USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=15 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 29 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 33 HIS : no HD1:sc= -0.489 K(o=-0.49,f=0.054) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0044 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00376 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.0039) USER MOD Single : A 11 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.072) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00629) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 0.0263 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 58 GLN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-5.6!) USER MOD Single : A 63 CYS SG : rot 97:sc= -0.846 USER MOD Single : A 64 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.78) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.13) USER MOD Single : A 72 ASN : amide:sc= -0.0825 X(o=-0.082,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.317) 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 X(o=0,f=-0.0041) 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= -1.97! K(o=-2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.079 -4.932 -8.575 1.00 0.00 N ATOM 2 CA ALA A 1 11.819 -4.885 -7.818 1.00 0.00 C ATOM 3 C ALA A 1 11.829 -5.930 -6.706 1.00 0.00 C ATOM 4 O ALA A 1 12.161 -7.083 -6.967 1.00 0.00 O ATOM 5 CB ALA A 1 10.602 -5.089 -8.730 1.00 0.00 C ATOM 0 H1 ALA A 1 12.879 -4.825 -9.590 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.701 -4.160 -8.261 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.549 -5.845 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 1 11.737 -3.893 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.690 -5.048 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.578 -4.304 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.672 -6.061 -9.219 1.00 0.00 H new ATOM 11 N LEU A 2 11.401 -5.498 -5.515 1.00 0.00 N ATOM 12 CA LEU A 2 11.275 -6.172 -4.219 1.00 0.00 C ATOM 13 C LEU A 2 10.602 -7.545 -4.326 1.00 0.00 C ATOM 14 O LEU A 2 11.249 -8.510 -4.735 1.00 0.00 O ATOM 15 CB LEU A 2 10.604 -5.207 -3.237 1.00 0.00 C ATOM 16 CG LEU A 2 11.376 -3.890 -3.002 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.852 -4.151 -2.691 1.00 0.00 C ATOM 18 CD2 LEU A 2 11.142 -2.862 -4.115 1.00 0.00 C ATOM 0 H LEU A 2 11.092 -4.530 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 2 12.263 -6.414 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.607 -4.968 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.476 -5.713 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 2 10.963 -3.423 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 2 13.364 -3.202 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.932 -4.762 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.313 -4.675 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.708 -1.956 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.471 -3.276 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.080 -2.621 -4.171 1.00 0.00 H new ATOM 30 N THR A 3 9.309 -7.644 -4.025 1.00 0.00 N ATOM 31 CA THR A 3 8.532 -8.879 -4.077 1.00 0.00 C ATOM 32 C THR A 3 7.131 -8.547 -4.589 1.00 0.00 C ATOM 33 O THR A 3 6.682 -7.401 -4.534 1.00 0.00 O ATOM 34 CB THR A 3 8.532 -9.557 -2.689 1.00 0.00 C ATOM 35 OG1 THR A 3 9.869 -9.711 -2.271 1.00 0.00 O ATOM 36 CG2 THR A 3 7.907 -10.955 -2.686 1.00 0.00 C ATOM 0 H THR A 3 8.756 -6.840 -3.729 1.00 0.00 H new ATOM 0 HA THR A 3 8.975 -9.598 -4.767 1.00 0.00 H new ATOM 0 HB THR A 3 7.941 -8.919 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.889 -10.139 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.943 -11.367 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.870 -10.891 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.463 -11.603 -3.363 1.00 0.00 H new ATOM 44 N THR A 4 6.419 -9.556 -5.070 1.00 0.00 N ATOM 45 CA THR A 4 5.075 -9.470 -5.614 1.00 0.00 C ATOM 46 C THR A 4 4.193 -10.426 -4.804 1.00 0.00 C ATOM 47 O THR A 4 4.711 -11.346 -4.165 1.00 0.00 O ATOM 48 CB THR A 4 5.139 -9.843 -7.111 1.00 0.00 C ATOM 49 OG1 THR A 4 6.456 -9.840 -7.650 1.00 0.00 O ATOM 50 CG2 THR A 4 4.362 -8.833 -7.935 1.00 0.00 C ATOM 0 H THR A 4 6.785 -10.508 -5.091 1.00 0.00 H new ATOM 0 HA THR A 4 4.651 -8.468 -5.542 1.00 0.00 H new ATOM 0 HB THR A 4 4.727 -10.851 -7.164 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.422 -10.086 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.414 -9.106 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.321 -8.825 -7.613 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.792 -7.841 -7.795 1.00 0.00 H new ATOM 58 N ILE A 5 2.876 -10.220 -4.780 1.00 0.00 N ATOM 59 CA ILE A 5 1.967 -11.067 -4.013 1.00 0.00 C ATOM 60 C ILE A 5 0.547 -10.924 -4.561 1.00 0.00 C ATOM 61 O ILE A 5 0.127 -9.827 -4.955 1.00 0.00 O ATOM 62 CB ILE A 5 2.101 -10.705 -2.508 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.089 -11.426 -1.600 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.077 -9.180 -2.272 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.540 -11.429 -0.134 1.00 0.00 C ATOM 0 H ILE A 5 2.413 -9.466 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 5 2.223 -12.122 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 5 3.083 -11.076 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.117 -10.939 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.960 -12.453 -1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.173 -8.975 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.906 -8.716 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.135 -8.770 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.798 -11.947 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.499 -11.939 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.643 -10.402 0.217 1.00 0.00 H new ATOM 77 N SER A 6 -0.171 -12.044 -4.604 1.00 0.00 N ATOM 78 CA SER A 6 -1.544 -12.144 -5.066 1.00 0.00 C ATOM 79 C SER A 6 -2.485 -11.544 -4.002 1.00 0.00 C ATOM 80 O SER A 6 -2.066 -11.304 -2.863 1.00 0.00 O ATOM 81 CB SER A 6 -1.855 -13.634 -5.276 1.00 0.00 C ATOM 82 OG SER A 6 -0.854 -14.280 -6.040 1.00 0.00 O ATOM 0 H SER A 6 0.209 -12.942 -4.304 1.00 0.00 H new ATOM 0 HA SER A 6 -1.686 -11.597 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.946 -14.126 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.817 -13.737 -5.778 1.00 0.00 H new ATOM 0 HG SER A 6 -1.086 -15.226 -6.151 1.00 0.00 H new ATOM 88 N PRO A 7 -3.762 -11.281 -4.324 1.00 0.00 N ATOM 89 CA PRO A 7 -4.680 -10.733 -3.339 1.00 0.00 C ATOM 90 C PRO A 7 -5.057 -11.826 -2.328 1.00 0.00 C ATOM 91 O PRO A 7 -4.787 -13.006 -2.559 1.00 0.00 O ATOM 92 CB PRO A 7 -5.851 -10.218 -4.166 1.00 0.00 C ATOM 93 CG PRO A 7 -5.911 -11.184 -5.343 1.00 0.00 C ATOM 94 CD PRO A 7 -4.437 -11.487 -5.599 1.00 0.00 C ATOM 0 HA PRO A 7 -4.268 -9.925 -2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.779 -10.224 -3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.688 -9.192 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.474 -12.085 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.390 -10.734 -6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.304 -12.510 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.030 -10.830 -6.367 1.00 0.00 H new ATOM 102 N HIS A 8 -5.707 -11.442 -1.225 1.00 0.00 N ATOM 103 CA HIS A 8 -6.162 -12.279 -0.107 1.00 0.00 C ATOM 104 C HIS A 8 -4.994 -12.775 0.750 1.00 0.00 C ATOM 105 O HIS A 8 -5.089 -12.765 1.972 1.00 0.00 O ATOM 106 CB HIS A 8 -7.084 -13.422 -0.573 1.00 0.00 C ATOM 107 CG HIS A 8 -8.008 -13.989 0.483 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.389 -13.975 0.441 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.635 -14.622 1.639 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.840 -14.559 1.565 1.00 0.00 C ATOM 111 NE2 HIS A 8 -8.807 -14.957 2.331 1.00 0.00 N ATOM 0 H HIS A 8 -5.948 -10.462 -1.078 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.769 -11.644 0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.690 -13.060 -1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.464 -14.231 -0.959 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.624 -14.826 1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.882 -14.690 1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.866 -15.415 3.241 1.00 0.00 H new ATOM 119 N ASP A 9 -3.872 -13.141 0.139 1.00 0.00 N ATOM 120 CA ASP A 9 -2.671 -13.623 0.819 1.00 0.00 C ATOM 121 C ASP A 9 -2.170 -12.541 1.770 1.00 0.00 C ATOM 122 O ASP A 9 -1.931 -12.778 2.958 1.00 0.00 O ATOM 123 CB ASP A 9 -1.587 -13.925 -0.230 1.00 0.00 C ATOM 124 CG ASP A 9 -1.883 -15.118 -1.128 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.333 -15.177 -2.250 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.664 -16.023 -0.752 1.00 0.00 O ATOM 0 H ASP A 9 -3.768 -13.110 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.898 -14.529 1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.450 -13.043 -0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.642 -14.101 0.284 1.00 0.00 H new ATOM 131 N ALA A 10 -2.063 -11.321 1.244 1.00 0.00 N ATOM 132 CA ALA A 10 -1.593 -10.183 2.001 1.00 0.00 C ATOM 133 C ALA A 10 -2.546 -9.750 3.111 1.00 0.00 C ATOM 134 O ALA A 10 -2.076 -9.221 4.112 1.00 0.00 O ATOM 135 CB ALA A 10 -1.298 -9.042 1.042 1.00 0.00 C ATOM 0 H ALA A 10 -2.303 -11.103 0.277 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.681 -10.482 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.943 -8.178 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.533 -9.353 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.207 -8.776 0.503 1.00 0.00 H new ATOM 141 N GLN A 11 -3.858 -9.959 2.975 1.00 0.00 N ATOM 142 CA GLN A 11 -4.843 -9.595 3.984 1.00 0.00 C ATOM 143 C GLN A 11 -4.547 -10.319 5.307 1.00 0.00 C ATOM 144 O GLN A 11 -5.006 -9.881 6.358 1.00 0.00 O ATOM 145 CB GLN A 11 -6.222 -9.951 3.411 1.00 0.00 C ATOM 146 CG GLN A 11 -7.412 -9.747 4.354 1.00 0.00 C ATOM 147 CD GLN A 11 -7.953 -11.096 4.817 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.956 -11.580 4.299 1.00 0.00 O ATOM 149 NE2 GLN A 11 -7.254 -11.782 5.706 1.00 0.00 N ATOM 0 H GLN A 11 -4.267 -10.392 2.147 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.810 -8.530 4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.387 -9.353 2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.206 -10.995 3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.105 -9.155 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.197 -9.187 3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.423 -11.370 6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.546 -12.723 5.968 1.00 0.00 H new ATOM 158 N GLU A 12 -3.849 -11.453 5.267 1.00 0.00 N ATOM 159 CA GLU A 12 -3.487 -12.238 6.433 1.00 0.00 C ATOM 160 C GLU A 12 -2.395 -11.457 7.181 1.00 0.00 C ATOM 161 O GLU A 12 -2.636 -10.924 8.263 1.00 0.00 O ATOM 162 CB GLU A 12 -3.094 -13.655 5.947 1.00 0.00 C ATOM 163 CG GLU A 12 -3.538 -14.815 6.855 1.00 0.00 C ATOM 164 CD GLU A 12 -2.677 -15.106 8.091 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.839 -16.201 8.689 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.877 -14.256 8.532 1.00 0.00 O ATOM 0 H GLU A 12 -3.513 -11.858 4.393 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.297 -12.390 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.519 -13.810 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.010 -13.695 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.554 -14.611 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.579 -15.721 6.250 1.00 0.00 H new ATOM 173 N LEU A 13 -1.218 -11.303 6.566 1.00 0.00 N ATOM 174 CA LEU A 13 -0.058 -10.608 7.124 1.00 0.00 C ATOM 175 C LEU A 13 -0.319 -9.153 7.535 1.00 0.00 C ATOM 176 O LEU A 13 0.180 -8.719 8.576 1.00 0.00 O ATOM 177 CB LEU A 13 1.161 -10.762 6.187 1.00 0.00 C ATOM 178 CG LEU A 13 0.943 -10.387 4.709 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.087 -8.905 4.363 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.928 -11.117 3.801 1.00 0.00 C ATOM 0 H LEU A 13 -1.043 -11.673 5.632 1.00 0.00 H new ATOM 0 HA LEU A 13 0.171 -11.099 8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.972 -10.148 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.496 -11.798 6.230 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.095 -10.678 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.912 -8.762 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.359 -8.326 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.093 -8.569 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.748 -10.831 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.947 -10.849 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.793 -12.193 3.909 1.00 0.00 H new ATOM 192 N ILE A 14 -1.142 -8.405 6.801 1.00 0.00 N ATOM 193 CA ILE A 14 -1.443 -7.005 7.109 1.00 0.00 C ATOM 194 C ILE A 14 -2.161 -6.880 8.447 1.00 0.00 C ATOM 195 O ILE A 14 -1.822 -6.038 9.285 1.00 0.00 O ATOM 196 CB ILE A 14 -2.214 -6.389 5.912 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.361 -5.298 5.239 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.667 -5.963 6.189 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.552 -5.325 3.721 1.00 0.00 C ATOM 0 H ILE A 14 -1.622 -8.754 5.971 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.525 -6.431 7.234 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.362 -7.202 5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.640 -4.319 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.309 -5.450 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.104 -5.547 5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.246 -6.830 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.681 -5.209 6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.941 -4.547 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.250 -6.298 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.601 -5.149 3.483 1.00 0.00 H new ATOM 211 N ALA A 15 -3.159 -7.737 8.662 1.00 0.00 N ATOM 212 CA ALA A 15 -3.936 -7.728 9.881 1.00 0.00 C ATOM 213 C ALA A 15 -3.076 -8.135 11.072 1.00 0.00 C ATOM 214 O ALA A 15 -3.404 -7.787 12.210 1.00 0.00 O ATOM 215 CB ALA A 15 -5.107 -8.693 9.708 1.00 0.00 C ATOM 0 H ALA A 15 -3.444 -8.452 7.992 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.308 -6.722 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.708 -8.702 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.723 -8.370 8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.726 -9.696 9.514 1.00 0.00 H new ATOM 221 N ARG A 16 -1.982 -8.850 10.806 1.00 0.00 N ATOM 222 CA ARG A 16 -1.062 -9.345 11.821 1.00 0.00 C ATOM 223 C ARG A 16 -0.034 -8.301 12.227 1.00 0.00 C ATOM 224 O ARG A 16 0.189 -8.138 13.424 1.00 0.00 O ATOM 225 CB ARG A 16 -0.342 -10.589 11.306 1.00 0.00 C ATOM 226 CG ARG A 16 -1.309 -11.708 10.893 1.00 0.00 C ATOM 227 CD ARG A 16 -1.336 -12.834 11.931 1.00 0.00 C ATOM 228 NE ARG A 16 -1.845 -14.089 11.365 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.997 -15.229 12.048 1.00 0.00 C ATOM 230 NH1 ARG A 16 -1.688 -15.289 13.335 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.444 -16.315 11.441 1.00 0.00 N ATOM 0 H ARG A 16 -1.708 -9.105 9.857 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.655 -9.588 12.703 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.278 -10.317 10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.328 -10.962 12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.312 -11.298 10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.010 -12.110 9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.330 -12.993 12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.960 -12.536 12.773 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.102 -14.092 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.331 -14.462 13.813 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.807 -16.163 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.675 -16.286 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.558 -17.182 11.966 1.00 0.00 H new ATOM 245 N GLY A 17 0.582 -7.610 11.265 1.00 0.00 N ATOM 246 CA GLY A 17 1.591 -6.602 11.571 1.00 0.00 C ATOM 247 C GLY A 17 2.354 -6.040 10.372 1.00 0.00 C ATOM 248 O GLY A 17 3.081 -5.061 10.559 1.00 0.00 O ATOM 0 H GLY A 17 0.398 -7.732 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.106 -5.775 12.089 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.311 -7.035 12.266 1.00 0.00 H new ATOM 252 N ALA A 18 2.248 -6.635 9.174 1.00 0.00 N ATOM 253 CA ALA A 18 2.928 -6.130 7.979 1.00 0.00 C ATOM 254 C ALA A 18 2.330 -4.755 7.662 1.00 0.00 C ATOM 255 O ALA A 18 1.113 -4.590 7.764 1.00 0.00 O ATOM 256 CB ALA A 18 2.710 -7.091 6.815 1.00 0.00 C ATOM 0 H ALA A 18 1.692 -7.474 9.010 1.00 0.00 H new ATOM 0 HA ALA A 18 4.002 -6.046 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.218 -6.710 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.113 -8.071 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.643 -7.180 6.611 1.00 0.00 H new ATOM 262 N LYS A 19 3.146 -3.770 7.262 1.00 0.00 N ATOM 263 CA LYS A 19 2.640 -2.418 6.979 1.00 0.00 C ATOM 264 C LYS A 19 2.540 -2.130 5.502 1.00 0.00 C ATOM 265 O LYS A 19 3.451 -2.478 4.767 1.00 0.00 O ATOM 266 CB LYS A 19 3.513 -1.360 7.691 1.00 0.00 C ATOM 267 CG LYS A 19 2.833 -0.839 8.966 1.00 0.00 C ATOM 268 CD LYS A 19 2.585 -1.947 9.996 1.00 0.00 C ATOM 269 CE LYS A 19 1.346 -1.764 10.863 1.00 0.00 C ATOM 270 NZ LYS A 19 1.263 -0.450 11.516 1.00 0.00 N ATOM 0 H LYS A 19 4.151 -3.881 7.128 1.00 0.00 H new ATOM 0 HA LYS A 19 1.625 -2.366 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.480 -1.794 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.705 -0.528 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.455 -0.064 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.883 -0.373 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.503 -2.898 9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.457 -2.017 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.459 -1.909 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.332 -2.540 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.413 -0.413 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.107 -0.301 12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.210 0.295 10.792 1.00 0.00 H new ATOM 284 N LEU A 20 1.465 -1.497 5.049 1.00 0.00 N ATOM 285 CA LEU A 20 1.311 -1.148 3.642 1.00 0.00 C ATOM 286 C LEU A 20 1.403 0.378 3.561 1.00 0.00 C ATOM 287 O LEU A 20 0.997 1.087 4.482 1.00 0.00 O ATOM 288 CB LEU A 20 0.079 -1.846 3.047 1.00 0.00 C ATOM 289 CG LEU A 20 -0.584 -1.099 1.890 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.230 -1.174 0.609 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.983 -1.644 1.629 1.00 0.00 C ATOM 0 H LEU A 20 0.683 -1.213 5.639 1.00 0.00 H new ATOM 0 HA LEU A 20 2.100 -1.524 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.372 -2.837 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.657 -1.990 3.838 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.644 -0.053 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.285 -0.628 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.212 -0.732 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.347 -2.216 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.437 -1.099 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.920 -2.702 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.594 -1.522 2.523 1.00 0.00 H new ATOM 303 N ILE A 21 1.956 0.906 2.469 1.00 0.00 N ATOM 304 CA ILE A 21 2.117 2.338 2.265 1.00 0.00 C ATOM 305 C ILE A 21 1.136 2.811 1.193 1.00 0.00 C ATOM 306 O ILE A 21 0.813 2.105 0.230 1.00 0.00 O ATOM 307 CB ILE A 21 3.591 2.673 1.941 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.604 1.989 2.886 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.829 4.194 1.975 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.441 2.338 4.368 1.00 0.00 C ATOM 0 H ILE A 21 2.307 0.342 1.695 1.00 0.00 H new ATOM 0 HA ILE A 21 1.879 2.881 3.180 1.00 0.00 H new ATOM 0 HB ILE A 21 3.761 2.282 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.515 0.909 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.612 2.261 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.873 4.404 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.189 4.679 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.593 4.577 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.196 1.811 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.563 3.413 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.448 2.040 4.705 1.00 0.00 H new ATOM 322 N ASP A 22 0.665 4.041 1.371 1.00 0.00 N ATOM 323 CA ASP A 22 -0.274 4.731 0.508 1.00 0.00 C ATOM 324 C ASP A 22 0.530 5.782 -0.259 1.00 0.00 C ATOM 325 O ASP A 22 0.607 6.935 0.180 1.00 0.00 O ATOM 326 CB ASP A 22 -1.382 5.309 1.403 1.00 0.00 C ATOM 327 CG ASP A 22 -2.654 5.676 0.657 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.741 5.296 1.137 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.582 6.289 -0.427 1.00 0.00 O ATOM 0 H ASP A 22 0.947 4.611 2.168 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.766 4.093 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.625 4.582 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.001 6.197 1.908 1.00 0.00 H new ATOM 334 N ILE A 23 1.156 5.389 -1.376 1.00 0.00 N ATOM 335 CA ILE A 23 1.994 6.258 -2.218 1.00 0.00 C ATOM 336 C ILE A 23 1.278 6.726 -3.507 1.00 0.00 C ATOM 337 O ILE A 23 1.901 6.801 -4.574 1.00 0.00 O ATOM 338 CB ILE A 23 3.298 5.504 -2.585 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.995 4.234 -3.409 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.186 5.071 -1.410 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.035 3.985 -4.483 1.00 0.00 C ATOM 0 H ILE A 23 1.093 4.434 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 23 2.216 7.156 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 23 3.853 6.252 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.951 3.373 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.013 4.329 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.067 4.554 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.497 5.950 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.626 4.401 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.778 3.081 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.062 4.833 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.014 3.861 -4.020 1.00 0.00 H new ATOM 353 N ARG A 24 -0.016 7.021 -3.458 1.00 0.00 N ATOM 354 CA ARG A 24 -0.798 7.471 -4.614 1.00 0.00 C ATOM 355 C ARG A 24 -0.994 8.967 -4.455 1.00 0.00 C ATOM 356 O ARG A 24 -0.163 9.720 -4.970 1.00 0.00 O ATOM 357 CB ARG A 24 -2.099 6.659 -4.870 1.00 0.00 C ATOM 358 CG ARG A 24 -2.593 5.837 -3.673 1.00 0.00 C ATOM 359 CD ARG A 24 -4.113 5.529 -3.668 1.00 0.00 C ATOM 360 NE ARG A 24 -4.662 5.655 -2.304 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.750 5.080 -1.756 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.720 4.481 -2.449 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.898 5.098 -0.444 1.00 0.00 N ATOM 0 H ARG A 24 -0.565 6.954 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.251 7.272 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.888 7.349 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.930 5.985 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.047 4.894 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.344 6.372 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.631 6.214 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.287 4.521 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.138 6.271 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.667 4.437 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.515 4.067 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.193 5.544 0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.718 4.666 -0.017 1.00 0.00 H new ATOM 377 N ASP A 25 -2.064 9.405 -3.796 1.00 0.00 N ATOM 378 CA ASP A 25 -2.349 10.812 -3.596 1.00 0.00 C ATOM 379 C ASP A 25 -3.347 10.977 -2.455 1.00 0.00 C ATOM 380 O ASP A 25 -4.176 10.095 -2.216 1.00 0.00 O ATOM 381 CB ASP A 25 -2.968 11.362 -4.878 1.00 0.00 C ATOM 382 CG ASP A 25 -2.967 12.883 -4.890 1.00 0.00 C ATOM 383 OD1 ASP A 25 -1.932 13.499 -5.252 1.00 0.00 O ATOM 384 OD2 ASP A 25 -3.950 13.499 -4.434 1.00 0.00 O ATOM 0 H ASP A 25 -2.760 8.783 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.431 11.346 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.414 10.990 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.990 10.997 -4.975 1.00 0.00 H new ATOM 389 N ALA A 26 -3.287 12.125 -1.785 1.00 0.00 N ATOM 390 CA ALA A 26 -4.160 12.472 -0.665 1.00 0.00 C ATOM 391 C ALA A 26 -5.624 12.619 -1.093 1.00 0.00 C ATOM 392 O ALA A 26 -6.520 12.572 -0.246 1.00 0.00 O ATOM 393 CB ALA A 26 -3.683 13.780 -0.025 1.00 0.00 C ATOM 0 H ALA A 26 -2.614 12.858 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.106 11.655 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.336 14.036 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.662 13.657 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.711 14.579 -0.766 1.00 0.00 H new ATOM 399 N ASP A 27 -5.876 12.836 -2.384 1.00 0.00 N ATOM 400 CA ASP A 27 -7.204 12.994 -2.961 1.00 0.00 C ATOM 401 C ASP A 27 -7.885 11.643 -3.158 1.00 0.00 C ATOM 402 O ASP A 27 -9.105 11.551 -3.043 1.00 0.00 O ATOM 403 CB ASP A 27 -7.080 13.716 -4.303 1.00 0.00 C ATOM 404 CG ASP A 27 -8.395 14.349 -4.711 1.00 0.00 C ATOM 405 OD1 ASP A 27 -8.969 13.978 -5.763 1.00 0.00 O ATOM 406 OD2 ASP A 27 -8.817 15.280 -3.989 1.00 0.00 O ATOM 0 H ASP A 27 -5.132 12.909 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.817 13.579 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.310 14.484 -4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.760 13.010 -5.070 1.00 0.00 H new ATOM 411 N GLU A 28 -7.107 10.586 -3.422 1.00 0.00 N ATOM 412 CA GLU A 28 -7.641 9.238 -3.616 1.00 0.00 C ATOM 413 C GLU A 28 -8.264 8.786 -2.302 1.00 0.00 C ATOM 414 O GLU A 28 -9.364 8.233 -2.302 1.00 0.00 O ATOM 415 CB GLU A 28 -6.540 8.260 -4.044 1.00 0.00 C ATOM 416 CG GLU A 28 -5.992 8.598 -5.432 1.00 0.00 C ATOM 417 CD GLU A 28 -6.977 8.368 -6.586 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.659 8.819 -7.713 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.031 7.719 -6.410 1.00 0.00 O ATOM 0 H GLU A 28 -6.092 10.644 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.388 9.252 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.729 8.284 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.936 7.244 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.682 9.643 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.099 7.999 -5.610 1.00 0.00 H new ATOM 426 N TYR A 29 -7.560 9.068 -1.202 1.00 0.00 N ATOM 427 CA TYR A 29 -7.960 8.767 0.173 1.00 0.00 C ATOM 428 C TYR A 29 -9.292 9.470 0.502 1.00 0.00 C ATOM 429 O TYR A 29 -9.976 9.100 1.453 1.00 0.00 O ATOM 430 CB TYR A 29 -6.828 9.208 1.122 1.00 0.00 C ATOM 431 CG TYR A 29 -7.052 8.906 2.595 1.00 0.00 C ATOM 432 CD1 TYR A 29 -6.427 7.799 3.200 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.891 9.734 3.368 1.00 0.00 C ATOM 434 CE1 TYR A 29 -6.664 7.508 4.556 1.00 0.00 C ATOM 435 CE2 TYR A 29 -8.172 9.421 4.708 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.557 8.302 5.312 1.00 0.00 C ATOM 437 OH TYR A 29 -7.822 7.996 6.613 1.00 0.00 O ATOM 0 H TYR A 29 -6.654 9.534 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.122 7.696 0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.904 8.724 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.680 10.282 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.764 7.172 2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.323 10.619 2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.161 6.674 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.857 10.034 5.275 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.456 8.647 6.980 1.00 0.00 H new ATOM 447 N LEU A 30 -9.701 10.510 -0.232 1.00 0.00 N ATOM 448 CA LEU A 30 -10.960 11.172 0.034 1.00 0.00 C ATOM 449 C LEU A 30 -12.125 10.350 -0.517 1.00 0.00 C ATOM 450 O LEU A 30 -13.207 10.316 0.080 1.00 0.00 O ATOM 451 CB LEU A 30 -10.924 12.558 -0.619 1.00 0.00 C ATOM 452 CG LEU A 30 -11.363 13.672 0.325 1.00 0.00 C ATOM 453 CD1 LEU A 30 -12.810 13.510 0.803 1.00 0.00 C ATOM 454 CD2 LEU A 30 -10.420 13.791 1.525 1.00 0.00 C ATOM 0 H LEU A 30 -9.172 10.903 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.106 11.273 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.912 12.763 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.570 12.557 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.314 14.594 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.066 14.332 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.480 13.519 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.914 12.564 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.762 14.594 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.414 12.852 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.412 14.012 1.175 1.00 0.00 H new ATOM 466 N ARG A 31 -11.934 9.709 -1.672 1.00 0.00 N ATOM 467 CA ARG A 31 -12.958 8.898 -2.326 1.00 0.00 C ATOM 468 C ARG A 31 -12.961 7.455 -1.861 1.00 0.00 C ATOM 469 O ARG A 31 -14.020 6.839 -1.862 1.00 0.00 O ATOM 470 CB ARG A 31 -12.731 8.935 -3.850 1.00 0.00 C ATOM 471 CG ARG A 31 -13.249 10.229 -4.493 1.00 0.00 C ATOM 472 CD ARG A 31 -14.780 10.227 -4.649 1.00 0.00 C ATOM 473 NE ARG A 31 -15.254 9.344 -5.730 1.00 0.00 N ATOM 474 CZ ARG A 31 -15.235 9.609 -7.042 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.658 10.721 -7.500 1.00 0.00 N ATOM 476 NH2 ARG A 31 -15.809 8.766 -7.897 1.00 0.00 N ATOM 0 H ARG A 31 -11.052 9.740 -2.184 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.925 9.324 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.666 8.832 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.229 8.081 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.949 11.081 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.786 10.358 -5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.234 9.915 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.120 11.244 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.635 8.440 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.227 11.377 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.648 10.915 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.262 7.920 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.796 8.966 -8.897 1.00 0.00 H new ATOM 490 N GLU A 32 -11.814 6.911 -1.471 1.00 0.00 N ATOM 491 CA GLU A 32 -11.651 5.521 -1.038 1.00 0.00 C ATOM 492 C GLU A 32 -10.571 5.443 0.036 1.00 0.00 C ATOM 493 O GLU A 32 -10.237 6.451 0.650 1.00 0.00 O ATOM 494 CB GLU A 32 -11.254 4.665 -2.266 1.00 0.00 C ATOM 495 CG GLU A 32 -12.334 4.669 -3.365 1.00 0.00 C ATOM 496 CD GLU A 32 -12.230 3.526 -4.377 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.294 2.926 -4.664 1.00 0.00 O ATOM 498 OE2 GLU A 32 -11.134 3.246 -4.915 1.00 0.00 O ATOM 0 H GLU A 32 -10.942 7.439 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.584 5.144 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.319 5.042 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.071 3.639 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.314 4.626 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.281 5.616 -3.902 1.00 0.00 H new ATOM 505 N HIS A 33 -10.070 4.244 0.340 1.00 0.00 N ATOM 506 CA HIS A 33 -9.008 4.006 1.305 1.00 0.00 C ATOM 507 C HIS A 33 -8.296 2.744 0.808 1.00 0.00 C ATOM 508 O HIS A 33 -8.096 2.679 -0.404 1.00 0.00 O ATOM 509 CB HIS A 33 -9.616 3.923 2.684 1.00 0.00 C ATOM 510 CG HIS A 33 -8.703 4.123 3.869 1.00 0.00 C ATOM 511 ND1 HIS A 33 -9.111 4.702 5.049 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.375 3.806 4.004 1.00 0.00 C ATOM 513 CE1 HIS A 33 -8.062 4.724 5.882 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.991 4.169 5.294 1.00 0.00 N ATOM 0 H HIS A 33 -10.408 3.386 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.266 4.800 1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.411 4.666 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.086 2.945 2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.744 3.358 3.250 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.076 5.130 6.883 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.070 4.038 5.712 1.00 0.00 H new ATOM 522 N ILE A 34 -7.912 1.777 1.654 1.00 0.00 N ATOM 523 CA ILE A 34 -7.208 0.554 1.248 1.00 0.00 C ATOM 524 C ILE A 34 -6.980 -0.393 2.458 1.00 0.00 C ATOM 525 O ILE A 34 -7.001 0.103 3.590 1.00 0.00 O ATOM 526 CB ILE A 34 -5.817 1.003 0.676 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.516 0.513 -0.758 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.672 0.883 1.687 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.256 -0.325 -0.971 1.00 0.00 C ATOM 0 H ILE A 34 -8.086 1.825 2.658 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.799 0.011 0.511 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.905 2.079 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.370 -0.072 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.451 1.388 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.741 1.210 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.885 1.509 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.574 -0.155 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.174 -0.597 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.380 0.253 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.314 -1.230 -0.366 1.00 0.00 H new ATOM 541 N PRO A 35 -6.611 -1.677 2.230 1.00 0.00 N ATOM 542 CA PRO A 35 -6.294 -2.686 3.246 1.00 0.00 C ATOM 543 C PRO A 35 -5.049 -2.371 4.106 1.00 0.00 C ATOM 544 O PRO A 35 -4.009 -2.997 3.934 1.00 0.00 O ATOM 545 CB PRO A 35 -6.201 -4.026 2.497 1.00 0.00 C ATOM 546 CG PRO A 35 -6.012 -3.690 1.020 1.00 0.00 C ATOM 547 CD PRO A 35 -6.627 -2.303 0.913 1.00 0.00 C ATOM 0 HA PRO A 35 -7.080 -2.711 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.366 -4.620 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.105 -4.617 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.960 -3.690 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.516 -4.408 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.068 -1.697 0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.649 -2.371 0.540 1.00 0.00 H new ATOM 555 N GLU A 36 -5.213 -1.490 5.100 1.00 0.00 N ATOM 556 CA GLU A 36 -4.229 -1.028 6.089 1.00 0.00 C ATOM 557 C GLU A 36 -3.065 -0.233 5.499 1.00 0.00 C ATOM 558 O GLU A 36 -2.086 -0.800 5.038 1.00 0.00 O ATOM 559 CB GLU A 36 -3.736 -2.208 6.953 1.00 0.00 C ATOM 560 CG GLU A 36 -3.665 -1.958 8.470 1.00 0.00 C ATOM 561 CD GLU A 36 -2.599 -0.992 9.018 1.00 0.00 C ATOM 562 OE1 GLU A 36 -1.805 -0.377 8.279 1.00 0.00 O ATOM 563 OE2 GLU A 36 -2.561 -0.853 10.265 1.00 0.00 O ATOM 0 H GLU A 36 -6.118 -1.042 5.247 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.754 -0.316 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.393 -3.059 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.743 -2.495 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.639 -1.588 8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.516 -2.922 8.956 1.00 0.00 H new ATOM 570 N ALA A 37 -3.174 1.091 5.446 1.00 0.00 N ATOM 571 CA ALA A 37 -2.110 1.947 4.944 1.00 0.00 C ATOM 572 C ALA A 37 -2.121 3.286 5.686 1.00 0.00 C ATOM 573 O ALA A 37 -2.995 3.554 6.520 1.00 0.00 O ATOM 574 CB ALA A 37 -2.226 2.141 3.437 1.00 0.00 C ATOM 0 H ALA A 37 -4.004 1.599 5.751 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.153 1.461 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.418 2.785 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.158 1.174 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.185 2.604 3.202 1.00 0.00 H new ATOM 580 N ASP A 38 -1.161 4.154 5.379 1.00 0.00 N ATOM 581 CA ASP A 38 -1.035 5.478 5.977 1.00 0.00 C ATOM 582 C ASP A 38 -0.550 6.411 4.872 1.00 0.00 C ATOM 583 O ASP A 38 0.455 6.103 4.223 1.00 0.00 O ATOM 584 CB ASP A 38 -0.050 5.428 7.147 1.00 0.00 C ATOM 585 CG ASP A 38 -0.331 6.515 8.178 1.00 0.00 C ATOM 586 OD1 ASP A 38 -1.269 6.321 8.978 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.397 7.541 8.219 1.00 0.00 O ATOM 0 H ASP A 38 -0.434 3.951 4.693 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.984 5.835 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.106 4.451 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.967 5.540 6.770 1.00 0.00 H new ATOM 592 N LEU A 39 -1.259 7.521 4.656 1.00 0.00 N ATOM 593 CA LEU A 39 -0.977 8.530 3.637 1.00 0.00 C ATOM 594 C LEU A 39 0.479 8.996 3.645 1.00 0.00 C ATOM 595 O LEU A 39 0.891 9.762 4.524 1.00 0.00 O ATOM 596 CB LEU A 39 -1.954 9.706 3.782 1.00 0.00 C ATOM 597 CG LEU A 39 -1.707 10.847 2.776 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.874 10.389 1.326 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.684 11.981 3.061 1.00 0.00 C ATOM 0 H LEU A 39 -2.082 7.750 5.213 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.128 8.065 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.972 9.338 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.881 10.104 4.794 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.677 11.181 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.690 11.229 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.163 9.591 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.889 10.020 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.516 12.793 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.706 11.616 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.530 12.347 4.076 1.00 0.00 H new ATOM 611 N ALA A 40 1.251 8.538 2.663 1.00 0.00 N ATOM 612 CA ALA A 40 2.651 8.863 2.464 1.00 0.00 C ATOM 613 C ALA A 40 2.881 8.904 0.946 1.00 0.00 C ATOM 614 O ALA A 40 3.417 7.942 0.395 1.00 0.00 O ATOM 615 CB ALA A 40 3.537 7.840 3.191 1.00 0.00 C ATOM 0 H ALA A 40 0.895 7.899 1.952 1.00 0.00 H new ATOM 0 HA ALA A 40 2.918 9.831 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.586 8.092 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.313 7.858 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.341 6.843 2.796 1.00 0.00 H new ATOM 621 N PRO A 41 2.455 9.979 0.253 1.00 0.00 N ATOM 622 CA PRO A 41 2.606 10.104 -1.192 1.00 0.00 C ATOM 623 C PRO A 41 4.078 10.118 -1.615 1.00 0.00 C ATOM 624 O PRO A 41 4.986 10.258 -0.789 1.00 0.00 O ATOM 625 CB PRO A 41 1.868 11.394 -1.571 1.00 0.00 C ATOM 626 CG PRO A 41 1.910 12.230 -0.296 1.00 0.00 C ATOM 627 CD PRO A 41 1.820 11.172 0.800 1.00 0.00 C ATOM 0 HA PRO A 41 2.184 9.247 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.357 11.905 -2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.843 11.191 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.829 12.812 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.081 12.936 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.326 11.504 1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.782 10.974 1.069 1.00 0.00 H new ATOM 635 N LEU A 42 4.331 10.010 -2.925 1.00 0.00 N ATOM 636 CA LEU A 42 5.696 10.019 -3.454 1.00 0.00 C ATOM 637 C LEU A 42 6.430 11.301 -3.033 1.00 0.00 C ATOM 638 O LEU A 42 7.650 11.292 -2.893 1.00 0.00 O ATOM 639 CB LEU A 42 5.689 9.841 -4.982 1.00 0.00 C ATOM 640 CG LEU A 42 7.061 9.460 -5.577 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.472 8.031 -5.190 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.005 9.549 -7.107 1.00 0.00 C ATOM 0 H LEU A 42 3.606 9.915 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 42 6.240 9.175 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.964 9.070 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.349 10.768 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 42 7.796 10.158 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.443 7.800 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.535 7.952 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.729 7.325 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.976 9.279 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.246 8.864 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.754 10.567 -7.403 1.00 0.00 H new ATOM 654 N SER A 43 5.684 12.375 -2.765 1.00 0.00 N ATOM 655 CA SER A 43 6.170 13.673 -2.338 1.00 0.00 C ATOM 656 C SER A 43 6.977 13.540 -1.040 1.00 0.00 C ATOM 657 O SER A 43 8.171 13.846 -1.027 1.00 0.00 O ATOM 658 CB SER A 43 4.982 14.632 -2.183 1.00 0.00 C ATOM 659 OG SER A 43 4.066 14.462 -3.251 1.00 0.00 O ATOM 0 H SER A 43 4.668 12.352 -2.847 1.00 0.00 H new ATOM 0 HA SER A 43 6.843 14.084 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.480 14.449 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.338 15.662 -2.162 1.00 0.00 H new ATOM 0 HG SER A 43 3.313 15.079 -3.138 1.00 0.00 H new ATOM 665 N VAL A 44 6.356 13.063 0.046 1.00 0.00 N ATOM 666 CA VAL A 44 7.044 12.897 1.325 1.00 0.00 C ATOM 667 C VAL A 44 8.099 11.797 1.223 1.00 0.00 C ATOM 668 O VAL A 44 9.165 11.913 1.818 1.00 0.00 O ATOM 669 CB VAL A 44 6.035 12.695 2.468 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.261 11.375 2.444 1.00 0.00 C ATOM 671 CG2 VAL A 44 6.708 12.862 3.837 1.00 0.00 C ATOM 0 H VAL A 44 5.375 12.785 0.060 1.00 0.00 H new ATOM 0 HA VAL A 44 7.584 13.811 1.571 1.00 0.00 H new ATOM 0 HB VAL A 44 5.295 13.477 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.579 11.338 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.691 11.304 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.961 10.542 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.970 12.714 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.505 12.126 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.127 13.865 3.916 1.00 0.00 H new ATOM 681 N LEU A 45 7.840 10.756 0.430 1.00 0.00 N ATOM 682 CA LEU A 45 8.784 9.650 0.235 1.00 0.00 C ATOM 683 C LEU A 45 10.102 10.188 -0.316 1.00 0.00 C ATOM 684 O LEU A 45 11.170 9.729 0.070 1.00 0.00 O ATOM 685 CB LEU A 45 8.207 8.625 -0.752 1.00 0.00 C ATOM 686 CG LEU A 45 7.194 7.600 -0.209 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.851 6.231 -0.039 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.572 7.918 1.156 1.00 0.00 C ATOM 0 H LEU A 45 6.972 10.654 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 45 8.956 9.166 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.727 9.173 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.040 8.074 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 45 6.404 7.627 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.119 5.521 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.222 5.883 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.682 6.311 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.876 7.126 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.359 7.988 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.038 8.867 1.100 1.00 0.00 H new ATOM 700 N GLU A 46 10.038 11.161 -1.215 1.00 0.00 N ATOM 701 CA GLU A 46 11.187 11.791 -1.826 1.00 0.00 C ATOM 702 C GLU A 46 11.857 12.771 -0.869 1.00 0.00 C ATOM 703 O GLU A 46 13.086 12.853 -0.820 1.00 0.00 O ATOM 704 CB GLU A 46 10.686 12.582 -3.044 1.00 0.00 C ATOM 705 CG GLU A 46 10.649 11.749 -4.320 1.00 0.00 C ATOM 706 CD GLU A 46 12.028 11.633 -4.978 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.077 11.571 -6.225 1.00 0.00 O ATOM 708 OE2 GLU A 46 13.057 11.564 -4.264 1.00 0.00 O ATOM 0 H GLU A 46 9.152 11.542 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 46 11.911 11.024 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.686 12.964 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.331 13.447 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.274 10.752 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.949 12.198 -5.025 1.00 0.00 H new ATOM 715 N GLN A 47 11.065 13.556 -0.140 1.00 0.00 N ATOM 716 CA GLN A 47 11.551 14.571 0.782 1.00 0.00 C ATOM 717 C GLN A 47 12.016 14.055 2.139 1.00 0.00 C ATOM 718 O GLN A 47 12.777 14.765 2.803 1.00 0.00 O ATOM 719 CB GLN A 47 10.421 15.579 1.007 1.00 0.00 C ATOM 720 CG GLN A 47 10.175 16.454 -0.229 1.00 0.00 C ATOM 721 CD GLN A 47 8.931 17.310 -0.040 1.00 0.00 C ATOM 722 OE1 GLN A 47 8.864 18.120 0.881 1.00 0.00 O ATOM 723 NE2 GLN A 47 7.926 17.164 -0.888 1.00 0.00 N ATOM 0 H GLN A 47 10.047 13.500 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 47 12.435 15.006 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.505 15.046 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.667 16.215 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.040 17.094 -0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.059 15.823 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.995 16.488 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.083 17.728 -0.781 1.00 0.00 H new ATOM 732 N SER A 48 11.610 12.862 2.564 1.00 0.00 N ATOM 733 CA SER A 48 11.976 12.307 3.862 1.00 0.00 C ATOM 734 C SER A 48 12.039 10.777 3.937 1.00 0.00 C ATOM 735 O SER A 48 12.337 10.244 5.009 1.00 0.00 O ATOM 736 CB SER A 48 10.949 12.828 4.870 1.00 0.00 C ATOM 737 OG SER A 48 11.066 14.234 5.016 1.00 0.00 O ATOM 0 H SER A 48 11.012 12.248 2.011 1.00 0.00 H new ATOM 0 HA SER A 48 12.996 12.628 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.943 12.573 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.098 12.343 5.834 1.00 0.00 H new ATOM 0 HG SER A 48 10.402 14.552 5.662 1.00 0.00 H new ATOM 743 N GLY A 49 11.807 10.041 2.850 1.00 0.00 N ATOM 744 CA GLY A 49 11.858 8.587 2.902 1.00 0.00 C ATOM 745 C GLY A 49 10.688 8.014 3.700 1.00 0.00 C ATOM 746 O GLY A 49 9.696 8.700 3.961 1.00 0.00 O ATOM 0 H GLY A 49 11.584 10.427 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.841 8.185 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.798 8.271 3.354 1.00 0.00 H new ATOM 750 N LEU A 50 10.769 6.728 4.046 1.00 0.00 N ATOM 751 CA LEU A 50 9.739 6.037 4.810 1.00 0.00 C ATOM 752 C LEU A 50 9.669 6.542 6.270 1.00 0.00 C ATOM 753 O LEU A 50 10.717 6.832 6.858 1.00 0.00 O ATOM 754 CB LEU A 50 9.969 4.525 4.635 1.00 0.00 C ATOM 755 CG LEU A 50 9.750 3.616 5.857 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.292 2.261 5.332 1.00 0.00 C ATOM 757 CD2 LEU A 50 11.051 3.461 6.654 1.00 0.00 C ATOM 0 H LEU A 50 11.561 6.135 3.799 1.00 0.00 H new ATOM 0 HA LEU A 50 8.741 6.260 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.312 4.177 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.993 4.380 4.290 1.00 0.00 H new ATOM 0 HG LEU A 50 9.005 4.047 6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.125 1.584 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.364 2.382 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.059 1.846 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.876 2.815 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.817 3.018 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.386 4.440 6.998 1.00 0.00 H new ATOM 769 N PRO A 51 8.462 6.644 6.867 1.00 0.00 N ATOM 770 CA PRO A 51 8.266 7.096 8.240 1.00 0.00 C ATOM 771 C PRO A 51 8.533 5.988 9.265 1.00 0.00 C ATOM 772 O PRO A 51 8.302 4.807 8.999 1.00 0.00 O ATOM 773 CB PRO A 51 6.790 7.467 8.339 1.00 0.00 C ATOM 774 CG PRO A 51 6.120 6.530 7.341 1.00 0.00 C ATOM 775 CD PRO A 51 7.174 6.346 6.253 1.00 0.00 C ATOM 0 HA PRO A 51 8.951 7.916 8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.406 7.319 9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.621 8.513 8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.851 5.580 7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.202 6.961 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.156 5.328 5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.983 7.012 5.411 1.00 0.00 H new ATOM 783 N ALA A 52 8.892 6.377 10.493 1.00 0.00 N ATOM 784 CA ALA A 52 9.157 5.440 11.580 1.00 0.00 C ATOM 785 C ALA A 52 7.892 4.633 11.889 1.00 0.00 C ATOM 786 O ALA A 52 7.956 3.427 12.121 1.00 0.00 O ATOM 787 CB ALA A 52 9.649 6.188 12.824 1.00 0.00 C ATOM 0 H ALA A 52 9.006 7.355 10.758 1.00 0.00 H new ATOM 0 HA ALA A 52 9.942 4.750 11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.842 5.474 13.625 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.568 6.724 12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.888 6.898 13.146 1.00 0.00 H new ATOM 793 N LYS A 53 6.718 5.269 11.815 1.00 0.00 N ATOM 794 CA LYS A 53 5.440 4.612 12.076 1.00 0.00 C ATOM 795 C LYS A 53 5.166 3.406 11.160 1.00 0.00 C ATOM 796 O LYS A 53 4.281 2.618 11.499 1.00 0.00 O ATOM 797 CB LYS A 53 4.303 5.648 12.054 1.00 0.00 C ATOM 798 CG LYS A 53 3.948 6.138 10.643 1.00 0.00 C ATOM 799 CD LYS A 53 3.637 7.631 10.570 1.00 0.00 C ATOM 800 CE LYS A 53 2.322 7.934 11.290 1.00 0.00 C ATOM 801 NZ LYS A 53 1.677 9.154 10.774 1.00 0.00 N ATOM 0 H LYS A 53 6.631 6.256 11.572 1.00 0.00 H new ATOM 0 HA LYS A 53 5.493 4.181 13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.416 5.212 12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.590 6.503 12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.778 5.916 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.086 5.578 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.448 8.201 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.570 7.945 9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.643 7.089 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.511 8.048 12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.012 9.522 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.402 9.872 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.160 8.930 9.900 1.00 0.00 H new ATOM 815 N LEU A 54 5.866 3.243 10.024 1.00 0.00 N ATOM 816 CA LEU A 54 5.673 2.123 9.095 1.00 0.00 C ATOM 817 C LEU A 54 7.034 1.559 8.661 1.00 0.00 C ATOM 818 O LEU A 54 7.168 1.057 7.549 1.00 0.00 O ATOM 819 CB LEU A 54 4.919 2.609 7.833 1.00 0.00 C ATOM 820 CG LEU A 54 3.663 3.466 8.057 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.352 4.356 6.852 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.441 2.646 8.469 1.00 0.00 C ATOM 0 H LEU A 54 6.590 3.895 9.724 1.00 0.00 H new ATOM 0 HA LEU A 54 5.095 1.350 9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.616 3.183 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.632 1.733 7.252 1.00 0.00 H new ATOM 0 HG LEU A 54 3.899 4.116 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.457 4.944 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.192 5.026 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.186 3.733 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.588 3.310 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.210 1.921 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.652 2.122 9.401 1.00 0.00 H new ATOM 834 N ARG A 55 8.010 1.520 9.570 1.00 0.00 N ATOM 835 CA ARG A 55 9.368 1.025 9.310 1.00 0.00 C ATOM 836 C ARG A 55 9.583 -0.482 9.535 1.00 0.00 C ATOM 837 O ARG A 55 10.735 -0.922 9.489 1.00 0.00 O ATOM 838 CB ARG A 55 10.344 1.886 10.127 1.00 0.00 C ATOM 839 CG ARG A 55 10.317 1.546 11.629 1.00 0.00 C ATOM 840 CD ARG A 55 11.624 0.869 12.023 1.00 0.00 C ATOM 841 NE ARG A 55 11.527 0.122 13.279 1.00 0.00 N ATOM 842 CZ ARG A 55 12.388 -0.844 13.601 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.412 -1.139 12.803 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.262 -1.502 14.743 1.00 0.00 N ATOM 0 H ARG A 55 7.878 1.838 10.530 1.00 0.00 H new ATOM 0 HA ARG A 55 9.555 1.127 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.355 1.746 9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.095 2.939 9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.175 2.454 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.475 0.890 11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.930 0.191 11.226 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.404 1.624 12.116 1.00 0.00 H new ATOM 0 HE ARG A 55 10.775 0.348 13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.546 -0.624 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.063 -1.880 13.062 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.502 -1.271 15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.925 -2.240 14.982 1.00 0.00 H new ATOM 858 N HIS A 56 8.520 -1.251 9.786 1.00 0.00 N ATOM 859 CA HIS A 56 8.516 -2.694 10.049 1.00 0.00 C ATOM 860 C HIS A 56 9.488 -3.474 9.152 1.00 0.00 C ATOM 861 O HIS A 56 9.744 -3.093 8.014 1.00 0.00 O ATOM 862 CB HIS A 56 7.089 -3.270 9.902 1.00 0.00 C ATOM 863 CG HIS A 56 6.834 -4.498 10.745 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.852 -4.542 12.121 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.461 -5.743 10.303 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.515 -5.785 12.492 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.275 -6.567 11.423 1.00 0.00 N ATOM 0 H HIS A 56 7.579 -0.858 9.813 1.00 0.00 H new ATOM 0 HA HIS A 56 8.860 -2.817 11.076 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.367 -2.499 10.173 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.914 -3.517 8.855 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.333 -6.037 9.272 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.445 -6.117 13.517 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.013 -7.553 11.427 1.00 0.00 H new ATOM 875 N GLU A 57 9.979 -4.628 9.616 1.00 0.00 N ATOM 876 CA GLU A 57 10.902 -5.463 8.832 1.00 0.00 C ATOM 877 C GLU A 57 10.208 -6.078 7.601 1.00 0.00 C ATOM 878 O GLU A 57 10.880 -6.631 6.728 1.00 0.00 O ATOM 879 CB GLU A 57 11.523 -6.574 9.707 1.00 0.00 C ATOM 880 CG GLU A 57 12.927 -6.221 10.222 1.00 0.00 C ATOM 881 CD GLU A 57 12.899 -5.153 11.311 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.736 -5.492 12.504 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.997 -3.939 11.006 1.00 0.00 O ATOM 0 H GLU A 57 9.753 -5.008 10.535 1.00 0.00 H new ATOM 0 HA GLU A 57 11.701 -4.812 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.869 -6.767 10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.576 -7.497 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.404 -7.120 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.538 -5.871 9.390 1.00 0.00 H new ATOM 890 N GLN A 58 8.876 -5.986 7.526 1.00 0.00 N ATOM 891 CA GLN A 58 8.046 -6.496 6.451 1.00 0.00 C ATOM 892 C GLN A 58 6.986 -5.453 6.105 1.00 0.00 C ATOM 893 O GLN A 58 6.069 -5.220 6.899 1.00 0.00 O ATOM 894 CB GLN A 58 7.405 -7.831 6.867 1.00 0.00 C ATOM 895 CG GLN A 58 8.452 -8.957 6.935 1.00 0.00 C ATOM 896 CD GLN A 58 7.862 -10.337 6.661 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.942 -11.243 7.484 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.318 -10.546 5.478 1.00 0.00 N ATOM 0 H GLN A 58 8.328 -5.529 8.255 1.00 0.00 H new ATOM 0 HA GLN A 58 8.654 -6.684 5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.925 -7.719 7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.625 -8.100 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.242 -8.755 6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.916 -8.955 7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.258 -9.784 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.958 -11.470 5.238 1.00 0.00 H new ATOM 907 N ILE A 59 7.094 -4.809 4.940 1.00 0.00 N ATOM 908 CA ILE A 59 6.139 -3.792 4.487 1.00 0.00 C ATOM 909 C ILE A 59 5.646 -4.124 3.060 1.00 0.00 C ATOM 910 O ILE A 59 6.116 -5.089 2.461 1.00 0.00 O ATOM 911 CB ILE A 59 6.611 -2.341 4.796 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.705 -1.412 3.576 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.805 -2.247 5.766 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.297 -0.051 3.885 1.00 0.00 C ATOM 0 H ILE A 59 7.852 -4.979 4.279 1.00 0.00 H new ATOM 0 HA ILE A 59 5.227 -3.826 5.084 1.00 0.00 H new ATOM 0 HB ILE A 59 5.779 -1.925 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.311 -1.895 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.708 -1.277 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.065 -1.200 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.536 -2.701 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.660 -2.773 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.330 0.547 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.680 0.454 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.307 -0.174 4.275 1.00 0.00 H new ATOM 926 N ILE A 60 4.664 -3.404 2.519 1.00 0.00 N ATOM 927 CA ILE A 60 4.061 -3.557 1.200 1.00 0.00 C ATOM 928 C ILE A 60 3.847 -2.146 0.637 1.00 0.00 C ATOM 929 O ILE A 60 3.760 -1.167 1.382 1.00 0.00 O ATOM 930 CB ILE A 60 2.727 -4.349 1.318 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.959 -5.712 2.016 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.986 -4.505 -0.028 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.952 -6.832 1.743 1.00 0.00 C ATOM 0 H ILE A 60 4.236 -2.636 3.036 1.00 0.00 H new ATOM 0 HA ILE A 60 4.703 -4.124 0.526 1.00 0.00 H new ATOM 0 HB ILE A 60 2.062 -3.754 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.947 -6.072 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.984 -5.538 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.065 -5.067 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.747 -3.520 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.622 -5.039 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.242 -7.725 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.959 -6.514 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.937 -7.056 0.676 1.00 0.00 H new ATOM 945 N PHE A 61 3.707 -2.035 -0.677 1.00 0.00 N ATOM 946 CA PHE A 61 3.482 -0.807 -1.410 1.00 0.00 C ATOM 947 C PHE A 61 2.351 -1.038 -2.417 1.00 0.00 C ATOM 948 O PHE A 61 2.211 -2.135 -2.967 1.00 0.00 O ATOM 949 CB PHE A 61 4.802 -0.427 -2.093 1.00 0.00 C ATOM 950 CG PHE A 61 5.719 0.402 -1.212 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.565 1.796 -1.138 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.725 -0.216 -0.452 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.419 2.555 -0.319 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.604 0.546 0.334 1.00 0.00 C ATOM 955 CZ PHE A 61 7.450 1.937 0.405 1.00 0.00 C ATOM 0 H PHE A 61 3.751 -2.849 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 61 3.179 0.013 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.323 -1.337 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.584 0.130 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.790 2.285 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.824 -1.291 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.280 3.624 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.398 0.061 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.119 2.529 1.012 1.00 0.00 H new ATOM 965 N HIS A 62 1.536 -0.008 -2.662 1.00 0.00 N ATOM 966 CA HIS A 62 0.416 -0.028 -3.600 1.00 0.00 C ATOM 967 C HIS A 62 0.280 1.368 -4.211 1.00 0.00 C ATOM 968 O HIS A 62 0.742 2.330 -3.601 1.00 0.00 O ATOM 969 CB HIS A 62 -0.901 -0.383 -2.879 1.00 0.00 C ATOM 970 CG HIS A 62 -1.774 0.823 -2.593 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.589 1.762 -1.595 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.791 1.266 -3.400 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.518 2.720 -1.778 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.248 2.471 -2.879 1.00 0.00 N ATOM 0 H HIS A 62 1.644 0.893 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 62 0.606 -0.779 -4.366 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.461 -1.091 -3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.669 -0.885 -1.940 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.883 1.734 -0.860 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.168 0.768 -4.281 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.657 3.572 -1.129 1.00 0.00 H new ATOM 982 N CYS A 63 -0.377 1.505 -5.367 1.00 0.00 N ATOM 983 CA CYS A 63 -0.600 2.801 -5.988 1.00 0.00 C ATOM 984 C CYS A 63 -1.824 2.682 -6.899 1.00 0.00 C ATOM 985 O CYS A 63 -1.751 2.073 -7.969 1.00 0.00 O ATOM 986 CB CYS A 63 0.658 3.308 -6.693 1.00 0.00 C ATOM 987 SG CYS A 63 0.483 5.070 -7.057 1.00 0.00 S ATOM 0 H CYS A 63 -0.765 0.721 -5.891 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.811 3.562 -5.236 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.532 3.142 -6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.820 2.750 -7.616 1.00 0.00 H new ATOM 0 HG CYS A 63 1.063 5.765 -6.124 1.00 0.00 H new ATOM 993 N GLN A 64 -2.926 3.286 -6.450 1.00 0.00 N ATOM 994 CA GLN A 64 -4.237 3.334 -7.086 1.00 0.00 C ATOM 995 C GLN A 64 -4.670 1.943 -7.575 1.00 0.00 C ATOM 996 O GLN A 64 -4.573 0.996 -6.794 1.00 0.00 O ATOM 997 CB GLN A 64 -4.344 4.507 -8.087 1.00 0.00 C ATOM 998 CG GLN A 64 -5.797 5.015 -8.273 1.00 0.00 C ATOM 999 CD GLN A 64 -6.382 4.773 -9.668 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -5.715 4.953 -10.686 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -7.608 4.291 -9.755 1.00 0.00 N ATOM 0 H GLN A 64 -2.921 3.792 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.000 3.584 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.719 5.330 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.949 4.190 -9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.436 4.528 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.824 6.084 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.159 4.143 -8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.004 4.067 -10.668 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.198 1.817 -8.797 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.695 0.599 -9.402 1.00 0.00 C ATOM 1012 C ALA A 65 -5.011 0.389 -10.749 1.00 0.00 C ATOM 1013 O ALA A 65 -5.501 0.839 -11.790 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.223 0.672 -9.543 1.00 0.00 C ATOM 0 H ALA A 65 -5.291 2.619 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.464 -0.257 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.591 -0.247 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.674 0.794 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.490 1.521 -10.172 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.838 -0.231 -10.717 1.00 0.00 N ATOM 1021 CA GLY A 66 -3.058 -0.543 -11.905 1.00 0.00 C ATOM 1022 C GLY A 66 -2.061 0.540 -12.294 1.00 0.00 C ATOM 1023 O GLY A 66 -1.584 0.505 -13.426 1.00 0.00 O ATOM 0 H GLY A 66 -3.396 -0.536 -9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.519 -1.476 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.738 -0.713 -12.740 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.707 1.475 -11.397 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.746 2.543 -11.710 1.00 0.00 C ATOM 1029 C LYS A 67 0.646 1.989 -12.037 1.00 0.00 C ATOM 1030 O LYS A 67 1.463 2.696 -12.619 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.728 3.593 -10.583 1.00 0.00 C ATOM 1032 CG LYS A 67 -0.157 4.961 -11.007 1.00 0.00 C ATOM 1033 CD LYS A 67 1.319 5.170 -10.628 1.00 0.00 C ATOM 1034 CE LYS A 67 1.820 6.561 -11.013 1.00 0.00 C ATOM 1035 NZ LYS A 67 1.980 6.718 -12.470 1.00 0.00 N ATOM 0 H LYS A 67 -2.074 1.512 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.076 3.047 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.745 3.734 -10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.139 3.207 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.262 5.068 -12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.754 5.750 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.441 5.025 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.930 4.415 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.120 7.311 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.776 6.748 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.322 7.678 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.668 6.021 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.064 6.566 -12.938 1.00 0.00 H new ATOM 1049 N ARG A 68 0.912 0.722 -11.692 1.00 0.00 N ATOM 1050 CA ARG A 68 2.152 -0.011 -11.926 1.00 0.00 C ATOM 1051 C ARG A 68 3.254 0.366 -10.945 1.00 0.00 C ATOM 1052 O ARG A 68 4.239 1.014 -11.287 1.00 0.00 O ATOM 1053 CB ARG A 68 2.570 0.049 -13.420 1.00 0.00 C ATOM 1054 CG ARG A 68 2.634 -1.330 -14.066 1.00 0.00 C ATOM 1055 CD ARG A 68 1.234 -1.931 -14.228 1.00 0.00 C ATOM 1056 NE ARG A 68 0.513 -1.378 -15.380 1.00 0.00 N ATOM 1057 CZ ARG A 68 -0.717 -1.759 -15.733 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -1.409 -2.603 -14.974 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -1.246 -1.309 -16.856 1.00 0.00 N ATOM 0 H ARG A 68 0.218 0.149 -11.211 1.00 0.00 H new ATOM 0 HA ARG A 68 1.961 -1.063 -11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.861 0.670 -13.967 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.545 0.530 -13.502 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.116 -1.256 -15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.249 -1.992 -13.456 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.317 -3.012 -14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.657 -1.749 -13.321 1.00 0.00 H new ATOM 0 HE ARG A 68 0.977 -0.664 -15.942 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.001 -2.966 -14.113 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.348 -2.887 -15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.715 -0.673 -17.451 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.185 -1.598 -17.129 1.00 0.00 H new ATOM 1073 N THR A 69 3.118 -0.097 -9.703 1.00 0.00 N ATOM 1074 CA THR A 69 4.117 0.155 -8.663 1.00 0.00 C ATOM 1075 C THR A 69 5.472 -0.423 -9.098 1.00 0.00 C ATOM 1076 O THR A 69 6.525 0.149 -8.824 1.00 0.00 O ATOM 1077 CB THR A 69 3.669 -0.433 -7.322 1.00 0.00 C ATOM 1078 OG1 THR A 69 3.229 -1.771 -7.470 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.550 0.363 -6.664 1.00 0.00 C ATOM 0 H THR A 69 2.321 -0.652 -9.391 1.00 0.00 H new ATOM 0 HA THR A 69 4.224 1.231 -8.527 1.00 0.00 H new ATOM 0 HB THR A 69 4.549 -0.389 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.951 -2.122 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.278 -0.105 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.888 1.383 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.681 0.382 -7.322 1.00 0.00 H new ATOM 1087 N SER A 70 5.438 -1.526 -9.853 1.00 0.00 N ATOM 1088 CA SER A 70 6.575 -2.243 -10.411 1.00 0.00 C ATOM 1089 C SER A 70 7.446 -1.319 -11.286 1.00 0.00 C ATOM 1090 O SER A 70 8.615 -1.616 -11.526 1.00 0.00 O ATOM 1091 CB SER A 70 5.964 -3.398 -11.220 1.00 0.00 C ATOM 1092 OG SER A 70 6.904 -4.265 -11.816 1.00 0.00 O ATOM 0 H SER A 70 4.553 -1.966 -10.104 1.00 0.00 H new ATOM 0 HA SER A 70 7.245 -2.614 -9.636 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.318 -3.981 -10.563 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.330 -2.980 -12.002 1.00 0.00 H new ATOM 0 HG SER A 70 6.433 -4.969 -12.308 1.00 0.00 H new ATOM 1098 N ASN A 71 6.898 -0.198 -11.767 1.00 0.00 N ATOM 1099 CA ASN A 71 7.591 0.770 -12.610 1.00 0.00 C ATOM 1100 C ASN A 71 8.448 1.756 -11.832 1.00 0.00 C ATOM 1101 O ASN A 71 9.256 2.452 -12.445 1.00 0.00 O ATOM 1102 CB ASN A 71 6.558 1.520 -13.445 1.00 0.00 C ATOM 1103 CG ASN A 71 7.214 2.165 -14.655 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.868 1.491 -15.443 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.088 3.468 -14.826 1.00 0.00 N ATOM 0 H ASN A 71 5.932 0.064 -11.572 1.00 0.00 H new ATOM 0 HA ASN A 71 8.280 0.212 -13.244 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.778 0.832 -13.771 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.075 2.284 -12.836 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.537 3.924 -15.620 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.541 4.019 -14.164 1.00 0.00 H new ATOM 1112 N ASN A 72 8.267 1.839 -10.511 1.00 0.00 N ATOM 1113 CA ASN A 72 9.016 2.723 -9.616 1.00 0.00 C ATOM 1114 C ASN A 72 9.509 1.958 -8.393 1.00 0.00 C ATOM 1115 O ASN A 72 9.969 2.574 -7.429 1.00 0.00 O ATOM 1116 CB ASN A 72 8.171 3.926 -9.166 1.00 0.00 C ATOM 1117 CG ASN A 72 7.597 4.735 -10.316 1.00 0.00 C ATOM 1118 OD1 ASN A 72 6.410 5.061 -10.331 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.396 5.040 -11.324 1.00 0.00 N ATOM 0 H ASN A 72 7.573 1.275 -10.020 1.00 0.00 H new ATOM 0 HA ASN A 72 9.872 3.098 -10.177 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.353 3.570 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.786 4.579 -8.546 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.031 5.552 -12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.378 4.764 -11.298 1.00 0.00 H new ATOM 1126 N ALA A 73 9.394 0.627 -8.408 1.00 0.00 N ATOM 1127 CA ALA A 73 9.804 -0.234 -7.308 1.00 0.00 C ATOM 1128 C ALA A 73 11.236 0.029 -6.826 1.00 0.00 C ATOM 1129 O ALA A 73 11.503 -0.169 -5.645 1.00 0.00 O ATOM 1130 CB ALA A 73 9.634 -1.696 -7.728 1.00 0.00 C ATOM 0 H ALA A 73 9.006 0.114 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 73 9.161 -0.006 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.939 -2.348 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.589 -1.885 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.253 -1.898 -8.602 1.00 0.00 H new ATOM 1136 N ASP A 74 12.139 0.484 -7.694 1.00 0.00 N ATOM 1137 CA ASP A 74 13.536 0.757 -7.337 1.00 0.00 C ATOM 1138 C ASP A 74 13.639 1.812 -6.240 1.00 0.00 C ATOM 1139 O ASP A 74 14.414 1.658 -5.294 1.00 0.00 O ATOM 1140 CB ASP A 74 14.336 1.196 -8.566 1.00 0.00 C ATOM 1141 CG ASP A 74 14.640 0.002 -9.458 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.593 -0.747 -9.171 1.00 0.00 O ATOM 1143 OD2 ASP A 74 13.937 -0.217 -10.473 1.00 0.00 O ATOM 0 H ASP A 74 11.923 0.676 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 74 13.960 -0.171 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.773 1.942 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.266 1.669 -8.252 1.00 0.00 H new ATOM 1148 N LYS A 75 12.852 2.886 -6.339 1.00 0.00 N ATOM 1149 CA LYS A 75 12.858 3.947 -5.335 1.00 0.00 C ATOM 1150 C LYS A 75 12.398 3.367 -4.005 1.00 0.00 C ATOM 1151 O LYS A 75 13.038 3.552 -2.974 1.00 0.00 O ATOM 1152 CB LYS A 75 11.900 5.080 -5.757 1.00 0.00 C ATOM 1153 CG LYS A 75 12.592 6.339 -6.285 1.00 0.00 C ATOM 1154 CD LYS A 75 13.435 7.013 -5.194 1.00 0.00 C ATOM 1155 CE LYS A 75 13.528 8.514 -5.482 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.406 9.212 -4.529 1.00 0.00 N ATOM 0 H LYS A 75 12.201 3.042 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 75 13.865 4.352 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.228 4.701 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.283 5.353 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.229 6.079 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.843 7.040 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.985 6.846 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.432 6.574 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.902 8.665 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.531 8.952 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.039 10.169 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.435 8.685 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.366 9.276 -4.924 1.00 0.00 H new ATOM 1170 N LEU A 76 11.259 2.674 -4.047 1.00 0.00 N ATOM 1171 CA LEU A 76 10.616 2.049 -2.897 1.00 0.00 C ATOM 1172 C LEU A 76 11.556 1.064 -2.191 1.00 0.00 C ATOM 1173 O LEU A 76 11.473 0.937 -0.970 1.00 0.00 O ATOM 1174 CB LEU A 76 9.276 1.396 -3.299 1.00 0.00 C ATOM 1175 CG LEU A 76 8.381 2.263 -4.212 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.103 1.509 -4.592 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.019 3.617 -3.584 1.00 0.00 C ATOM 0 H LEU A 76 10.743 2.529 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 76 10.388 2.832 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.485 0.454 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.720 1.153 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 76 8.966 2.468 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.487 2.138 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.365 0.594 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.546 1.258 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.389 4.181 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.480 3.453 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.930 4.180 -3.382 1.00 0.00 H new ATOM 1189 N ALA A 77 12.464 0.419 -2.934 1.00 0.00 N ATOM 1190 CA ALA A 77 13.428 -0.535 -2.407 1.00 0.00 C ATOM 1191 C ALA A 77 14.356 0.159 -1.421 1.00 0.00 C ATOM 1192 O ALA A 77 14.349 -0.140 -0.224 1.00 0.00 O ATOM 1193 CB ALA A 77 14.236 -1.176 -3.552 1.00 0.00 C ATOM 0 H ALA A 77 12.545 0.554 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 77 12.891 -1.328 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.952 -1.887 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.558 -1.696 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.770 -0.399 -4.099 1.00 0.00 H new ATOM 1199 N ALA A 78 15.128 1.118 -1.940 1.00 0.00 N ATOM 1200 CA ALA A 78 16.084 1.894 -1.166 1.00 0.00 C ATOM 1201 C ALA A 78 15.393 2.609 -0.005 1.00 0.00 C ATOM 1202 O ALA A 78 15.968 2.781 1.067 1.00 0.00 O ATOM 1203 CB ALA A 78 16.773 2.893 -2.099 1.00 0.00 C ATOM 0 H ALA A 78 15.101 1.376 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 78 16.831 1.229 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.494 3.483 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.290 2.353 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.027 3.555 -2.538 1.00 0.00 H new ATOM 1209 N ILE A 79 14.141 3.008 -0.210 1.00 0.00 N ATOM 1210 CA ILE A 79 13.349 3.698 0.780 1.00 0.00 C ATOM 1211 C ILE A 79 13.075 2.845 2.017 1.00 0.00 C ATOM 1212 O ILE A 79 13.187 3.407 3.109 1.00 0.00 O ATOM 1213 CB ILE A 79 12.068 4.228 0.101 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.442 5.568 -0.564 1.00 0.00 C ATOM 1215 CG2 ILE A 79 10.838 4.375 1.011 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.353 6.137 -1.470 1.00 0.00 C ATOM 0 H ILE A 79 13.647 2.853 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 79 13.913 4.547 1.167 1.00 0.00 H new ATOM 0 HB ILE A 79 11.741 3.481 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.670 6.297 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.352 5.430 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.998 4.754 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.579 3.404 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.064 5.072 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.693 7.080 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.140 5.429 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.448 6.309 -0.887 1.00 0.00 H new ATOM 1228 N ALA A 80 12.760 1.547 1.911 1.00 0.00 N ATOM 1229 CA ALA A 80 12.455 0.772 3.110 1.00 0.00 C ATOM 1230 C ALA A 80 13.506 -0.273 3.521 1.00 0.00 C ATOM 1231 O ALA A 80 13.346 -0.878 4.583 1.00 0.00 O ATOM 1232 CB ALA A 80 11.125 0.092 2.847 1.00 0.00 C ATOM 0 H ALA A 80 12.712 1.029 1.034 1.00 0.00 H new ATOM 0 HA ALA A 80 12.437 1.463 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.844 -0.505 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.360 0.847 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.213 -0.555 1.974 1.00 0.00 H new ATOM 1238 N ALA A 81 14.530 -0.540 2.706 1.00 0.00 N ATOM 1239 CA ALA A 81 15.567 -1.528 3.012 1.00 0.00 C ATOM 1240 C ALA A 81 16.209 -1.280 4.388 1.00 0.00 C ATOM 1241 O ALA A 81 16.294 -0.128 4.822 1.00 0.00 O ATOM 1242 CB ALA A 81 16.629 -1.504 1.896 1.00 0.00 C ATOM 0 H ALA A 81 14.663 -0.073 1.809 1.00 0.00 H new ATOM 0 HA ALA A 81 15.105 -2.514 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.405 -2.237 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.160 -1.747 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.074 -0.511 1.839 1.00 0.00 H new ATOM 1248 N PRO A 82 16.716 -2.310 5.099 1.00 0.00 N ATOM 1249 CA PRO A 82 16.775 -3.718 4.718 1.00 0.00 C ATOM 1250 C PRO A 82 15.442 -4.467 4.875 1.00 0.00 C ATOM 1251 O PRO A 82 15.432 -5.697 4.750 1.00 0.00 O ATOM 1252 CB PRO A 82 17.868 -4.320 5.607 1.00 0.00 C ATOM 1253 CG PRO A 82 17.745 -3.518 6.898 1.00 0.00 C ATOM 1254 CD PRO A 82 17.374 -2.127 6.382 1.00 0.00 C ATOM 0 HA PRO A 82 16.994 -3.813 3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.708 -5.385 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.856 -4.214 5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.979 -3.925 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.678 -3.508 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.714 -1.619 7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.263 -1.506 6.274 1.00 0.00 H new ATOM 1262 N ALA A 83 14.341 -3.774 5.191 1.00 0.00 N ATOM 1263 CA ALA A 83 13.050 -4.431 5.324 1.00 0.00 C ATOM 1264 C ALA A 83 12.683 -5.038 3.974 1.00 0.00 C ATOM 1265 O ALA A 83 13.046 -4.521 2.911 1.00 0.00 O ATOM 1266 CB ALA A 83 11.962 -3.455 5.775 1.00 0.00 C ATOM 0 H ALA A 83 14.325 -2.768 5.357 1.00 0.00 H new ATOM 0 HA ALA A 83 13.122 -5.206 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.013 -3.983 5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.232 -3.031 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.865 -2.654 5.042 1.00 0.00 H new ATOM 1272 N GLU A 84 11.978 -6.153 4.029 1.00 0.00 N ATOM 1273 CA GLU A 84 11.510 -6.898 2.879 1.00 0.00 C ATOM 1274 C GLU A 84 10.184 -6.262 2.471 1.00 0.00 C ATOM 1275 O GLU A 84 9.288 -6.120 3.309 1.00 0.00 O ATOM 1276 CB GLU A 84 11.415 -8.371 3.287 1.00 0.00 C ATOM 1277 CG GLU A 84 12.791 -9.050 3.303 1.00 0.00 C ATOM 1278 CD GLU A 84 13.439 -9.222 1.924 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.877 -8.806 0.878 1.00 0.00 O ATOM 1280 OE2 GLU A 84 14.551 -9.789 1.880 1.00 0.00 O ATOM 0 H GLU A 84 11.706 -6.580 4.914 1.00 0.00 H new ATOM 0 HA GLU A 84 12.172 -6.865 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.962 -8.445 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.758 -8.898 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.461 -8.466 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.691 -10.031 3.767 1.00 0.00 H new ATOM 1287 N ILE A 85 10.037 -5.889 1.199 1.00 0.00 N ATOM 1288 CA ILE A 85 8.854 -5.210 0.675 1.00 0.00 C ATOM 1289 C ILE A 85 8.101 -6.000 -0.391 1.00 0.00 C ATOM 1290 O ILE A 85 8.688 -6.796 -1.116 1.00 0.00 O ATOM 1291 CB ILE A 85 9.379 -3.852 0.098 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.395 -2.698 1.115 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.556 -3.284 -1.083 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.765 -3.029 2.561 1.00 0.00 C ATOM 0 H ILE A 85 10.752 -6.054 0.491 1.00 0.00 H new ATOM 0 HA ILE A 85 8.122 -5.080 1.472 1.00 0.00 H new ATOM 0 HB ILE A 85 10.382 -4.145 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.094 -1.943 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.406 -2.241 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.996 -2.343 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.562 -3.997 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.529 -3.111 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.734 -2.120 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.055 -3.753 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.770 -3.451 2.592 1.00 0.00 H new ATOM 1306 N PHE A 86 6.805 -5.703 -0.546 1.00 0.00 N ATOM 1307 CA PHE A 86 5.933 -6.303 -1.547 1.00 0.00 C ATOM 1308 C PHE A 86 5.209 -5.241 -2.363 1.00 0.00 C ATOM 1309 O PHE A 86 5.177 -4.067 -1.993 1.00 0.00 O ATOM 1310 CB PHE A 86 4.897 -7.268 -0.969 1.00 0.00 C ATOM 1311 CG PHE A 86 5.390 -8.468 -0.207 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.740 -8.322 1.136 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.394 -9.745 -0.793 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.089 -9.436 1.899 1.00 0.00 C ATOM 1315 CE2 PHE A 86 5.792 -10.864 -0.039 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.148 -10.711 1.311 1.00 0.00 C ATOM 0 H PHE A 86 6.327 -5.019 0.041 1.00 0.00 H new ATOM 0 HA PHE A 86 6.602 -6.880 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.244 -6.699 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.280 -7.627 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.741 -7.341 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.091 -9.868 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.315 -9.318 2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.824 -11.841 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.464 -11.565 1.892 1.00 0.00 H new ATOM 1326 N LEU A 87 4.583 -5.694 -3.448 1.00 0.00 N ATOM 1327 CA LEU A 87 3.829 -4.916 -4.411 1.00 0.00 C ATOM 1328 C LEU A 87 2.464 -5.590 -4.574 1.00 0.00 C ATOM 1329 O LEU A 87 2.332 -6.551 -5.334 1.00 0.00 O ATOM 1330 CB LEU A 87 4.600 -4.835 -5.747 1.00 0.00 C ATOM 1331 CG LEU A 87 6.017 -4.228 -5.685 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.654 -4.291 -7.077 1.00 0.00 C ATOM 1333 CD2 LEU A 87 6.034 -2.768 -5.220 1.00 0.00 C ATOM 0 H LEU A 87 4.594 -6.685 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 87 3.687 -3.890 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.677 -5.841 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.007 -4.248 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 87 6.574 -4.815 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.656 -3.863 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.715 -5.329 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.045 -3.725 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.061 -2.405 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.448 -2.160 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.605 -2.700 -4.220 1.00 0.00 H new ATOM 1345 N LEU A 88 1.474 -5.087 -3.834 1.00 0.00 N ATOM 1346 CA LEU A 88 0.079 -5.540 -3.816 1.00 0.00 C ATOM 1347 C LEU A 88 -0.463 -5.585 -5.249 1.00 0.00 C ATOM 1348 O LEU A 88 -0.453 -4.552 -5.924 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.753 -4.566 -2.946 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.159 -5.023 -2.484 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.817 -3.878 -1.697 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.114 -5.503 -3.577 1.00 0.00 C ATOM 0 H LEU A 88 1.632 -4.308 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 88 0.013 -6.542 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.169 -4.331 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.871 -3.637 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.982 -5.908 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.808 -4.187 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.204 -3.634 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.906 -3.000 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.063 -5.795 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.283 -4.698 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.677 -6.359 -4.091 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.958 -6.742 -5.691 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.535 -7.012 -7.009 1.00 0.00 C ATOM 1366 C GLU A 89 -2.421 -5.860 -7.514 1.00 0.00 C ATOM 1367 O GLU A 89 -3.548 -5.702 -7.059 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.341 -8.327 -6.914 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.089 -8.714 -8.201 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.201 -9.264 -9.311 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -1.002 -8.919 -9.380 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.727 -9.998 -10.176 1.00 0.00 O ATOM 0 H GLU A 89 -0.967 -7.571 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.728 -7.106 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.661 -9.136 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.063 -8.237 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.845 -9.460 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.616 -7.837 -8.577 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.937 -5.040 -8.451 1.00 0.00 N ATOM 1380 CA ASP A 90 -2.639 -3.895 -9.054 1.00 0.00 C ATOM 1381 C ASP A 90 -3.192 -2.897 -8.028 1.00 0.00 C ATOM 1382 O ASP A 90 -3.917 -1.967 -8.381 1.00 0.00 O ATOM 1383 CB ASP A 90 -3.714 -4.369 -10.057 1.00 0.00 C ATOM 1384 CG ASP A 90 -3.134 -4.898 -11.361 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.911 -6.124 -11.496 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.875 -4.078 -12.270 1.00 0.00 O ATOM 0 H ASP A 90 -0.998 -5.160 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.889 -3.333 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.315 -5.151 -9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.386 -3.539 -10.277 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.802 -3.018 -6.765 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.231 -2.172 -5.678 1.00 0.00 C ATOM 1393 C GLY A 91 -4.702 -2.396 -5.352 1.00 0.00 C ATOM 1394 O GLY A 91 -5.104 -3.451 -4.863 1.00 0.00 O ATOM 0 H GLY A 91 -2.149 -3.743 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.625 -2.375 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.069 -1.127 -5.942 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.514 -1.376 -5.575 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.953 -1.355 -5.301 1.00 0.00 C ATOM 1400 C ILE A 92 -7.673 -2.445 -6.086 1.00 0.00 C ATOM 1401 O ILE A 92 -8.599 -3.063 -5.556 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.452 0.082 -5.553 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.931 1.001 -4.424 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.966 0.216 -5.769 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.837 1.151 -3.214 1.00 0.00 C ATOM 0 H ILE A 92 -5.179 -0.497 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.176 -1.598 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.038 0.400 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.968 0.618 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.751 1.991 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.218 1.263 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.263 -0.373 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.493 -0.146 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.369 1.817 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.794 1.569 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.999 0.175 -2.757 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.241 -2.727 -7.317 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.890 -3.771 -8.103 1.00 0.00 C ATOM 1419 C ASP A 93 -7.686 -5.137 -7.437 1.00 0.00 C ATOM 1420 O ASP A 93 -8.597 -5.958 -7.464 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.395 -3.766 -9.549 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.093 -4.853 -10.364 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -9.329 -4.769 -10.542 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -7.423 -5.833 -10.769 1.00 0.00 O ATOM 0 H ASP A 93 -6.463 -2.258 -7.780 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.960 -3.567 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.582 -2.791 -9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.317 -3.925 -9.570 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.535 -5.385 -6.797 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.245 -6.642 -6.115 1.00 0.00 C ATOM 1431 C GLY A 94 -7.073 -6.773 -4.850 1.00 0.00 C ATOM 1432 O GLY A 94 -7.605 -7.847 -4.581 1.00 0.00 O ATOM 0 H GLY A 94 -5.775 -4.708 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.455 -7.479 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.185 -6.690 -5.867 1.00 0.00 H new ATOM 1436 N TRP A 95 -7.198 -5.704 -4.060 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.001 -5.757 -2.843 1.00 0.00 C ATOM 1438 C TRP A 95 -9.417 -6.217 -3.235 1.00 0.00 C ATOM 1439 O TRP A 95 -9.924 -7.228 -2.744 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.019 -4.412 -2.155 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.875 -4.347 -0.941 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.790 -3.390 -0.707 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.841 -5.191 0.255 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.356 -3.626 0.529 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.736 -4.644 1.213 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.033 -6.267 0.680 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.833 -5.130 2.528 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.076 -6.728 2.006 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -8.967 -6.161 2.932 1.00 0.00 C ATOM 0 H TRP A 95 -6.758 -4.802 -4.241 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.572 -6.463 -2.131 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.999 -4.147 -1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.362 -3.660 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.039 -2.576 -1.372 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.150 -3.101 0.896 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.370 -6.744 -0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.559 -4.720 3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.418 -7.526 2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -8.987 -6.516 3.952 1.00 0.00 H new ATOM 1460 N LYS A 96 -10.011 -5.532 -4.226 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.348 -5.863 -4.708 1.00 0.00 C ATOM 1462 C LYS A 96 -11.380 -7.204 -5.441 1.00 0.00 C ATOM 1463 O LYS A 96 -12.440 -7.819 -5.481 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.923 -4.701 -5.535 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.466 -4.628 -5.472 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.160 -4.764 -6.832 1.00 0.00 C ATOM 1467 CE LYS A 96 -13.960 -6.169 -7.404 1.00 0.00 C ATOM 1468 NZ LYS A 96 -14.603 -6.338 -8.717 1.00 0.00 N ATOM 0 H LYS A 96 -9.578 -4.743 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.002 -5.995 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.504 -3.762 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.611 -4.811 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.829 -5.416 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.755 -3.678 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.225 -4.558 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.761 -4.024 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.893 -6.372 -7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.365 -6.903 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.439 -7.305 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.626 -6.171 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.199 -5.657 -9.391 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.266 -7.703 -5.994 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.220 -8.999 -6.687 1.00 0.00 C ATOM 1484 C LYS A 97 -10.569 -10.114 -5.691 1.00 0.00 C ATOM 1485 O LYS A 97 -11.103 -11.139 -6.113 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.856 -9.188 -7.388 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.674 -10.518 -8.137 1.00 0.00 C ATOM 1488 CD LYS A 97 -7.347 -10.573 -8.916 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.534 -10.076 -10.356 1.00 0.00 C ATOM 1490 NZ LYS A 97 -6.249 -9.823 -11.042 1.00 0.00 N ATOM 0 H LYS A 97 -9.369 -7.218 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.965 -9.038 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.715 -8.371 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.068 -9.102 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.709 -11.342 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.505 -10.660 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.599 -9.962 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.969 -11.595 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.103 -10.815 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.123 -9.159 -10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.432 -9.490 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.714 -9.099 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.695 -10.703 -11.078 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.295 -9.919 -4.393 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.613 -10.870 -3.329 1.00 0.00 C ATOM 1506 C ALA A 98 -12.045 -10.635 -2.808 1.00 0.00 C ATOM 1507 O ALA A 98 -12.470 -11.268 -1.842 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.607 -10.719 -2.184 1.00 0.00 C ATOM 0 H ALA A 98 -9.836 -9.075 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.552 -11.882 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.847 -11.429 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.601 -10.915 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.656 -9.705 -1.788 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.784 -9.684 -3.387 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.149 -9.344 -3.028 1.00 0.00 C ATOM 1516 C GLY A 99 -14.286 -8.397 -1.842 1.00 0.00 C ATOM 1517 O GLY A 99 -15.415 -8.194 -1.383 1.00 0.00 O ATOM 0 H GLY A 99 -12.425 -9.110 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.634 -8.892 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.690 -10.264 -2.804 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.192 -7.839 -1.314 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.240 -6.923 -0.184 1.00 0.00 C ATOM 1523 C LEU A 100 -13.216 -5.496 -0.727 1.00 0.00 C ATOM 1524 O LEU A 100 -12.389 -5.199 -1.588 1.00 0.00 O ATOM 1525 CB LEU A 100 -12.038 -7.147 0.739 1.00 0.00 C ATOM 1526 CG LEU A 100 -12.046 -8.499 1.472 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.719 -8.672 2.199 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -13.172 -8.593 2.508 1.00 0.00 C ATOM 0 H LEU A 100 -12.250 -8.014 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.148 -7.096 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.124 -7.072 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.008 -6.346 1.478 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.203 -9.277 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.713 -9.628 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.903 -8.649 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.590 -7.863 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.135 -9.566 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.048 -7.807 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.135 -8.473 2.011 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.118 -4.611 -0.287 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.154 -3.233 -0.747 1.00 0.00 C ATOM 1542 C PRO A 101 -13.211 -2.368 0.087 1.00 0.00 C ATOM 1543 O PRO A 101 -12.842 -2.723 1.209 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.584 -2.791 -0.462 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.842 -3.483 0.877 1.00 0.00 C ATOM 1546 CD PRO A 101 -15.149 -4.833 0.713 1.00 0.00 C ATOM 0 HA PRO A 101 -13.859 -3.142 -1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.674 -1.707 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.279 -3.118 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.426 -2.916 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.908 -3.599 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.718 -5.172 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.852 -5.600 0.390 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.926 -1.156 -0.367 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.067 -0.210 0.324 1.00 0.00 C ATOM 1556 C VAL A 102 -12.863 0.426 1.471 1.00 0.00 C ATOM 1557 O VAL A 102 -14.090 0.277 1.534 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.714 0.891 -0.694 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.714 0.376 -1.725 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.962 1.427 -1.423 1.00 0.00 C ATOM 0 H VAL A 102 -13.295 -0.796 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.174 -0.695 0.718 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.269 1.709 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.480 1.171 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.801 0.059 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.146 -0.470 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.666 2.201 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.448 0.612 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.656 1.847 -0.695 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.186 1.160 2.367 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.904 1.807 3.462 1.00 0.00 C ATOM 1572 C ALA A 103 -13.562 3.102 2.951 1.00 0.00 C ATOM 1573 O ALA A 103 -13.040 4.201 3.146 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.981 2.078 4.651 1.00 0.00 C ATOM 0 H ALA A 103 -11.178 1.314 2.354 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.685 1.135 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.547 2.560 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.571 1.136 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.167 2.731 4.338 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.676 2.979 2.226 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.425 4.113 1.694 1.00 0.00 C ATOM 1582 C VAL A 104 -16.287 4.703 2.816 1.00 0.00 C ATOM 1583 O VAL A 104 -16.382 4.144 3.912 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.302 3.709 0.476 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.563 4.013 -0.827 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.800 2.256 0.480 1.00 0.00 C ATOM 0 H VAL A 104 -15.086 2.075 1.990 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.720 4.863 1.334 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.204 4.316 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.186 3.726 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.345 5.080 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.630 3.450 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.402 2.075 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.946 1.579 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.406 2.082 1.369 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.909 5.845 2.536 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.775 6.577 3.442 1.00 0.00 C ATOM 1598 C ASN A 105 -18.926 7.095 2.592 1.00 0.00 C ATOM 1599 O ASN A 105 -18.662 7.786 1.605 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.999 7.751 4.047 1.00 0.00 C ATOM 1601 CG ASN A 105 -15.972 7.324 5.085 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -16.302 6.668 6.070 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -14.714 7.681 4.900 1.00 0.00 N ATOM 0 H ASN A 105 -16.816 6.302 1.629 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.135 5.952 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.494 8.293 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.703 8.444 4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -14.002 7.412 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -14.454 8.226 4.078 1.00 0.00 H new ATOM 1610 N LYS A 106 -20.169 6.736 2.915 1.00 0.00 N ATOM 1611 CA LYS A 106 -21.363 7.157 2.182 1.00 0.00 C ATOM 1612 C LYS A 106 -22.402 7.687 3.171 1.00 0.00 C ATOM 1613 O LYS A 106 -22.402 7.300 4.340 1.00 0.00 O ATOM 1614 CB LYS A 106 -21.955 5.970 1.386 1.00 0.00 C ATOM 1615 CG LYS A 106 -21.703 5.949 -0.129 1.00 0.00 C ATOM 1616 CD LYS A 106 -20.253 5.746 -0.594 1.00 0.00 C ATOM 1617 CE LYS A 106 -20.279 5.473 -2.106 1.00 0.00 C ATOM 1618 NZ LYS A 106 -18.966 5.638 -2.771 1.00 0.00 N ATOM 0 H LYS A 106 -20.378 6.132 3.710 1.00 0.00 H new ATOM 0 HA LYS A 106 -21.090 7.944 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -21.557 5.047 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -23.033 5.956 1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -22.312 5.155 -0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -22.063 6.890 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.654 6.630 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.795 4.912 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -20.635 4.457 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -20.999 6.145 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.064 5.437 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.632 6.614 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.279 4.978 -2.352 1.00 0.00 H new ATOM 1632 N SER A 107 -23.306 8.525 2.676 1.00 0.00 N ATOM 1633 CA SER A 107 -24.413 9.162 3.385 1.00 0.00 C ATOM 1634 C SER A 107 -25.641 9.269 2.465 1.00 0.00 C ATOM 1635 O SER A 107 -26.776 9.223 2.953 1.00 0.00 O ATOM 1636 CB SER A 107 -23.991 10.562 3.839 1.00 0.00 C ATOM 1637 OG SER A 107 -22.929 10.511 4.775 1.00 0.00 O ATOM 0 H SER A 107 -23.283 8.798 1.694 1.00 0.00 H new ATOM 0 HA SER A 107 -24.673 8.557 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.685 11.149 2.973 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.845 11.073 4.284 1.00 0.00 H new ATOM 0 HG SER A 107 -22.684 11.422 5.042 1.00 0.00 H new ATOM 1643 N GLN A 108 -25.424 9.414 1.153 1.00 0.00 N ATOM 1644 CA GLN A 108 -26.415 9.518 0.095 1.00 0.00 C ATOM 1645 C GLN A 108 -25.939 8.618 -1.026 1.00 0.00 C ATOM 1646 O GLN A 108 -26.738 7.803 -1.529 1.00 0.00 O ATOM 1647 CB GLN A 108 -26.639 10.986 -0.345 1.00 0.00 C ATOM 1648 CG GLN A 108 -25.450 11.765 -0.956 1.00 0.00 C ATOM 1649 CD GLN A 108 -25.491 11.879 -2.491 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -25.577 12.970 -3.050 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -25.380 10.779 -3.218 1.00 0.00 N ATOM 0 H GLN A 108 -24.475 9.465 0.783 1.00 0.00 H new ATOM 0 HA GLN A 108 -27.398 9.193 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -27.449 10.993 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -26.988 11.543 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -25.429 12.768 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -24.521 11.275 -0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -25.308 9.870 -2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -25.366 10.840 -4.236 1.00 0.00 H new TER 1660 GLN A 108