USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 27 THR OG1 : rot 180:sc= -0.393 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.018 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= 0.0932 F(o=-1.2,f=0.093) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -23:sc= 0.971 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0111 K(o=-0.011,f=-2) USER MOD Single : A 36 MET CE :methyl -161:sc= -0.0616 (180deg=-0.467) USER MOD Single : A 41 HIS : no HE2:sc= -9.5! C(o=-9.5!,f=-14!) USER MOD Single : A 43 SER OG : rot 180:sc= -4.71! USER MOD Single : A 48 SER OG : rot -96:sc= 0.373 USER MOD Single : A 53 MET CE :methyl -177:sc= -4.23! (180deg=-4.35!) USER MOD Single : A 54 SER OG : rot 180:sc= -1.82 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= -0.0127 (180deg=-0.349) USER MOD Single : A 65 LYS NZ :NH3+ -115:sc= -0.388 (180deg=-2.36!) USER MOD Single : A 67 ASN : amide:sc= -3.03 K(o=-3,f=-8.8!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0.212 (180deg=0.195) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.12) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0505 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 1.726 14.449 6.716 1.00 0.00 N ATOM 2 CA PRO A 9 1.212 15.282 5.595 1.00 0.00 C ATOM 3 C PRO A 9 0.814 14.432 4.391 1.00 0.00 C ATOM 4 O PRO A 9 -0.319 14.507 3.913 1.00 0.00 O ATOM 5 CB PRO A 9 2.313 16.268 5.213 1.00 0.00 C ATOM 6 CG PRO A 9 3.490 15.842 6.027 1.00 0.00 C ATOM 7 CD PRO A 9 2.935 15.114 7.227 1.00 0.00 C ATOM 0 HA PRO A 9 0.312 15.808 5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.531 16.226 4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.024 17.294 5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.148 15.193 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.082 16.704 6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.650 14.392 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.698 15.804 8.037 1.00 0.00 H new ATOM 15 N GLY A 10 1.752 13.626 3.906 1.00 0.00 N ATOM 16 CA GLY A 10 1.479 12.774 2.763 1.00 0.00 C ATOM 17 C GLY A 10 2.745 12.222 2.138 1.00 0.00 C ATOM 18 O GLY A 10 3.570 12.976 1.619 1.00 0.00 O ATOM 0 H GLY A 10 2.696 13.547 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.840 11.947 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.925 13.341 2.015 1.00 0.00 H new ATOM 22 N LEU A 11 2.903 10.904 2.192 1.00 0.00 N ATOM 23 CA LEU A 11 4.076 10.252 1.633 1.00 0.00 C ATOM 24 C LEU A 11 4.070 10.319 0.110 1.00 0.00 C ATOM 25 O LEU A 11 3.024 10.178 -0.525 1.00 0.00 O ATOM 26 CB LEU A 11 4.142 8.795 2.090 1.00 0.00 C ATOM 27 CG LEU A 11 3.724 8.552 3.545 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.485 7.671 3.607 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.866 7.925 4.330 1.00 0.00 C ATOM 0 H LEU A 11 2.230 10.267 2.619 1.00 0.00 H new ATOM 0 HA LEU A 11 4.957 10.781 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.504 8.197 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.162 8.434 1.956 1.00 0.00 H new ATOM 0 HG LEU A 11 3.482 9.514 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.205 7.510 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.665 8.159 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.697 6.711 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.551 7.760 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.139 6.972 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.727 8.593 4.316 1.00 0.00 H new ATOM 41 N GLN A 12 5.244 10.544 -0.471 1.00 0.00 N ATOM 42 CA GLN A 12 5.379 10.642 -1.915 1.00 0.00 C ATOM 43 C GLN A 12 4.975 9.344 -2.609 1.00 0.00 C ATOM 44 O GLN A 12 5.330 8.250 -2.171 1.00 0.00 O ATOM 45 CB GLN A 12 6.815 11.009 -2.286 1.00 0.00 C ATOM 46 CG GLN A 12 6.907 12.184 -3.242 1.00 0.00 C ATOM 47 CD GLN A 12 6.595 11.793 -4.675 1.00 0.00 C ATOM 48 OE1 GLN A 12 5.313 11.805 -5.029 1.00 0.00 O flip ATOM 49 NE2 GLN A 12 7.496 11.483 -5.456 1.00 0.00 N flip ATOM 0 H GLN A 12 6.118 10.662 0.041 1.00 0.00 H new ATOM 0 HA GLN A 12 4.705 11.427 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.369 11.245 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.299 10.143 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.215 12.963 -2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.910 12.609 -3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.467 11.487 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.271 11.222 -6.416 1.00 0.00 H new ATOM 58 N ILE A 13 4.223 9.485 -3.695 1.00 0.00 N ATOM 59 CA ILE A 13 3.750 8.352 -4.473 1.00 0.00 C ATOM 60 C ILE A 13 4.885 7.639 -5.203 1.00 0.00 C ATOM 61 O ILE A 13 5.777 8.274 -5.763 1.00 0.00 O ATOM 62 CB ILE A 13 2.725 8.826 -5.516 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.606 9.617 -4.835 1.00 0.00 C ATOM 64 CG2 ILE A 13 2.167 7.652 -6.310 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.592 8.750 -4.126 1.00 0.00 C ATOM 0 H ILE A 13 3.925 10.390 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 13 3.296 7.652 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 13 3.230 9.485 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.047 10.307 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.094 10.222 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.445 8.017 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.980 7.143 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.676 6.954 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.169 9.381 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.122 8.078 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.091 8.164 -3.354 1.00 0.00 H new ATOM 77 N TYR A 14 4.816 6.312 -5.218 1.00 0.00 N ATOM 78 CA TYR A 14 5.804 5.489 -5.905 1.00 0.00 C ATOM 79 C TYR A 14 5.094 4.523 -6.847 1.00 0.00 C ATOM 80 O TYR A 14 3.887 4.312 -6.727 1.00 0.00 O ATOM 81 CB TYR A 14 6.658 4.705 -4.906 1.00 0.00 C ATOM 82 CG TYR A 14 7.178 5.532 -3.753 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.607 6.838 -3.943 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.247 5.000 -2.475 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.088 7.590 -2.889 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.723 5.741 -1.416 1.00 0.00 C ATOM 87 CZ TYR A 14 8.144 7.038 -1.626 1.00 0.00 C ATOM 88 OH TYR A 14 8.621 7.783 -0.573 1.00 0.00 O ATOM 0 H TYR A 14 4.078 5.780 -4.757 1.00 0.00 H new ATOM 0 HA TYR A 14 6.463 6.144 -6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.067 3.880 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.504 4.266 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.564 7.273 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.921 3.984 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.419 8.605 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.766 5.309 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 14 8.593 7.247 0.247 1.00 0.00 H new ATOM 98 N PRO A 15 5.819 3.923 -7.805 1.00 0.00 N ATOM 99 CA PRO A 15 5.224 2.990 -8.759 1.00 0.00 C ATOM 100 C PRO A 15 5.059 1.583 -8.196 1.00 0.00 C ATOM 101 O PRO A 15 5.408 0.604 -8.853 1.00 0.00 O ATOM 102 CB PRO A 15 6.223 3.000 -9.911 1.00 0.00 C ATOM 103 CG PRO A 15 7.540 3.266 -9.264 1.00 0.00 C ATOM 104 CD PRO A 15 7.262 4.115 -8.047 1.00 0.00 C ATOM 0 HA PRO A 15 4.213 3.284 -9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.227 2.047 -10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.978 3.770 -10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.028 2.333 -8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.211 3.782 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.857 3.795 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.501 5.163 -8.227 1.00 0.00 H new ATOM 112 N TYR A 16 4.499 1.496 -6.992 1.00 0.00 N ATOM 113 CA TYR A 16 4.254 0.205 -6.336 1.00 0.00 C ATOM 114 C TYR A 16 5.530 -0.608 -6.161 1.00 0.00 C ATOM 115 O TYR A 16 5.989 -0.841 -5.046 1.00 0.00 O ATOM 116 CB TYR A 16 3.236 -0.603 -7.145 1.00 0.00 C ATOM 117 CG TYR A 16 2.870 -1.949 -6.548 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.296 -2.050 -5.283 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.079 -3.121 -7.265 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.942 -3.279 -4.755 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.731 -4.352 -6.742 1.00 0.00 C ATOM 122 CZ TYR A 16 2.162 -4.426 -5.490 1.00 0.00 C ATOM 123 OH TYR A 16 1.812 -5.651 -4.972 1.00 0.00 O ATOM 0 H TYR A 16 4.204 2.305 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 16 3.861 0.416 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.327 -0.011 -7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.634 -0.762 -8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.124 -1.154 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.521 -3.069 -8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.496 -3.340 -3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.905 -5.252 -7.313 1.00 0.00 H new ATOM 0 HH TYR A 16 1.777 -5.595 -3.994 1.00 0.00 H new ATOM 133 N GLU A 17 6.073 -1.047 -7.279 1.00 0.00 N ATOM 134 CA GLU A 17 7.290 -1.859 -7.311 1.00 0.00 C ATOM 135 C GLU A 17 8.364 -1.302 -6.386 1.00 0.00 C ATOM 136 O GLU A 17 9.214 -2.042 -5.889 1.00 0.00 O ATOM 137 CB GLU A 17 7.829 -1.939 -8.741 1.00 0.00 C ATOM 138 CG GLU A 17 7.137 -2.988 -9.594 1.00 0.00 C ATOM 139 CD GLU A 17 7.975 -3.420 -10.782 1.00 0.00 C ATOM 140 OE1 GLU A 17 9.218 -3.434 -10.659 1.00 0.00 O ATOM 141 OE2 GLU A 17 7.387 -3.743 -11.837 1.00 0.00 O ATOM 0 H GLU A 17 5.685 -0.853 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 17 7.030 -2.858 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.718 -0.965 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.896 -2.157 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.909 -3.859 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.186 -2.592 -9.950 1.00 0.00 H new ATOM 148 N MET A 18 8.320 0.001 -6.156 1.00 0.00 N ATOM 149 CA MET A 18 9.290 0.652 -5.289 1.00 0.00 C ATOM 150 C MET A 18 9.101 0.203 -3.843 1.00 0.00 C ATOM 151 O MET A 18 10.032 0.235 -3.039 1.00 0.00 O ATOM 152 CB MET A 18 9.157 2.174 -5.387 1.00 0.00 C ATOM 153 CG MET A 18 10.234 2.825 -6.241 1.00 0.00 C ATOM 154 SD MET A 18 11.570 3.529 -5.255 1.00 0.00 S ATOM 155 CE MET A 18 12.998 2.784 -6.037 1.00 0.00 C ATOM 0 H MET A 18 7.623 0.629 -6.557 1.00 0.00 H new ATOM 0 HA MET A 18 10.289 0.365 -5.617 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.179 2.419 -5.801 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.194 2.599 -4.384 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.645 2.085 -6.927 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.785 3.609 -6.850 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.905 3.124 -5.537 1.00 0.00 H new ATOM 0 HE2 MET A 18 12.928 1.699 -5.964 1.00 0.00 H new ATOM 0 HE3 MET A 18 13.031 3.075 -7.087 1.00 0.00 H new ATOM 165 N LEU A 19 7.879 -0.204 -3.526 1.00 0.00 N ATOM 166 CA LEU A 19 7.527 -0.652 -2.188 1.00 0.00 C ATOM 167 C LEU A 19 7.218 -2.150 -2.160 1.00 0.00 C ATOM 168 O LEU A 19 7.164 -2.759 -1.093 1.00 0.00 O ATOM 169 CB LEU A 19 6.309 0.130 -1.714 1.00 0.00 C ATOM 170 CG LEU A 19 6.412 1.644 -1.902 1.00 0.00 C ATOM 171 CD1 LEU A 19 5.327 2.143 -2.847 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.328 2.349 -0.559 1.00 0.00 C ATOM 0 H LEU A 19 7.105 -0.232 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 19 8.376 -0.476 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.431 -0.231 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.147 -0.081 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 19 7.379 1.874 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.418 3.223 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.439 1.659 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.347 1.905 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.403 3.426 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.376 2.114 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.145 2.014 0.080 1.00 0.00 H new ATOM 184 N VAL A 20 7.001 -2.733 -3.336 1.00 0.00 N ATOM 185 CA VAL A 20 6.682 -4.153 -3.445 1.00 0.00 C ATOM 186 C VAL A 20 7.696 -5.027 -2.715 1.00 0.00 C ATOM 187 O VAL A 20 8.892 -4.988 -3.004 1.00 0.00 O ATOM 188 CB VAL A 20 6.600 -4.594 -4.923 1.00 0.00 C ATOM 189 CG1 VAL A 20 6.545 -6.110 -5.048 1.00 0.00 C ATOM 190 CG2 VAL A 20 5.390 -3.967 -5.587 1.00 0.00 C ATOM 0 H VAL A 20 7.041 -2.242 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 20 5.709 -4.287 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 20 7.503 -4.251 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.488 -6.386 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.442 -6.544 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.665 -6.486 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.341 -4.284 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.485 -4.284 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.472 -2.881 -5.542 1.00 0.00 H new ATOM 200 N VAL A 21 7.199 -5.833 -1.782 1.00 0.00 N ATOM 201 CA VAL A 21 8.038 -6.738 -1.028 1.00 0.00 C ATOM 202 C VAL A 21 7.669 -8.185 -1.338 1.00 0.00 C ATOM 203 O VAL A 21 6.568 -8.636 -1.024 1.00 0.00 O ATOM 204 CB VAL A 21 7.917 -6.494 0.490 1.00 0.00 C ATOM 205 CG1 VAL A 21 8.833 -7.432 1.263 1.00 0.00 C ATOM 206 CG2 VAL A 21 8.227 -5.043 0.824 1.00 0.00 C ATOM 0 H VAL A 21 6.210 -5.872 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 21 9.070 -6.549 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 21 6.890 -6.703 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.731 -7.242 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.559 -8.465 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.866 -7.262 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.137 -4.890 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.243 -4.806 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.524 -4.392 0.304 1.00 0.00 H new ATOM 216 N THR A 22 8.593 -8.904 -1.962 1.00 0.00 N ATOM 217 CA THR A 22 8.367 -10.291 -2.321 1.00 0.00 C ATOM 218 C THR A 22 9.645 -11.116 -2.160 1.00 0.00 C ATOM 219 O THR A 22 10.553 -10.730 -1.424 1.00 0.00 O ATOM 220 CB THR A 22 7.842 -10.396 -3.747 1.00 0.00 C ATOM 221 OG1 THR A 22 7.372 -9.144 -4.211 1.00 0.00 O ATOM 222 CG2 THR A 22 6.714 -11.393 -3.898 1.00 0.00 C ATOM 0 H THR A 22 9.509 -8.544 -2.229 1.00 0.00 H new ATOM 0 HA THR A 22 7.615 -10.695 -1.643 1.00 0.00 H new ATOM 0 HB THR A 22 8.692 -10.738 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.042 -9.238 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.387 -11.418 -4.938 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.062 -12.383 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.879 -11.097 -3.262 1.00 0.00 H new ATOM 230 N ASN A 23 9.705 -12.257 -2.845 1.00 0.00 N ATOM 231 CA ASN A 23 10.864 -13.135 -2.772 1.00 0.00 C ATOM 232 C ASN A 23 12.046 -12.591 -3.577 1.00 0.00 C ATOM 233 O ASN A 23 13.074 -13.257 -3.703 1.00 0.00 O ATOM 234 CB ASN A 23 10.497 -14.533 -3.272 1.00 0.00 C ATOM 235 CG ASN A 23 9.296 -15.108 -2.548 1.00 0.00 C ATOM 236 OD1 ASN A 23 8.161 -14.691 -2.776 1.00 0.00 O ATOM 237 ND2 ASN A 23 9.540 -16.073 -1.669 1.00 0.00 N ATOM 0 H ASN A 23 8.961 -12.593 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 23 11.169 -13.187 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.288 -14.490 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.350 -15.199 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.770 -16.499 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.497 -16.389 -1.511 1.00 0.00 H new ATOM 244 N LYS A 24 11.902 -11.384 -4.122 1.00 0.00 N ATOM 245 CA LYS A 24 12.961 -10.770 -4.908 1.00 0.00 C ATOM 246 C LYS A 24 14.076 -10.211 -4.023 1.00 0.00 C ATOM 247 O LYS A 24 15.028 -9.611 -4.521 1.00 0.00 O ATOM 248 CB LYS A 24 12.390 -9.658 -5.789 1.00 0.00 C ATOM 249 CG LYS A 24 11.528 -10.170 -6.934 1.00 0.00 C ATOM 250 CD LYS A 24 10.105 -9.641 -6.842 1.00 0.00 C ATOM 251 CE LYS A 24 9.230 -10.197 -7.955 1.00 0.00 C ATOM 252 NZ LYS A 24 8.060 -10.946 -7.419 1.00 0.00 N ATOM 0 H LYS A 24 11.060 -10.815 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 24 13.393 -11.548 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.796 -8.985 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 24 13.213 -9.072 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.968 -9.869 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.513 -11.260 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.679 -9.908 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.116 -8.552 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.880 -9.379 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.824 -10.856 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.489 -11.309 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.394 -11.742 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.479 -10.311 -6.835 1.00 0.00 H new ATOM 266 N GLY A 25 13.957 -10.410 -2.715 1.00 0.00 N ATOM 267 CA GLY A 25 14.965 -9.918 -1.795 1.00 0.00 C ATOM 268 C GLY A 25 14.423 -8.871 -0.841 1.00 0.00 C ATOM 269 O GLY A 25 13.690 -7.971 -1.251 1.00 0.00 O ATOM 0 H GLY A 25 13.180 -10.903 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.367 -10.753 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.793 -9.493 -2.362 1.00 0.00 H new ATOM 273 N ARG A 26 14.780 -8.994 0.434 1.00 0.00 N ATOM 274 CA ARG A 26 14.323 -8.055 1.452 1.00 0.00 C ATOM 275 C ARG A 26 14.946 -6.675 1.249 1.00 0.00 C ATOM 276 O ARG A 26 15.726 -6.204 2.078 1.00 0.00 O ATOM 277 CB ARG A 26 14.632 -8.568 2.871 1.00 0.00 C ATOM 278 CG ARG A 26 15.795 -9.551 2.962 1.00 0.00 C ATOM 279 CD ARG A 26 17.065 -8.989 2.341 1.00 0.00 C ATOM 280 NE ARG A 26 18.255 -9.352 3.108 1.00 0.00 N ATOM 281 CZ ARG A 26 19.494 -9.298 2.623 1.00 0.00 C ATOM 282 NH1 ARG A 26 19.709 -8.900 1.375 1.00 0.00 N ATOM 283 NH2 ARG A 26 20.520 -9.644 3.389 1.00 0.00 N ATOM 0 H ARG A 26 15.385 -9.736 0.787 1.00 0.00 H new ATOM 0 HA ARG A 26 13.242 -7.969 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.848 -7.713 3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.738 -9.048 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.981 -9.797 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.525 -10.480 2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 26 17.164 -9.359 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.990 -7.903 2.281 1.00 0.00 H new ATOM 0 HE ARG A 26 18.129 -9.665 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 26 18.923 -8.634 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 26 20.660 -8.861 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 26 20.359 -9.951 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 26 21.470 -9.603 3.019 1.00 0.00 H new ATOM 297 N THR A 27 14.596 -6.030 0.141 1.00 0.00 N ATOM 298 CA THR A 27 15.122 -4.708 -0.169 1.00 0.00 C ATOM 299 C THR A 27 14.603 -3.662 0.804 1.00 0.00 C ATOM 300 O THR A 27 13.604 -3.869 1.493 1.00 0.00 O ATOM 301 CB THR A 27 14.786 -4.290 -1.605 1.00 0.00 C ATOM 302 OG1 THR A 27 14.703 -2.882 -1.710 1.00 0.00 O ATOM 303 CG2 THR A 27 13.488 -4.866 -2.132 1.00 0.00 C ATOM 0 H THR A 27 13.951 -6.402 -0.556 1.00 0.00 H new ATOM 0 HA THR A 27 16.206 -4.770 -0.071 1.00 0.00 H new ATOM 0 HB THR A 27 15.601 -4.691 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.489 -2.635 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.325 -4.521 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.542 -5.955 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.662 -4.537 -1.502 1.00 0.00 H new ATOM 311 N LYS A 28 15.300 -2.538 0.848 1.00 0.00 N ATOM 312 CA LYS A 28 14.931 -1.438 1.732 1.00 0.00 C ATOM 313 C LYS A 28 13.782 -0.628 1.142 1.00 0.00 C ATOM 314 O LYS A 28 13.662 -0.498 -0.077 1.00 0.00 O ATOM 315 CB LYS A 28 16.136 -0.528 1.979 1.00 0.00 C ATOM 316 CG LYS A 28 16.698 0.094 0.712 1.00 0.00 C ATOM 317 CD LYS A 28 17.895 -0.686 0.191 1.00 0.00 C ATOM 318 CE LYS A 28 17.858 -0.819 -1.323 1.00 0.00 C ATOM 319 NZ LYS A 28 18.300 -2.167 -1.773 1.00 0.00 N ATOM 0 H LYS A 28 16.129 -2.361 0.280 1.00 0.00 H new ATOM 0 HA LYS A 28 14.604 -1.862 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.846 0.267 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.921 -1.103 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.923 0.126 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.993 1.124 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.815 -0.185 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.910 -1.677 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.845 -0.632 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.499 -0.059 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.260 -2.217 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.276 -2.336 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.673 -2.891 -1.368 1.00 0.00 H new ATOM 333 N LEU A 29 12.937 -0.088 2.013 1.00 0.00 N ATOM 334 CA LEU A 29 11.797 0.703 1.582 1.00 0.00 C ATOM 335 C LEU A 29 12.222 2.124 1.224 1.00 0.00 C ATOM 336 O LEU A 29 13.229 2.625 1.722 1.00 0.00 O ATOM 337 CB LEU A 29 10.730 0.740 2.678 1.00 0.00 C ATOM 338 CG LEU A 29 9.738 -0.424 2.661 1.00 0.00 C ATOM 339 CD1 LEU A 29 8.670 -0.226 3.725 1.00 0.00 C ATOM 340 CD2 LEU A 29 9.102 -0.564 1.286 1.00 0.00 C ATOM 0 H LEU A 29 13.023 -0.186 3.025 1.00 0.00 H new ATOM 0 HA LEU A 29 11.379 0.233 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.228 0.758 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.173 1.673 2.589 1.00 0.00 H new ATOM 0 HG LEU A 29 10.281 -1.343 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.972 -1.063 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.140 -0.175 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.131 0.702 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.399 -1.397 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.573 0.355 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.878 -0.750 0.543 1.00 0.00 H new ATOM 352 N PRO A 30 11.452 2.798 0.351 1.00 0.00 N ATOM 353 CA PRO A 30 11.752 4.169 -0.072 1.00 0.00 C ATOM 354 C PRO A 30 11.933 5.111 1.115 1.00 0.00 C ATOM 355 O PRO A 30 11.639 4.750 2.255 1.00 0.00 O ATOM 356 CB PRO A 30 10.521 4.568 -0.889 1.00 0.00 C ATOM 357 CG PRO A 30 9.953 3.280 -1.372 1.00 0.00 C ATOM 358 CD PRO A 30 10.232 2.275 -0.291 1.00 0.00 C ATOM 0 HA PRO A 30 12.686 4.229 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.801 5.114 -0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.792 5.218 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.882 3.370 -1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.413 2.979 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.405 2.204 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.389 1.277 -0.700 1.00 0.00 H new ATOM 366 N PRO A 31 12.420 6.339 0.865 1.00 0.00 N ATOM 367 CA PRO A 31 12.638 7.333 1.922 1.00 0.00 C ATOM 368 C PRO A 31 11.329 7.827 2.530 1.00 0.00 C ATOM 369 O PRO A 31 10.612 8.620 1.920 1.00 0.00 O ATOM 370 CB PRO A 31 13.359 8.474 1.201 1.00 0.00 C ATOM 371 CG PRO A 31 12.965 8.330 -0.228 1.00 0.00 C ATOM 372 CD PRO A 31 12.796 6.856 -0.464 1.00 0.00 C ATOM 0 HA PRO A 31 13.202 6.920 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.060 9.444 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.440 8.399 1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.039 8.867 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.727 8.746 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.025 6.654 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.716 6.399 -0.828 1.00 0.00 H new ATOM 380 N GLY A 32 11.025 7.353 3.733 1.00 0.00 N ATOM 381 CA GLY A 32 9.803 7.758 4.403 1.00 0.00 C ATOM 382 C GLY A 32 8.605 6.935 3.970 1.00 0.00 C ATOM 383 O GLY A 32 7.715 7.436 3.287 1.00 0.00 O ATOM 0 H GLY A 32 11.603 6.695 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.935 7.663 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.611 8.811 4.196 1.00 0.00 H new ATOM 387 N VAL A 33 8.587 5.665 4.366 1.00 0.00 N ATOM 388 CA VAL A 33 7.512 4.766 4.025 1.00 0.00 C ATOM 389 C VAL A 33 6.789 4.279 5.259 1.00 0.00 C ATOM 390 O VAL A 33 7.353 4.220 6.352 1.00 0.00 O ATOM 391 CB VAL A 33 8.015 3.577 3.202 1.00 0.00 C ATOM 392 CG1 VAL A 33 6.947 2.501 3.063 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.483 4.057 1.843 1.00 0.00 C ATOM 0 H VAL A 33 9.322 5.240 4.932 1.00 0.00 H new ATOM 0 HA VAL A 33 6.807 5.329 3.414 1.00 0.00 H new ATOM 0 HB VAL A 33 8.857 3.126 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.340 1.673 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.663 2.140 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.072 2.919 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.840 3.208 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.654 4.533 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.292 4.776 1.970 1.00 0.00 H new ATOM 403 N ASP A 34 5.523 3.966 5.075 1.00 0.00 N ATOM 404 CA ASP A 34 4.686 3.517 6.158 1.00 0.00 C ATOM 405 C ASP A 34 4.379 2.030 6.047 1.00 0.00 C ATOM 406 O ASP A 34 3.469 1.625 5.323 1.00 0.00 O ATOM 407 CB ASP A 34 3.399 4.331 6.133 1.00 0.00 C ATOM 408 CG ASP A 34 2.983 4.808 7.511 1.00 0.00 C ATOM 409 OD1 ASP A 34 3.414 5.911 7.912 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.228 4.081 8.188 1.00 0.00 O ATOM 0 H ASP A 34 5.051 4.017 4.172 1.00 0.00 H new ATOM 0 HA ASP A 34 5.209 3.664 7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.531 5.193 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.599 3.726 5.705 1.00 0.00 H new ATOM 415 N ARG A 35 5.137 1.220 6.777 1.00 0.00 N ATOM 416 CA ARG A 35 4.940 -0.226 6.772 1.00 0.00 C ATOM 417 C ARG A 35 3.494 -0.575 7.113 1.00 0.00 C ATOM 418 O ARG A 35 2.954 -1.573 6.635 1.00 0.00 O ATOM 419 CB ARG A 35 5.889 -0.894 7.770 1.00 0.00 C ATOM 420 CG ARG A 35 5.815 -2.413 7.757 1.00 0.00 C ATOM 421 CD ARG A 35 5.331 -2.961 9.090 1.00 0.00 C ATOM 422 NE ARG A 35 6.374 -2.911 10.113 1.00 0.00 N ATOM 423 CZ ARG A 35 7.468 -3.669 10.094 1.00 0.00 C ATOM 424 NH1 ARG A 35 7.669 -4.533 9.107 1.00 0.00 N ATOM 425 NH2 ARG A 35 8.366 -3.559 11.065 1.00 0.00 N ATOM 0 H ARG A 35 5.895 1.540 7.381 1.00 0.00 H new ATOM 0 HA ARG A 35 5.159 -0.597 5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.911 -0.586 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.659 -0.536 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.142 -2.738 6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.799 -2.824 7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.466 -2.388 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.000 -3.991 8.960 1.00 0.00 H new ATOM 0 HE ARG A 35 6.257 -2.257 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.983 -4.619 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.509 -5.111 9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.217 -2.894 11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.205 -4.139 11.052 1.00 0.00 H new ATOM 439 N MET A 36 2.875 0.256 7.947 1.00 0.00 N ATOM 440 CA MET A 36 1.498 0.046 8.359 1.00 0.00 C ATOM 441 C MET A 36 0.523 0.837 7.485 1.00 0.00 C ATOM 442 O MET A 36 -0.678 0.865 7.754 1.00 0.00 O ATOM 443 CB MET A 36 1.320 0.447 9.824 1.00 0.00 C ATOM 444 CG MET A 36 2.437 -0.042 10.732 1.00 0.00 C ATOM 445 SD MET A 36 2.310 0.616 12.406 1.00 0.00 S ATOM 446 CE MET A 36 2.706 2.341 12.123 1.00 0.00 C ATOM 0 H MET A 36 3.312 1.085 8.351 1.00 0.00 H new ATOM 0 HA MET A 36 1.275 -1.014 8.241 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.260 1.533 9.889 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.371 0.053 10.186 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.417 -1.131 10.771 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.398 0.244 10.305 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.999 2.806 13.064 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.528 2.414 11.411 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.832 2.854 11.722 1.00 0.00 H new ATOM 456 N ARG A 37 1.042 1.479 6.441 1.00 0.00 N ATOM 457 CA ARG A 37 0.210 2.265 5.538 1.00 0.00 C ATOM 458 C ARG A 37 0.905 2.440 4.192 1.00 0.00 C ATOM 459 O ARG A 37 1.116 3.559 3.725 1.00 0.00 O ATOM 460 CB ARG A 37 -0.101 3.631 6.154 1.00 0.00 C ATOM 461 CG ARG A 37 -1.537 4.082 5.942 1.00 0.00 C ATOM 462 CD ARG A 37 -2.407 3.758 7.145 1.00 0.00 C ATOM 463 NE ARG A 37 -2.405 4.838 8.130 1.00 0.00 N ATOM 464 CZ ARG A 37 -3.142 5.941 8.022 1.00 0.00 C ATOM 465 NH1 ARG A 37 -3.934 6.119 6.972 1.00 0.00 N ATOM 466 NH2 ARG A 37 -3.085 6.871 8.966 1.00 0.00 N ATOM 0 H ARG A 37 2.033 1.470 6.201 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.727 1.732 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.105 3.593 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.571 4.375 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.558 5.156 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.945 3.596 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.429 3.572 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.051 2.840 7.613 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.804 4.741 8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.980 5.408 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.496 6.967 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.477 6.741 9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.650 7.716 8.884 1.00 0.00 H new ATOM 480 N LEU A 38 1.264 1.319 3.578 1.00 0.00 N ATOM 481 CA LEU A 38 1.941 1.327 2.292 1.00 0.00 C ATOM 482 C LEU A 38 1.011 1.804 1.186 1.00 0.00 C ATOM 483 O LEU A 38 1.447 2.373 0.185 1.00 0.00 O ATOM 484 CB LEU A 38 2.441 -0.085 1.973 1.00 0.00 C ATOM 485 CG LEU A 38 3.956 -0.305 2.043 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.708 0.902 1.511 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.380 -0.615 3.469 1.00 0.00 C ATOM 0 H LEU A 38 1.095 0.387 3.956 1.00 0.00 H new ATOM 0 HA LEU A 38 2.783 2.016 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.963 -0.780 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.104 -0.348 0.970 1.00 0.00 H new ATOM 0 HG LEU A 38 4.205 -1.159 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.781 0.719 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.429 1.076 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.455 1.779 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.459 -0.769 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.112 0.219 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.874 -1.518 3.811 1.00 0.00 H new ATOM 499 N GLU A 39 -0.269 1.556 1.381 1.00 0.00 N ATOM 500 CA GLU A 39 -1.293 1.940 0.413 1.00 0.00 C ATOM 501 C GLU A 39 -1.218 3.428 0.096 1.00 0.00 C ATOM 502 O GLU A 39 -1.594 3.861 -0.993 1.00 0.00 O ATOM 503 CB GLU A 39 -2.683 1.589 0.945 1.00 0.00 C ATOM 504 CG GLU A 39 -2.810 0.143 1.400 1.00 0.00 C ATOM 505 CD GLU A 39 -2.648 -0.012 2.899 1.00 0.00 C ATOM 506 OE1 GLU A 39 -1.597 0.407 3.428 1.00 0.00 O ATOM 507 OE2 GLU A 39 -3.571 -0.552 3.543 1.00 0.00 O ATOM 0 H GLU A 39 -0.634 1.085 2.209 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.111 1.385 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.920 2.247 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.421 1.783 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.784 -0.244 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.058 -0.461 0.892 1.00 0.00 H new ATOM 514 N ARG A 40 -0.728 4.208 1.054 1.00 0.00 N ATOM 515 CA ARG A 40 -0.603 5.645 0.875 1.00 0.00 C ATOM 516 C ARG A 40 0.522 5.991 -0.099 1.00 0.00 C ATOM 517 O ARG A 40 0.696 7.151 -0.473 1.00 0.00 O ATOM 518 CB ARG A 40 -0.362 6.332 2.220 1.00 0.00 C ATOM 519 CG ARG A 40 -1.643 6.688 2.958 1.00 0.00 C ATOM 520 CD ARG A 40 -1.948 8.175 2.863 1.00 0.00 C ATOM 521 NE ARG A 40 -3.366 8.429 2.616 1.00 0.00 N ATOM 522 CZ ARG A 40 -3.871 9.636 2.371 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.079 10.701 2.342 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.172 9.778 2.156 1.00 0.00 N ATOM 0 H ARG A 40 -0.412 3.866 1.962 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.540 6.008 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.241 5.678 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.218 7.240 2.056 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.474 6.118 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.552 6.401 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.648 8.666 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.356 8.616 2.061 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.006 7.635 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.078 10.597 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.471 11.623 2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.785 8.963 2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.560 10.702 1.968 1.00 0.00 H new ATOM 538 N HIS A 41 1.282 4.981 -0.506 1.00 0.00 N ATOM 539 CA HIS A 41 2.388 5.180 -1.436 1.00 0.00 C ATOM 540 C HIS A 41 1.976 4.822 -2.858 1.00 0.00 C ATOM 541 O HIS A 41 2.496 5.382 -3.824 1.00 0.00 O ATOM 542 CB HIS A 41 3.592 4.340 -1.017 1.00 0.00 C ATOM 543 CG HIS A 41 4.285 4.865 0.198 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.225 5.867 0.152 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.162 4.527 1.501 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.652 6.121 1.374 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.018 5.326 2.215 1.00 0.00 N ATOM 0 H HIS A 41 1.153 4.015 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 41 2.663 6.235 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.265 3.318 -0.827 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.302 4.299 -1.843 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.542 6.340 -0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.510 3.767 1.905 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.396 6.857 1.641 1.00 0.00 H new ATOM 556 N LEU A 42 1.038 3.889 -2.983 1.00 0.00 N ATOM 557 CA LEU A 42 0.554 3.461 -4.276 1.00 0.00 C ATOM 558 C LEU A 42 -0.049 4.622 -5.037 1.00 0.00 C ATOM 559 O LEU A 42 -0.868 5.371 -4.504 1.00 0.00 O ATOM 560 CB LEU A 42 -0.515 2.394 -4.083 1.00 0.00 C ATOM 561 CG LEU A 42 -0.074 0.945 -4.281 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.285 0.105 -4.631 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.975 0.834 -5.378 1.00 0.00 C ATOM 0 H LEU A 42 0.599 3.416 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 42 1.394 3.063 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.918 2.493 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.332 2.600 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 42 0.375 0.584 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.980 -0.932 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.013 0.160 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.735 0.481 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.269 -0.209 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.560 1.202 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.848 1.429 -5.109 1.00 0.00 H new ATOM 575 N SER A 43 0.326 4.744 -6.301 1.00 0.00 N ATOM 576 CA SER A 43 -0.226 5.787 -7.134 1.00 0.00 C ATOM 577 C SER A 43 -1.678 5.471 -7.412 1.00 0.00 C ATOM 578 O SER A 43 -2.122 4.336 -7.237 1.00 0.00 O ATOM 579 CB SER A 43 0.531 5.914 -8.446 1.00 0.00 C ATOM 580 OG SER A 43 1.009 7.233 -8.640 1.00 0.00 O ATOM 0 H SER A 43 1.003 4.138 -6.764 1.00 0.00 H new ATOM 0 HA SER A 43 -0.136 6.737 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.369 5.217 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.122 5.636 -9.273 1.00 0.00 H new ATOM 0 HG SER A 43 1.493 7.284 -9.491 1.00 0.00 H new ATOM 586 N ALA A 44 -2.415 6.467 -7.844 1.00 0.00 N ATOM 587 CA ALA A 44 -3.820 6.277 -8.147 1.00 0.00 C ATOM 588 C ALA A 44 -3.993 5.235 -9.239 1.00 0.00 C ATOM 589 O ALA A 44 -4.960 4.471 -9.243 1.00 0.00 O ATOM 590 CB ALA A 44 -4.456 7.592 -8.562 1.00 0.00 C ATOM 0 H ALA A 44 -2.070 7.415 -7.994 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.321 5.920 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.511 7.431 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.363 8.313 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.951 7.976 -9.448 1.00 0.00 H new ATOM 596 N GLU A 45 -3.035 5.203 -10.154 1.00 0.00 N ATOM 597 CA GLU A 45 -3.052 4.262 -11.241 1.00 0.00 C ATOM 598 C GLU A 45 -2.703 2.874 -10.732 1.00 0.00 C ATOM 599 O GLU A 45 -3.013 1.872 -11.377 1.00 0.00 O ATOM 600 CB GLU A 45 -2.065 4.684 -12.330 1.00 0.00 C ATOM 601 CG GLU A 45 -2.469 5.957 -13.058 1.00 0.00 C ATOM 602 CD GLU A 45 -2.133 7.208 -12.272 1.00 0.00 C ATOM 603 OE1 GLU A 45 -2.983 7.655 -11.474 1.00 0.00 O ATOM 604 OE2 GLU A 45 -1.018 7.742 -12.454 1.00 0.00 O ATOM 0 H GLU A 45 -2.231 5.830 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.054 4.243 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.082 4.828 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.969 3.876 -13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.967 5.994 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.541 5.934 -13.256 1.00 0.00 H new ATOM 611 N ASP A 46 -2.053 2.816 -9.569 1.00 0.00 N ATOM 612 CA ASP A 46 -1.675 1.549 -8.998 1.00 0.00 C ATOM 613 C ASP A 46 -2.716 1.051 -8.022 1.00 0.00 C ATOM 614 O ASP A 46 -3.083 -0.113 -8.062 1.00 0.00 O ATOM 615 CB ASP A 46 -0.314 1.617 -8.305 1.00 0.00 C ATOM 616 CG ASP A 46 0.835 1.734 -9.289 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.956 2.795 -9.937 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.613 0.765 -9.411 1.00 0.00 O ATOM 0 H ASP A 46 -1.785 3.631 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.603 0.846 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.297 2.471 -7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.176 0.724 -7.695 1.00 0.00 H new ATOM 623 N PHE A 47 -3.209 1.921 -7.148 1.00 0.00 N ATOM 624 CA PHE A 47 -4.219 1.500 -6.196 1.00 0.00 C ATOM 625 C PHE A 47 -5.419 0.962 -6.942 1.00 0.00 C ATOM 626 O PHE A 47 -5.833 -0.184 -6.767 1.00 0.00 O ATOM 627 CB PHE A 47 -4.636 2.656 -5.294 1.00 0.00 C ATOM 628 CG PHE A 47 -5.726 2.278 -4.342 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.031 2.144 -4.786 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.446 2.044 -3.009 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.034 1.784 -3.917 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.447 1.684 -2.134 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.745 1.552 -2.591 1.00 0.00 C ATOM 0 H PHE A 47 -2.931 2.900 -7.081 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.800 0.717 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.770 3.003 -4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.970 3.491 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.263 2.324 -5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.432 2.144 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.048 1.683 -4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.218 1.505 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.532 1.267 -1.908 1.00 0.00 H new ATOM 643 N SER A 48 -5.958 1.816 -7.777 1.00 0.00 N ATOM 644 CA SER A 48 -7.118 1.484 -8.592 1.00 0.00 C ATOM 645 C SER A 48 -6.900 0.199 -9.376 1.00 0.00 C ATOM 646 O SER A 48 -7.844 -0.539 -9.658 1.00 0.00 O ATOM 647 CB SER A 48 -7.447 2.632 -9.547 1.00 0.00 C ATOM 648 OG SER A 48 -6.627 2.587 -10.702 1.00 0.00 O ATOM 0 H SER A 48 -5.610 2.765 -7.916 1.00 0.00 H new ATOM 0 HA SER A 48 -7.960 1.328 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.496 2.576 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.309 3.585 -9.036 1.00 0.00 H new ATOM 0 HG SER A 48 -5.862 3.188 -10.584 1.00 0.00 H new ATOM 654 N ARG A 49 -5.652 -0.062 -9.724 1.00 0.00 N ATOM 655 CA ARG A 49 -5.307 -1.253 -10.473 1.00 0.00 C ATOM 656 C ARG A 49 -4.880 -2.391 -9.553 1.00 0.00 C ATOM 657 O ARG A 49 -4.868 -3.559 -9.945 1.00 0.00 O ATOM 658 CB ARG A 49 -4.198 -0.947 -11.481 1.00 0.00 C ATOM 659 CG ARG A 49 -4.667 -0.121 -12.667 1.00 0.00 C ATOM 660 CD ARG A 49 -3.677 -0.181 -13.818 1.00 0.00 C ATOM 661 NE ARG A 49 -3.529 1.113 -14.480 1.00 0.00 N ATOM 662 CZ ARG A 49 -3.082 1.265 -15.725 1.00 0.00 C ATOM 663 NH1 ARG A 49 -2.725 0.207 -16.444 1.00 0.00 N ATOM 664 NH2 ARG A 49 -2.988 2.478 -16.251 1.00 0.00 N ATOM 0 H ARG A 49 -4.859 0.539 -9.498 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.200 -1.574 -11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.393 -0.415 -10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.780 -1.885 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.638 -0.484 -13.003 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.804 0.915 -12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.707 -0.511 -13.445 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.009 -0.924 -14.544 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.784 1.951 -13.957 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.793 -0.728 -16.043 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.383 0.330 -17.397 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.258 3.294 -15.702 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.646 2.595 -17.205 1.00 0.00 H new ATOM 678 N VAL A 50 -4.509 -2.030 -8.339 1.00 0.00 N ATOM 679 CA VAL A 50 -4.050 -2.977 -7.347 1.00 0.00 C ATOM 680 C VAL A 50 -5.201 -3.569 -6.545 1.00 0.00 C ATOM 681 O VAL A 50 -5.259 -4.778 -6.320 1.00 0.00 O ATOM 682 CB VAL A 50 -3.056 -2.294 -6.388 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.939 -3.010 -5.052 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.700 -2.202 -7.048 1.00 0.00 C ATOM 0 H VAL A 50 -4.519 -1.063 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.558 -3.792 -7.879 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.441 -1.296 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.225 -2.484 -4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.913 -3.029 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.595 -4.031 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.997 -1.719 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.343 -3.204 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.780 -1.617 -7.964 1.00 0.00 H new ATOM 694 N PHE A 51 -6.100 -2.707 -6.093 1.00 0.00 N ATOM 695 CA PHE A 51 -7.227 -3.142 -5.291 1.00 0.00 C ATOM 696 C PHE A 51 -8.530 -3.101 -6.086 1.00 0.00 C ATOM 697 O PHE A 51 -9.594 -3.440 -5.571 1.00 0.00 O ATOM 698 CB PHE A 51 -7.331 -2.270 -4.042 1.00 0.00 C ATOM 699 CG PHE A 51 -6.041 -2.196 -3.274 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.632 -3.260 -2.489 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.236 -1.067 -3.339 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.446 -3.203 -1.783 1.00 0.00 C ATOM 703 CE2 PHE A 51 -4.048 -1.005 -2.634 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.651 -2.075 -1.856 1.00 0.00 C ATOM 0 H PHE A 51 -6.068 -1.703 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.061 -4.178 -4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.635 -1.264 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.113 -2.665 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.247 -4.145 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.541 -0.228 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.140 -4.040 -1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.431 -0.120 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.722 -2.030 -1.307 1.00 0.00 H new ATOM 714 N ALA A 52 -8.433 -2.707 -7.349 1.00 0.00 N ATOM 715 CA ALA A 52 -9.587 -2.644 -8.222 1.00 0.00 C ATOM 716 C ALA A 52 -10.671 -1.721 -7.677 1.00 0.00 C ATOM 717 O ALA A 52 -11.863 -1.994 -7.823 1.00 0.00 O ATOM 718 CB ALA A 52 -10.111 -4.044 -8.432 1.00 0.00 C ATOM 0 H ALA A 52 -7.558 -2.425 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.283 -2.218 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.981 -4.012 -9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.335 -4.658 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.396 -4.474 -7.472 1.00 0.00 H new ATOM 724 N MET A 53 -10.252 -0.612 -7.076 1.00 0.00 N ATOM 725 CA MET A 53 -11.182 0.367 -6.544 1.00 0.00 C ATOM 726 C MET A 53 -10.500 1.725 -6.430 1.00 0.00 C ATOM 727 O MET A 53 -9.276 1.810 -6.470 1.00 0.00 O ATOM 728 CB MET A 53 -11.766 -0.087 -5.200 1.00 0.00 C ATOM 729 CG MET A 53 -10.868 0.161 -4.002 1.00 0.00 C ATOM 730 SD MET A 53 -11.369 -0.798 -2.563 1.00 0.00 S ATOM 731 CE MET A 53 -10.933 -2.443 -3.107 1.00 0.00 C ATOM 0 H MET A 53 -9.269 -0.372 -6.947 1.00 0.00 H new ATOM 0 HA MET A 53 -12.019 0.461 -7.235 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.714 0.427 -5.039 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.987 -1.153 -5.257 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.840 -0.090 -4.263 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.884 1.222 -3.752 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.229 -3.168 -2.348 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.448 -2.665 -4.042 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.856 -2.501 -3.263 1.00 0.00 H new ATOM 741 N SER A 54 -11.283 2.788 -6.310 1.00 0.00 N ATOM 742 CA SER A 54 -10.722 4.124 -6.220 1.00 0.00 C ATOM 743 C SER A 54 -9.875 4.278 -4.971 1.00 0.00 C ATOM 744 O SER A 54 -10.087 3.600 -3.970 1.00 0.00 O ATOM 745 CB SER A 54 -11.834 5.172 -6.239 1.00 0.00 C ATOM 746 OG SER A 54 -13.031 4.658 -5.682 1.00 0.00 O ATOM 0 H SER A 54 -12.302 2.750 -6.273 1.00 0.00 H new ATOM 0 HA SER A 54 -10.079 4.278 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.518 6.052 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.016 5.495 -7.264 1.00 0.00 H new ATOM 0 HG SER A 54 -13.726 5.349 -5.705 1.00 0.00 H new ATOM 752 N PRO A 55 -8.902 5.191 -5.010 1.00 0.00 N ATOM 753 CA PRO A 55 -8.033 5.442 -3.866 1.00 0.00 C ATOM 754 C PRO A 55 -8.870 5.865 -2.673 1.00 0.00 C ATOM 755 O PRO A 55 -8.619 5.488 -1.523 1.00 0.00 O ATOM 756 CB PRO A 55 -7.119 6.572 -4.355 1.00 0.00 C ATOM 757 CG PRO A 55 -7.189 6.489 -5.844 1.00 0.00 C ATOM 758 CD PRO A 55 -8.586 6.060 -6.151 1.00 0.00 C ATOM 0 HA PRO A 55 -7.464 4.572 -3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.460 7.543 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.098 6.440 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.964 7.452 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.464 5.774 -6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.267 6.908 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.649 5.526 -7.099 1.00 0.00 H new ATOM 766 N GLU A 56 -9.900 6.625 -2.986 1.00 0.00 N ATOM 767 CA GLU A 56 -10.841 7.101 -2.018 1.00 0.00 C ATOM 768 C GLU A 56 -11.639 5.941 -1.460 1.00 0.00 C ATOM 769 O GLU A 56 -11.913 5.880 -0.262 1.00 0.00 O ATOM 770 CB GLU A 56 -11.787 8.096 -2.670 1.00 0.00 C ATOM 771 CG GLU A 56 -12.249 7.708 -4.065 1.00 0.00 C ATOM 772 CD GLU A 56 -13.397 8.565 -4.559 1.00 0.00 C ATOM 773 OE1 GLU A 56 -13.132 9.667 -5.086 1.00 0.00 O ATOM 774 OE2 GLU A 56 -14.562 8.137 -4.417 1.00 0.00 O ATOM 0 H GLU A 56 -10.101 6.929 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.300 7.589 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.662 8.217 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.294 9.067 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.412 7.794 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.556 6.662 -4.064 1.00 0.00 H new ATOM 781 N GLU A 57 -11.997 5.010 -2.343 1.00 0.00 N ATOM 782 CA GLU A 57 -12.746 3.835 -1.954 1.00 0.00 C ATOM 783 C GLU A 57 -12.151 3.267 -0.680 1.00 0.00 C ATOM 784 O GLU A 57 -12.857 2.820 0.220 1.00 0.00 O ATOM 785 CB GLU A 57 -12.724 2.803 -3.077 1.00 0.00 C ATOM 786 CG GLU A 57 -13.989 2.789 -3.919 1.00 0.00 C ATOM 787 CD GLU A 57 -14.964 1.711 -3.489 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.112 1.496 -2.268 1.00 0.00 O ATOM 789 OE2 GLU A 57 -15.579 1.079 -4.375 1.00 0.00 O ATOM 0 H GLU A 57 -11.774 5.055 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.786 4.104 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.870 3.002 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.574 1.813 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.476 3.762 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.723 2.637 -4.965 1.00 0.00 H new ATOM 796 N PHE A 58 -10.841 3.343 -0.623 1.00 0.00 N ATOM 797 CA PHE A 58 -10.079 2.895 0.527 1.00 0.00 C ATOM 798 C PHE A 58 -10.290 3.847 1.690 1.00 0.00 C ATOM 799 O PHE A 58 -10.564 3.427 2.814 1.00 0.00 O ATOM 800 CB PHE A 58 -8.591 2.824 0.192 1.00 0.00 C ATOM 801 CG PHE A 58 -7.955 1.529 0.596 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.539 0.327 0.250 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.780 1.513 1.326 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.966 -0.868 0.622 1.00 0.00 C ATOM 805 CE2 PHE A 58 -6.203 0.322 1.702 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.797 -0.869 1.350 1.00 0.00 C ATOM 0 H PHE A 58 -10.267 3.720 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.426 1.899 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.460 2.966 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.074 3.645 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.457 0.324 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.311 2.445 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.432 -1.802 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.286 0.321 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.346 -1.805 1.645 1.00 0.00 H new ATOM 816 N GLY A 59 -10.162 5.141 1.405 1.00 0.00 N ATOM 817 CA GLY A 59 -10.347 6.141 2.438 1.00 0.00 C ATOM 818 C GLY A 59 -11.689 6.012 3.135 1.00 0.00 C ATOM 819 O GLY A 59 -11.866 6.496 4.252 1.00 0.00 O ATOM 0 H GLY A 59 -9.935 5.511 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.548 6.051 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.264 7.134 1.997 1.00 0.00 H new ATOM 823 N LYS A 60 -12.642 5.365 2.466 1.00 0.00 N ATOM 824 CA LYS A 60 -13.970 5.183 3.016 1.00 0.00 C ATOM 825 C LYS A 60 -14.135 3.821 3.679 1.00 0.00 C ATOM 826 O LYS A 60 -14.914 3.665 4.618 1.00 0.00 O ATOM 827 CB LYS A 60 -15.028 5.369 1.926 1.00 0.00 C ATOM 828 CG LYS A 60 -15.321 6.825 1.605 1.00 0.00 C ATOM 829 CD LYS A 60 -15.952 6.977 0.230 1.00 0.00 C ATOM 830 CE LYS A 60 -14.898 7.133 -0.854 1.00 0.00 C ATOM 831 NZ LYS A 60 -15.232 6.345 -2.071 1.00 0.00 N ATOM 0 H LYS A 60 -12.511 4.959 1.539 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.107 5.942 3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.695 4.865 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.951 4.882 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.989 7.238 2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.397 7.401 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.571 6.106 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.611 7.845 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.803 8.186 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.930 6.812 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.395 6.283 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.530 5.388 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.005 6.813 -2.586 1.00 0.00 H new ATOM 845 N LEU A 61 -13.401 2.843 3.179 1.00 0.00 N ATOM 846 CA LEU A 61 -13.457 1.485 3.706 1.00 0.00 C ATOM 847 C LEU A 61 -13.202 1.454 5.209 1.00 0.00 C ATOM 848 O LEU A 61 -13.112 2.494 5.860 1.00 0.00 O ATOM 849 CB LEU A 61 -12.424 0.610 3.002 1.00 0.00 C ATOM 850 CG LEU A 61 -12.799 0.154 1.595 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.557 -0.284 0.840 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.822 -0.971 1.651 1.00 0.00 C ATOM 0 H LEU A 61 -12.752 2.963 2.401 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.460 1.101 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.484 1.159 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.243 -0.273 3.615 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.249 0.993 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.836 -0.607 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.860 0.551 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.082 -1.110 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.076 -1.282 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.403 -1.817 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.720 -0.621 2.159 1.00 0.00 H new ATOM 864 N ALA A 62 -13.070 0.244 5.746 1.00 0.00 N ATOM 865 CA ALA A 62 -12.805 0.054 7.162 1.00 0.00 C ATOM 866 C ALA A 62 -11.327 -0.225 7.376 1.00 0.00 C ATOM 867 O ALA A 62 -10.526 -0.085 6.454 1.00 0.00 O ATOM 868 CB ALA A 62 -13.645 -1.093 7.706 1.00 0.00 C ATOM 0 H ALA A 62 -13.144 -0.623 5.214 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.074 0.963 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.437 -1.225 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.702 -0.867 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.398 -2.010 7.171 1.00 0.00 H new ATOM 874 N LEU A 63 -10.970 -0.634 8.582 1.00 0.00 N ATOM 875 CA LEU A 63 -9.583 -0.948 8.887 1.00 0.00 C ATOM 876 C LEU A 63 -9.299 -2.416 8.605 1.00 0.00 C ATOM 877 O LEU A 63 -8.161 -2.815 8.353 1.00 0.00 O ATOM 878 CB LEU A 63 -9.263 -0.613 10.347 1.00 0.00 C ATOM 879 CG LEU A 63 -8.195 0.463 10.545 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.920 0.090 9.803 1.00 0.00 C ATOM 881 CD2 LEU A 63 -8.710 1.816 10.078 1.00 0.00 C ATOM 0 H LEU A 63 -11.616 -0.756 9.362 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.943 -0.340 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.180 -0.288 10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.937 -1.524 10.850 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.966 0.531 11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.170 0.867 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.542 -0.859 10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.133 -0.006 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.937 2.570 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.967 1.762 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.596 2.086 10.653 1.00 0.00 H new ATOM 893 N TRP A 64 -10.354 -3.209 8.653 1.00 0.00 N ATOM 894 CA TRP A 64 -10.266 -4.629 8.417 1.00 0.00 C ATOM 895 C TRP A 64 -10.255 -4.944 6.928 1.00 0.00 C ATOM 896 O TRP A 64 -9.335 -5.596 6.435 1.00 0.00 O ATOM 897 CB TRP A 64 -11.427 -5.344 9.108 1.00 0.00 C ATOM 898 CG TRP A 64 -12.770 -4.757 8.784 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.366 -3.677 9.369 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.686 -5.225 7.793 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.596 -3.451 8.795 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.813 -4.390 7.833 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.657 -6.268 6.878 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.905 -4.570 6.994 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.741 -6.451 6.040 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.853 -5.603 6.106 1.00 0.00 C ATOM 0 H TRP A 64 -11.297 -2.880 8.858 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.326 -4.987 8.836 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.420 -6.395 8.819 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.275 -5.309 10.187 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.936 -3.087 10.165 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -15.240 -2.702 9.049 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.802 -6.926 6.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.763 -3.916 7.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.730 -7.260 5.324 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.686 -5.771 5.440 1.00 0.00 H new ATOM 917 N LYS A 65 -11.270 -4.475 6.208 1.00 0.00 N ATOM 918 CA LYS A 65 -11.339 -4.715 4.778 1.00 0.00 C ATOM 919 C LYS A 65 -10.087 -4.166 4.120 1.00 0.00 C ATOM 920 O LYS A 65 -9.480 -4.812 3.267 1.00 0.00 O ATOM 921 CB LYS A 65 -12.603 -4.095 4.168 1.00 0.00 C ATOM 922 CG LYS A 65 -12.934 -2.703 4.670 1.00 0.00 C ATOM 923 CD LYS A 65 -14.441 -2.499 4.817 1.00 0.00 C ATOM 924 CE LYS A 65 -15.223 -3.132 3.673 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.334 -2.257 3.210 1.00 0.00 N ATOM 0 H LYS A 65 -12.046 -3.933 6.589 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.395 -5.789 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.486 -4.057 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.449 -4.751 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.449 -2.538 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.532 -1.962 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.773 -2.928 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.659 -1.432 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.549 -3.334 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.627 -4.091 3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.245 -2.720 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.293 -1.348 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.242 -2.091 2.188 1.00 0.00 H new ATOM 939 N ARG A 66 -9.681 -2.983 4.563 1.00 0.00 N ATOM 940 CA ARG A 66 -8.479 -2.355 4.068 1.00 0.00 C ATOM 941 C ARG A 66 -7.288 -3.268 4.319 1.00 0.00 C ATOM 942 O ARG A 66 -6.428 -3.439 3.455 1.00 0.00 O ATOM 943 CB ARG A 66 -8.274 -1.024 4.780 1.00 0.00 C ATOM 944 CG ARG A 66 -8.728 0.178 3.968 1.00 0.00 C ATOM 945 CD ARG A 66 -7.885 1.410 4.261 1.00 0.00 C ATOM 946 NE ARG A 66 -6.473 1.078 4.426 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.568 1.915 4.931 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.919 3.143 5.292 1.00 0.00 N ATOM 949 NH2 ARG A 66 -4.312 1.521 5.077 1.00 0.00 N ATOM 0 H ARG A 66 -10.177 -2.441 5.271 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.572 -2.178 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.817 -1.040 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.217 -0.910 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.669 -0.058 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.774 0.392 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.996 2.128 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.252 1.894 5.166 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.161 0.151 4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.886 3.450 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.222 3.780 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.038 0.577 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.618 2.161 5.464 1.00 0.00 H new ATOM 963 N ASN A 67 -7.253 -3.865 5.512 1.00 0.00 N ATOM 964 CA ASN A 67 -6.187 -4.766 5.876 1.00 0.00 C ATOM 965 C ASN A 67 -6.207 -6.001 4.982 1.00 0.00 C ATOM 966 O ASN A 67 -5.176 -6.400 4.440 1.00 0.00 O ATOM 967 CB ASN A 67 -6.342 -5.168 7.340 1.00 0.00 C ATOM 968 CG ASN A 67 -5.438 -4.370 8.259 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.340 -3.970 7.875 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.899 -4.134 9.482 1.00 0.00 N ATOM 0 H ASN A 67 -7.959 -3.732 6.236 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.230 -4.263 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.379 -5.028 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.119 -6.229 7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.336 -3.602 10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.816 -4.485 9.758 1.00 0.00 H new ATOM 977 N GLU A 68 -7.386 -6.605 4.832 1.00 0.00 N ATOM 978 CA GLU A 68 -7.530 -7.794 4.007 1.00 0.00 C ATOM 979 C GLU A 68 -7.199 -7.504 2.550 1.00 0.00 C ATOM 980 O GLU A 68 -6.855 -8.405 1.787 1.00 0.00 O ATOM 981 CB GLU A 68 -8.949 -8.354 4.122 1.00 0.00 C ATOM 982 CG GLU A 68 -9.307 -8.821 5.523 1.00 0.00 C ATOM 983 CD GLU A 68 -10.223 -10.030 5.519 1.00 0.00 C ATOM 984 OE1 GLU A 68 -11.393 -9.885 5.108 1.00 0.00 O ATOM 985 OE2 GLU A 68 -9.770 -11.120 5.926 1.00 0.00 O ATOM 0 H GLU A 68 -8.250 -6.288 5.272 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.822 -8.538 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.659 -7.588 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.058 -9.190 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.393 -9.064 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.790 -8.006 6.061 1.00 0.00 H new ATOM 992 N LEU A 69 -7.310 -6.242 2.178 1.00 0.00 N ATOM 993 CA LEU A 69 -7.031 -5.812 0.813 1.00 0.00 C ATOM 994 C LEU A 69 -5.559 -5.480 0.626 1.00 0.00 C ATOM 995 O LEU A 69 -4.898 -6.007 -0.268 1.00 0.00 O ATOM 996 CB LEU A 69 -7.882 -4.590 0.472 1.00 0.00 C ATOM 997 CG LEU A 69 -9.365 -4.884 0.285 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.154 -3.594 0.130 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.565 -5.791 -0.917 1.00 0.00 C ATOM 0 H LEU A 69 -7.593 -5.489 2.805 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.281 -6.634 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.768 -3.851 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.496 -4.138 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.737 -5.396 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.210 -3.827 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.027 -2.980 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.791 -3.048 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.628 -5.997 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.181 -5.300 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.030 -6.728 -0.759 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.057 -4.594 1.470 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.670 -4.172 1.407 1.00 0.00 C ATOM 1013 C LYS A 70 -2.731 -5.372 1.378 1.00 0.00 C ATOM 1014 O LYS A 70 -1.648 -5.309 0.795 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.374 -3.239 2.589 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.589 -3.873 3.728 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.949 -3.247 5.066 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.973 -2.145 5.445 1.00 0.00 C ATOM 1019 NZ LYS A 70 -2.574 -1.180 6.406 1.00 0.00 N ATOM 0 H LYS A 70 -5.596 -4.150 2.213 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.499 -3.624 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.819 -2.376 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.319 -2.865 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.791 -4.944 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.521 -3.756 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.959 -2.840 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.951 -4.015 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.079 -2.587 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.657 -1.614 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.923 -0.381 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.476 -0.828 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.743 -1.655 7.315 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.158 -6.468 1.989 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.354 -7.675 2.003 1.00 0.00 C ATOM 1035 C LYS A 71 -2.406 -8.354 0.651 1.00 0.00 C ATOM 1036 O LYS A 71 -1.443 -8.989 0.223 1.00 0.00 O ATOM 1037 CB LYS A 71 -2.811 -8.633 3.101 1.00 0.00 C ATOM 1038 CG LYS A 71 -4.276 -9.004 2.993 1.00 0.00 C ATOM 1039 CD LYS A 71 -4.667 -10.050 4.023 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.768 -9.449 5.416 1.00 0.00 C ATOM 1041 NZ LYS A 71 -5.736 -10.190 6.271 1.00 0.00 N ATOM 0 H LYS A 71 -4.050 -6.544 2.477 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.323 -7.392 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.208 -9.540 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.629 -8.175 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.888 -8.113 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.483 -9.383 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.623 -10.494 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.931 -10.854 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.785 -9.459 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.075 -8.406 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.891 -9.665 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.639 -10.291 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.355 -11.132 6.491 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.521 -8.184 -0.035 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.679 -8.743 -1.355 1.00 0.00 C ATOM 1057 C LYS A 72 -2.685 -8.085 -2.292 1.00 0.00 C ATOM 1058 O LYS A 72 -2.219 -8.683 -3.261 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.109 -8.551 -1.859 1.00 0.00 C ATOM 1060 CG LYS A 72 -5.906 -9.844 -1.913 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.140 -9.787 -1.025 1.00 0.00 C ATOM 1062 CE LYS A 72 -8.037 -8.614 -1.385 1.00 0.00 C ATOM 1063 NZ LYS A 72 -8.774 -8.848 -2.658 1.00 0.00 N ATOM 0 H LYS A 72 -4.329 -7.662 0.305 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.486 -9.815 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.623 -7.842 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.080 -8.109 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.208 -10.042 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.272 -10.674 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.701 -10.717 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.834 -9.705 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.750 -8.442 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.434 -7.710 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.374 -8.025 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.094 -8.987 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.369 -9.696 -2.564 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.357 -6.844 -1.965 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.410 -6.070 -2.728 1.00 0.00 C ATOM 1079 C ALA A 73 -0.001 -6.210 -2.152 1.00 0.00 C ATOM 1080 O ALA A 73 0.962 -5.702 -2.724 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.838 -4.614 -2.749 1.00 0.00 C ATOM 0 H ALA A 73 -2.745 -6.351 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.390 -6.449 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.120 -4.032 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.824 -4.531 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.878 -4.232 -1.729 1.00 0.00 H new ATOM 1087 N SER A 74 0.117 -6.895 -1.009 1.00 0.00 N ATOM 1088 CA SER A 74 1.411 -7.087 -0.361 1.00 0.00 C ATOM 1089 C SER A 74 1.871 -5.801 0.316 1.00 0.00 C ATOM 1090 O SER A 74 3.028 -5.678 0.716 1.00 0.00 O ATOM 1091 CB SER A 74 2.462 -7.551 -1.373 1.00 0.00 C ATOM 1092 OG SER A 74 1.920 -8.504 -2.272 1.00 0.00 O ATOM 0 H SER A 74 -0.668 -7.323 -0.518 1.00 0.00 H new ATOM 0 HA SER A 74 1.294 -7.860 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.838 -6.693 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.311 -7.986 -0.846 1.00 0.00 H new ATOM 0 HG SER A 74 2.611 -8.783 -2.909 1.00 0.00 H new ATOM 1098 N LEU A 75 0.955 -4.846 0.443 1.00 0.00 N ATOM 1099 CA LEU A 75 1.262 -3.573 1.074 1.00 0.00 C ATOM 1100 C LEU A 75 1.191 -3.691 2.594 1.00 0.00 C ATOM 1101 O LEU A 75 1.777 -2.884 3.314 1.00 0.00 O ATOM 1102 CB LEU A 75 0.300 -2.492 0.566 1.00 0.00 C ATOM 1103 CG LEU A 75 0.285 -2.307 -0.953 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.303 -0.959 -1.335 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.686 -2.457 -1.514 1.00 0.00 C ATOM 0 H LEU A 75 -0.007 -4.933 0.116 1.00 0.00 H new ATOM 0 HA LEU A 75 2.280 -3.287 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.709 -2.739 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.565 -1.542 1.031 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.349 -3.082 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.301 -0.855 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.326 -0.891 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.296 -0.162 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.661 -2.323 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.338 -1.705 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.067 -3.451 -1.280 1.00 0.00 H new ATOM 1117 N PHE A 76 0.477 -4.707 3.077 1.00 0.00 N ATOM 1118 CA PHE A 76 0.343 -4.930 4.512 1.00 0.00 C ATOM 1119 C PHE A 76 1.712 -5.041 5.178 1.00 0.00 C ATOM 1120 O PHE A 76 1.977 -4.262 6.117 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.471 -6.197 4.781 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.195 -6.178 6.099 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.520 -5.889 7.274 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.552 -6.452 6.162 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.185 -5.872 8.486 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.222 -6.437 7.370 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.537 -6.147 8.533 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.506 -5.908 4.756 1.00 0.00 O ATOM 0 H PHE A 76 -0.015 -5.386 2.496 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.180 -4.074 4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.197 -6.330 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.195 -7.059 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.538 -5.674 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.093 -6.680 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.648 -5.644 9.395 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.280 -6.652 7.405 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.058 -6.135 9.479 1.00 0.00 H new TER 1138 PHE A 76