 1.00 0.00 C ATOM 1645 C GLN A 108 -24.409 9.077 3.361 1.00 0.00 C ATOM 1646 O GLN A 108 -24.027 8.415 2.376 1.00 0.00 O ATOM 1647 CB GLN A 108 -22.155 9.352 4.478 1.00 0.00 C ATOM 1648 CG GLN A 108 -21.967 10.815 4.067 1.00 0.00 C ATOM 1649 CD GLN A 108 -20.509 11.224 4.264 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -20.063 11.410 5.398 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -19.726 11.373 3.206 1.00 0.00 N ATOM 0 H GLN A 108 -22.709 7.107 4.984 1.00 0.00 H new ATOM 0 HA GLN A 108 -24.079 9.574 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -21.628 9.179 5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -21.690 8.712 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -22.254 10.949 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -22.618 11.456 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -20.099 11.218 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -18.750 11.643 3.328 1.00 0.00 H new TER 1660 GLN A 108