USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 691 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 Single : A 1 MET CE :methyl -116:sc= 0 (180deg=-0.137) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.189 (180deg=-0.807) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 12 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -2.6! C(o=-3.6!,f=-2.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 26 CYS SG : rot 16:sc= -0.487 USER MOD Single : A 29 SER OG : rot 180:sc= -0.142 USER MOD Single : A 32 SER OG : rot 20:sc= 0.246 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.4!) USER MOD Single : A 50 MET CE :methyl 165:sc= -1.06 (180deg=-1.63!) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.63 F(o=-5.1!,f=-1.6) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.0407 X(o=-0.041,f=-0.087) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 66 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-8.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0976 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.46) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.968! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -159:sc= 1.01 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= -0.0721 (180deg=-0.51) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.030 -11.934 19.180 1.00 0.00 N ATOM 2 CA MET A 1 51.665 -11.397 17.942 1.00 0.00 C ATOM 3 C MET A 1 53.008 -10.766 18.297 1.00 0.00 C ATOM 4 O MET A 1 53.129 -10.069 19.305 1.00 0.00 O ATOM 5 CB MET A 1 50.747 -10.345 17.314 1.00 0.00 C ATOM 6 CG MET A 1 50.181 -9.440 18.410 1.00 0.00 C ATOM 7 SD MET A 1 49.209 -8.109 17.657 1.00 0.00 S ATOM 8 CE MET A 1 50.587 -7.017 17.218 1.00 0.00 C ATOM 0 H1 MET A 1 50.004 -12.020 19.035 1.00 0.00 H new ATOM 0 H2 MET A 1 51.428 -12.870 19.397 1.00 0.00 H new ATOM 0 H3 MET A 1 51.214 -11.287 19.973 1.00 0.00 H new ATOM 0 HA MET A 1 51.824 -12.206 17.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.301 -9.751 16.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.935 -10.832 16.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.557 -10.021 19.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.993 -9.020 19.004 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.506 -6.085 17.778 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.530 -7.506 17.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 50.555 -6.802 16.150 1.00 0.00 H new ATOM 20 N ALA A 2 54.012 -11.013 17.460 1.00 0.00 N ATOM 21 CA ALA A 2 55.344 -10.464 17.693 1.00 0.00 C ATOM 22 C ALA A 2 56.264 -10.785 16.519 1.00 0.00 C ATOM 23 O ALA A 2 57.112 -11.673 16.610 1.00 0.00 O ATOM 24 CB ALA A 2 55.932 -11.052 18.976 1.00 0.00 C ATOM 0 H ALA A 2 53.930 -11.586 16.620 1.00 0.00 H new ATOM 0 HA ALA A 2 55.261 -9.382 17.793 1.00 0.00 H new ATOM 0 HB1 ALA A 2 56.926 -10.638 19.144 1.00 0.00 H new ATOM 0 HB2 ALA A 2 55.288 -10.802 19.819 1.00 0.00 H new ATOM 0 HB3 ALA A 2 56.002 -12.136 18.881 1.00 0.00 H new ATOM 30 N PRO A 3 56.111 -10.086 15.425 1.00 0.00 N ATOM 31 CA PRO A 3 56.944 -10.307 14.210 1.00 0.00 C ATOM 32 C PRO A 3 58.397 -9.882 14.431 1.00 0.00 C ATOM 33 O PRO A 3 58.673 -8.936 15.169 1.00 0.00 O ATOM 34 CB PRO A 3 56.247 -9.484 13.098 1.00 0.00 C ATOM 35 CG PRO A 3 55.006 -8.883 13.716 1.00 0.00 C ATOM 36 CD PRO A 3 55.143 -9.001 15.237 1.00 0.00 C ATOM 0 HA PRO A 3 57.009 -11.362 13.943 1.00 0.00 H new ATOM 0 HB2 PRO A 3 56.909 -8.704 12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 3 55.989 -10.119 12.251 1.00 0.00 H new ATOM 0 HG2 PRO A 3 54.898 -7.839 13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 3 54.114 -9.406 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 3 55.497 -8.070 15.679 1.00 0.00 H new ATOM 0 HD3 PRO A 3 54.187 -9.233 15.707 1.00 0.00 H new ATOM 44 N GLU A 4 59.320 -10.596 13.790 1.00 0.00 N ATOM 45 CA GLU A 4 60.743 -10.292 13.925 1.00 0.00 C ATOM 46 C GLU A 4 61.118 -9.102 13.042 1.00 0.00 C ATOM 47 O GLU A 4 60.598 -8.002 13.219 1.00 0.00 O ATOM 48 CB GLU A 4 61.584 -11.519 13.545 1.00 0.00 C ATOM 49 CG GLU A 4 61.095 -12.117 12.215 1.00 0.00 C ATOM 50 CD GLU A 4 59.877 -13.013 12.436 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.805 -13.638 13.481 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.033 -13.057 11.556 1.00 0.00 O1- ATOM 0 H GLU A 4 59.111 -11.383 13.176 1.00 0.00 H new ATOM 0 HA GLU A 4 60.948 -10.033 14.964 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.633 -11.236 13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.520 -12.269 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.841 -11.315 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.897 -12.694 11.754 1.00 0.00 H new ATOM 59 N VAL A 5 62.016 -9.329 12.086 1.00 0.00 N ATOM 60 CA VAL A 5 62.440 -8.268 11.179 1.00 0.00 C ATOM 61 C VAL A 5 61.446 -8.176 10.029 1.00 0.00 C ATOM 62 O VAL A 5 61.270 -9.144 9.290 1.00 0.00 O ATOM 63 CB VAL A 5 63.837 -8.566 10.585 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.409 -7.280 9.976 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.814 -9.103 11.658 1.00 0.00 C ATOM 0 H VAL A 5 62.461 -10.232 11.921 1.00 0.00 H new ATOM 0 HA VAL A 5 62.484 -7.335 11.741 1.00 0.00 H new ATOM 0 HB VAL A 5 63.723 -9.335 9.821 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.394 -7.483 9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.745 -6.924 9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.495 -6.518 10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.784 -9.300 11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.929 -8.362 12.449 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.418 -10.026 12.081 1.00 0.00 H new ATOM 75 N THR A 6 60.802 -7.025 9.852 1.00 0.00 N ATOM 76 CA THR A 6 59.850 -6.895 8.743 1.00 0.00 C ATOM 77 C THR A 6 60.601 -6.513 7.480 1.00 0.00 C ATOM 78 O THR A 6 61.345 -5.537 7.468 1.00 0.00 O ATOM 79 CB THR A 6 58.786 -5.840 9.049 1.00 0.00 C ATOM 80 OG1 THR A 6 58.119 -6.182 10.255 1.00 0.00 O ATOM 81 CG2 THR A 6 57.764 -5.781 7.910 1.00 0.00 C ATOM 0 H THR A 6 60.912 -6.196 10.435 1.00 0.00 H new ATOM 0 HA THR A 6 59.348 -7.852 8.604 1.00 0.00 H new ATOM 0 HB THR A 6 59.267 -4.867 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.438 -5.507 10.455 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.010 -5.027 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.270 -5.521 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.284 -6.753 7.801 1.00 0.00 H new ATOM 89 N ILE A 7 60.422 -7.293 6.418 1.00 0.00 N ATOM 90 CA ILE A 7 61.113 -7.020 5.158 1.00 0.00 C ATOM 91 C ILE A 7 60.161 -6.412 4.141 1.00 0.00 C ATOM 92 O ILE A 7 59.473 -7.124 3.409 1.00 0.00 O ATOM 93 CB ILE A 7 61.681 -8.315 4.589 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.530 -9.031 5.653 1.00 0.00 C ATOM 95 CG2 ILE A 7 62.539 -8.016 3.354 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.606 -8.088 6.208 1.00 0.00 C ATOM 0 H ILE A 7 59.812 -8.110 6.402 1.00 0.00 H new ATOM 0 HA ILE A 7 61.919 -6.314 5.359 1.00 0.00 H new ATOM 0 HB ILE A 7 60.854 -8.963 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 7 61.890 -9.379 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.000 -9.913 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 62.940 -8.948 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 7 61.927 -7.530 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.361 -7.357 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.197 -8.612 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.257 -7.762 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.129 -7.219 6.662 1.00 0.00 H new ATOM 108 N LEU A 8 60.147 -5.088 4.091 1.00 0.00 N ATOM 109 CA LEU A 8 59.301 -4.353 3.150 1.00 0.00 C ATOM 110 C LEU A 8 60.175 -3.415 2.323 1.00 0.00 C ATOM 111 O LEU A 8 60.266 -2.220 2.606 1.00 0.00 O ATOM 112 CB LEU A 8 58.246 -3.551 3.924 1.00 0.00 C ATOM 113 CG LEU A 8 57.298 -2.829 2.955 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.561 -3.847 2.065 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.280 -2.020 3.769 1.00 0.00 C ATOM 0 H LEU A 8 60.715 -4.493 4.694 1.00 0.00 H new ATOM 0 HA LEU A 8 58.792 -5.051 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 8 57.675 -4.218 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.737 -2.824 4.571 1.00 0.00 H new ATOM 0 HG LEU A 8 57.876 -2.164 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.893 -3.319 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.288 -4.420 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.980 -4.524 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.601 -1.503 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.710 -2.692 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 8 56.805 -1.289 4.385 1.00 0.00 H new ATOM 127 N GLU A 9 60.839 -3.979 1.313 1.00 0.00 N ATOM 128 CA GLU A 9 61.742 -3.214 0.447 1.00 0.00 C ATOM 129 C GLU A 9 61.318 -3.331 -1.024 1.00 0.00 C ATOM 130 O GLU A 9 61.788 -4.217 -1.738 1.00 0.00 O ATOM 131 CB GLU A 9 63.168 -3.762 0.614 1.00 0.00 C ATOM 132 CG GLU A 9 63.109 -5.281 0.807 1.00 0.00 C ATOM 133 CD GLU A 9 64.484 -5.894 0.574 1.00 0.00 C ATOM 134 OE1 GLU A 9 65.124 -6.256 1.548 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.877 -5.994 -0.577 1.00 0.00 O1- ATOM 0 H GLU A 9 60.769 -4.968 1.073 1.00 0.00 H new ATOM 0 HA GLU A 9 61.702 -2.163 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.768 -3.519 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.652 -3.294 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.765 -5.514 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.387 -5.715 0.115 1.00 0.00 H new ATOM 142 N PRO A 10 60.458 -2.458 -1.494 1.00 0.00 N ATOM 143 CA PRO A 10 59.997 -2.488 -2.911 1.00 0.00 C ATOM 144 C PRO A 10 61.122 -2.102 -3.879 1.00 0.00 C ATOM 145 O PRO A 10 60.872 -1.775 -5.039 1.00 0.00 O ATOM 146 CB PRO A 10 58.814 -1.489 -2.971 1.00 0.00 C ATOM 147 CG PRO A 10 58.639 -0.922 -1.580 1.00 0.00 C ATOM 148 CD PRO A 10 59.842 -1.363 -0.732 1.00 0.00 C ATOM 0 HA PRO A 10 59.692 -3.489 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.018 -0.694 -3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.903 -1.990 -3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.577 0.166 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.709 -1.279 -1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.543 -0.542 -0.583 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.528 -1.697 0.257 1.00 0.00 H new ATOM 156 N LEU A 11 62.357 -2.146 -3.386 1.00 0.00 N ATOM 157 CA LEU A 11 63.520 -1.803 -4.202 1.00 0.00 C ATOM 158 C LEU A 11 63.795 -2.901 -5.226 1.00 0.00 C ATOM 159 O LEU A 11 64.850 -3.537 -5.203 1.00 0.00 O ATOM 160 CB LEU A 11 64.743 -1.640 -3.298 1.00 0.00 C ATOM 161 CG LEU A 11 64.456 -0.586 -2.218 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.616 -0.559 -1.213 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.293 0.802 -2.864 1.00 0.00 C ATOM 0 H LEU A 11 62.579 -2.415 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 11 63.317 -0.870 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.991 -2.593 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.607 -1.340 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 11 63.532 -0.843 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.415 0.188 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.717 -1.539 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.541 -0.307 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.090 1.542 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.210 1.069 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.464 0.779 -3.571 1.00 0.00 H new ATOM 175 N GLN A 12 62.835 -3.126 -6.115 1.00 0.00 N ATOM 176 CA GLN A 12 62.973 -4.159 -7.135 1.00 0.00 C ATOM 177 C GLN A 12 64.003 -3.769 -8.195 1.00 0.00 C ATOM 178 O GLN A 12 64.786 -4.606 -8.646 1.00 0.00 O ATOM 179 CB GLN A 12 61.616 -4.407 -7.797 1.00 0.00 C ATOM 180 CG GLN A 12 60.606 -4.860 -6.738 1.00 0.00 C ATOM 181 CD GLN A 12 61.028 -6.202 -6.153 1.00 0.00 C ATOM 182 OE1 GLN A 12 61.179 -7.180 -6.885 1.00 0.00 O ATOM 183 NE2 GLN A 12 61.234 -6.307 -4.869 1.00 0.00 N ATOM 0 H GLN A 12 61.956 -2.610 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 12 63.323 -5.070 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.265 -3.497 -8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.711 -5.167 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 12 60.539 -4.114 -5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 59.614 -4.944 -7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 12 61.108 -5.495 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 12 61.521 -7.201 -4.470 1.00 0.00 H new ATOM 192 N ASP A 13 63.998 -2.503 -8.595 1.00 0.00 N ATOM 193 CA ASP A 13 64.938 -2.030 -9.608 1.00 0.00 C ATOM 194 C ASP A 13 64.854 -0.515 -9.738 1.00 0.00 C ATOM 195 O ASP A 13 63.758 0.040 -9.827 1.00 0.00 O ATOM 196 CB ASP A 13 64.612 -2.673 -10.955 1.00 0.00 C ATOM 197 CG ASP A 13 65.681 -2.307 -11.978 1.00 0.00 C ATOM 198 OD1 ASP A 13 65.631 -2.841 -13.074 1.00 0.00 O ATOM 199 OD2 ASP A 13 66.538 -1.502 -11.651 1.00 0.00 O1- ATOM 0 H ASP A 13 63.361 -1.791 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 13 65.948 -2.307 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.556 -3.756 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 13 63.635 -2.336 -11.301 1.00 0.00 H new ATOM 204 N VAL A 14 66.008 0.160 -9.741 1.00 0.00 N ATOM 205 CA VAL A 14 66.028 1.622 -9.852 1.00 0.00 C ATOM 206 C VAL A 14 66.903 2.062 -11.025 1.00 0.00 C ATOM 207 O VAL A 14 68.031 1.601 -11.178 1.00 0.00 O ATOM 208 CB VAL A 14 66.576 2.216 -8.556 1.00 0.00 C ATOM 209 CG1 VAL A 14 66.729 3.731 -8.702 1.00 0.00 C ATOM 210 CG2 VAL A 14 65.617 1.899 -7.406 1.00 0.00 C ATOM 0 H VAL A 14 66.928 -0.275 -9.669 1.00 0.00 H new ATOM 0 HA VAL A 14 65.012 1.976 -10.025 1.00 0.00 H new ATOM 0 HB VAL A 14 67.553 1.781 -8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 14 67.120 4.148 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 14 67.418 3.950 -9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 14 65.758 4.176 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.007 2.322 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 14 64.639 2.330 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 14 65.522 0.818 -7.299 1.00 0.00 H new ATOM 220 N GLN A 15 66.370 2.967 -11.845 1.00 0.00 N ATOM 221 CA GLN A 15 67.099 3.489 -13.005 1.00 0.00 C ATOM 222 C GLN A 15 67.072 5.011 -12.992 1.00 0.00 C ATOM 223 O GLN A 15 66.045 5.617 -12.685 1.00 0.00 O ATOM 224 CB GLN A 15 66.462 2.976 -14.298 1.00 0.00 C ATOM 225 CG GLN A 15 66.739 1.480 -14.452 1.00 0.00 C ATOM 226 CD GLN A 15 66.016 0.944 -15.683 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.358 1.703 -16.394 1.00 0.00 O ATOM 228 NE2 GLN A 15 66.104 -0.322 -15.982 1.00 0.00 N ATOM 0 H GLN A 15 65.434 3.356 -11.729 1.00 0.00 H new ATOM 0 HA GLN A 15 68.133 3.147 -12.955 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.387 3.157 -14.282 1.00 0.00 H new ATOM 0 HB3 GLN A 15 66.864 3.520 -15.153 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.811 1.307 -14.545 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.406 0.946 -13.562 1.00 0.00 H new ATOM 0 HE21 GLN A 15 66.650 -0.949 -15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 15 65.627 -0.686 -16.807 1.00 0.00 H new ATOM 237 N LEU A 16 68.204 5.628 -13.316 1.00 0.00 N ATOM 238 CA LEU A 16 68.288 7.086 -13.324 1.00 0.00 C ATOM 239 C LEU A 16 69.419 7.560 -14.228 1.00 0.00 C ATOM 240 O LEU A 16 70.525 7.020 -14.196 1.00 0.00 O ATOM 241 CB LEU A 16 68.497 7.600 -11.892 1.00 0.00 C ATOM 242 CG LEU A 16 69.834 7.062 -11.307 1.00 0.00 C ATOM 243 CD1 LEU A 16 70.932 8.133 -11.396 1.00 0.00 C ATOM 244 CD2 LEU A 16 69.641 6.676 -9.834 1.00 0.00 C ATOM 0 H LEU A 16 69.067 5.149 -13.574 1.00 0.00 H new ATOM 0 HA LEU A 16 67.354 7.487 -13.716 1.00 0.00 H new ATOM 0 HB2 LEU A 16 68.505 8.690 -11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.665 7.285 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 16 70.133 6.189 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 71.860 7.738 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.088 8.408 -12.439 1.00 0.00 H new ATOM 0 HD13 LEU A 16 70.628 9.014 -10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 16 70.581 6.300 -9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 16 69.327 7.552 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 68.878 5.902 -9.758 1.00 0.00 H new ATOM 256 N SER A 17 69.126 8.571 -15.038 1.00 0.00 N ATOM 257 CA SER A 17 70.113 9.118 -15.959 1.00 0.00 C ATOM 258 C SER A 17 71.275 9.749 -15.196 1.00 0.00 C ATOM 259 O SER A 17 71.092 10.305 -14.114 1.00 0.00 O ATOM 260 CB SER A 17 69.460 10.173 -16.853 1.00 0.00 C ATOM 261 OG SER A 17 70.427 10.680 -17.764 1.00 0.00 O ATOM 0 H SER A 17 68.214 9.027 -15.075 1.00 0.00 H new ATOM 0 HA SER A 17 70.498 8.303 -16.572 1.00 0.00 H new ATOM 0 HB2 SER A 17 68.623 9.737 -17.398 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.057 10.983 -16.245 1.00 0.00 H new ATOM 0 HG SER A 17 70.011 11.355 -18.340 1.00 0.00 H new ATOM 267 N GLU A 18 72.468 9.657 -15.775 1.00 0.00 N ATOM 268 CA GLU A 18 73.664 10.219 -15.156 1.00 0.00 C ATOM 269 C GLU A 18 73.521 11.728 -14.984 1.00 0.00 C ATOM 270 O GLU A 18 72.952 12.408 -15.839 1.00 0.00 O ATOM 271 CB GLU A 18 74.886 9.916 -16.031 1.00 0.00 C ATOM 272 CG GLU A 18 76.180 10.240 -15.275 1.00 0.00 C ATOM 273 CD GLU A 18 76.378 11.749 -15.194 1.00 0.00 C ATOM 274 OE1 GLU A 18 75.973 12.430 -16.121 1.00 0.00 O ATOM 275 OE2 GLU A 18 76.933 12.202 -14.206 1.00 0.00 O1- ATOM 0 H GLU A 18 72.633 9.199 -16.671 1.00 0.00 H new ATOM 0 HA GLU A 18 73.794 9.766 -14.173 1.00 0.00 H new ATOM 0 HB2 GLU A 18 74.881 8.866 -16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 74.838 10.501 -16.949 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.139 9.817 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.030 9.781 -15.780 1.00 0.00 H new ATOM 282 N GLY A 19 74.049 12.246 -13.875 1.00 0.00 N ATOM 283 CA GLY A 19 73.987 13.681 -13.591 1.00 0.00 C ATOM 284 C GLY A 19 72.850 14.006 -12.628 1.00 0.00 C ATOM 285 O GLY A 19 72.793 15.102 -12.068 1.00 0.00 O ATOM 0 H GLY A 19 74.524 11.695 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 19 74.934 14.011 -13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 19 73.848 14.232 -14.521 1.00 0.00 H new ATOM 289 N GLN A 20 71.943 13.049 -12.438 1.00 0.00 N ATOM 290 CA GLN A 20 70.802 13.242 -11.539 1.00 0.00 C ATOM 291 C GLN A 20 71.073 12.606 -10.177 1.00 0.00 C ATOM 292 O GLN A 20 71.752 11.584 -10.081 1.00 0.00 O ATOM 293 CB GLN A 20 69.547 12.609 -12.158 1.00 0.00 C ATOM 294 CG GLN A 20 68.999 13.523 -13.257 1.00 0.00 C ATOM 295 CD GLN A 20 70.055 13.727 -14.337 1.00 0.00 C ATOM 296 OE1 GLN A 20 70.216 14.910 -14.862 1.00 0.00 O flip ATOM 297 NE2 GLN A 20 70.752 12.783 -14.711 1.00 0.00 N flip ATOM 0 H GLN A 20 71.974 12.136 -12.891 1.00 0.00 H new ATOM 0 HA GLN A 20 70.647 14.312 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 20 69.788 11.630 -12.572 1.00 0.00 H new ATOM 0 HB3 GLN A 20 68.790 12.453 -11.390 1.00 0.00 H new ATOM 0 HG2 GLN A 20 68.101 13.085 -13.692 1.00 0.00 H new ATOM 0 HG3 GLN A 20 68.710 14.484 -12.832 1.00 0.00 H new ATOM 0 HE21 GLN A 20 70.623 11.859 -14.298 1.00 0.00 H new ATOM 0 HE22 GLN A 20 71.458 12.925 -15.433 1.00 0.00 H new ATOM 306 N ASP A 21 70.524 13.215 -9.128 1.00 0.00 N ATOM 307 CA ASP A 21 70.696 12.700 -7.773 1.00 0.00 C ATOM 308 C ASP A 21 69.881 11.424 -7.600 1.00 0.00 C ATOM 309 O ASP A 21 68.879 11.224 -8.285 1.00 0.00 O ATOM 310 CB ASP A 21 70.241 13.744 -6.746 1.00 0.00 C ATOM 311 CG ASP A 21 71.255 14.882 -6.663 1.00 0.00 C ATOM 312 OD1 ASP A 21 70.905 15.922 -6.129 1.00 0.00 O ATOM 313 OD2 ASP A 21 72.367 14.695 -7.129 1.00 0.00 O1- ATOM 0 H ASP A 21 69.959 14.062 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 21 71.752 12.482 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.264 14.138 -7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.128 13.277 -5.768 1.00 0.00 H new ATOM 318 N ALA A 22 70.319 10.555 -6.689 1.00 0.00 N ATOM 319 CA ALA A 22 69.620 9.288 -6.443 1.00 0.00 C ATOM 320 C ALA A 22 69.362 9.089 -4.954 1.00 0.00 C ATOM 321 O ALA A 22 70.162 9.501 -4.114 1.00 0.00 O ATOM 322 CB ALA A 22 70.462 8.126 -6.971 1.00 0.00 C ATOM 0 H ALA A 22 71.147 10.701 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 22 68.662 9.319 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 22 69.941 7.186 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.621 8.249 -8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.425 8.113 -6.460 1.00 0.00 H new ATOM 328 N SER A 23 68.235 8.452 -4.638 1.00 0.00 N ATOM 329 CA SER A 23 67.862 8.194 -3.247 1.00 0.00 C ATOM 330 C SER A 23 67.117 6.866 -3.133 1.00 0.00 C ATOM 331 O SER A 23 66.366 6.482 -4.030 1.00 0.00 O ATOM 332 CB SER A 23 66.972 9.325 -2.730 1.00 0.00 C ATOM 333 OG SER A 23 67.761 10.491 -2.534 1.00 0.00 O ATOM 0 H SER A 23 67.565 8.106 -5.325 1.00 0.00 H new ATOM 0 HA SER A 23 68.771 8.142 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.172 9.528 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.498 9.031 -1.794 1.00 0.00 H new ATOM 0 HG SER A 23 67.193 11.219 -2.204 1.00 0.00 H new ATOM 339 N PHE A 24 67.340 6.166 -2.021 1.00 0.00 N ATOM 340 CA PHE A 24 66.703 4.866 -1.767 1.00 0.00 C ATOM 341 C PHE A 24 65.857 4.955 -0.493 1.00 0.00 C ATOM 342 O PHE A 24 66.170 5.720 0.420 1.00 0.00 O ATOM 343 CB PHE A 24 67.790 3.775 -1.585 1.00 0.00 C ATOM 344 CG PHE A 24 68.105 3.052 -2.890 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.193 1.650 -2.899 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.322 3.764 -4.079 1.00 0.00 C ATOM 347 CE1 PHE A 24 68.494 0.969 -4.085 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.622 3.078 -5.265 1.00 0.00 C ATOM 349 CZ PHE A 24 68.707 1.684 -5.267 1.00 0.00 C ATOM 0 H PHE A 24 67.961 6.477 -1.274 1.00 0.00 H new ATOM 0 HA PHE A 24 66.068 4.605 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.700 4.232 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.455 3.051 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 24 68.028 1.095 -1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 24 68.258 4.842 -4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 24 68.562 -0.109 -4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.788 3.629 -6.179 1.00 0.00 H new ATOM 0 HZ PHE A 24 68.937 1.158 -6.182 1.00 0.00 H new ATOM 359 N GLN A 25 64.788 4.163 -0.438 1.00 0.00 N ATOM 360 CA GLN A 25 63.906 4.150 0.729 1.00 0.00 C ATOM 361 C GLN A 25 63.349 2.749 0.964 1.00 0.00 C ATOM 362 O GLN A 25 62.852 2.103 0.042 1.00 0.00 O ATOM 363 CB GLN A 25 62.750 5.135 0.527 1.00 0.00 C ATOM 364 CG GLN A 25 62.111 4.910 -0.846 1.00 0.00 C ATOM 365 CD GLN A 25 60.961 5.890 -1.055 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.806 6.840 -0.288 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.143 5.716 -2.057 1.00 0.00 N ATOM 0 H GLN A 25 64.512 3.524 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 25 64.487 4.450 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.005 5.001 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 25 63.115 6.159 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.858 5.041 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.745 3.886 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.274 4.928 -2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 25 59.373 6.368 -2.206 1.00 0.00 H new ATOM 376 N CYS A 26 63.432 2.284 2.208 1.00 0.00 N ATOM 377 CA CYS A 26 62.922 0.958 2.554 1.00 0.00 C ATOM 378 C CYS A 26 62.487 0.915 4.014 1.00 0.00 C ATOM 379 O CYS A 26 63.143 1.488 4.883 1.00 0.00 O ATOM 380 CB CYS A 26 63.992 -0.109 2.287 1.00 0.00 C ATOM 381 SG CYS A 26 65.208 -0.120 3.627 1.00 0.00 S ATOM 0 H CYS A 26 63.843 2.799 2.987 1.00 0.00 H new ATOM 0 HA CYS A 26 62.054 0.749 1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 26 63.525 -1.090 2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 26 64.488 0.092 1.337 1.00 0.00 H new ATOM 0 HG CYS A 26 64.734 0.530 4.648 1.00 0.00 H new ATOM 387 N ARG A 27 61.375 0.231 4.276 1.00 0.00 N ATOM 388 CA ARG A 27 60.852 0.115 5.638 1.00 0.00 C ATOM 389 C ARG A 27 61.227 -1.234 6.237 1.00 0.00 C ATOM 390 O ARG A 27 60.819 -2.279 5.728 1.00 0.00 O ATOM 391 CB ARG A 27 59.326 0.243 5.618 1.00 0.00 C ATOM 392 CG ARG A 27 58.936 1.663 5.199 1.00 0.00 C ATOM 393 CD ARG A 27 57.411 1.811 5.208 1.00 0.00 C ATOM 394 NE ARG A 27 57.036 3.167 4.817 1.00 0.00 N ATOM 395 CZ ARG A 27 55.791 3.612 4.969 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.256 3.663 6.158 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.105 3.999 3.928 1.00 0.00 N ATOM 0 H ARG A 27 60.820 -0.250 3.568 1.00 0.00 H new ATOM 0 HA ARG A 27 61.285 0.911 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.899 -0.482 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.919 0.019 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.384 2.388 5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.325 1.877 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 27 56.964 1.090 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.022 1.590 6.202 1.00 0.00 H new ATOM 0 HE ARG A 27 57.743 3.786 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.792 3.362 6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 27 54.302 4.004 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.523 3.960 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.151 4.340 4.044 1.00 0.00 H new ATOM 411 N LEU A 28 61.998 -1.213 7.327 1.00 0.00 N ATOM 412 CA LEU A 28 62.409 -2.455 7.990 1.00 0.00 C ATOM 413 C LEU A 28 62.111 -2.382 9.483 1.00 0.00 C ATOM 414 O LEU A 28 62.809 -1.692 10.222 1.00 0.00 O ATOM 415 CB LEU A 28 63.913 -2.683 7.786 1.00 0.00 C ATOM 416 CG LEU A 28 64.242 -2.777 6.290 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.763 -2.822 6.121 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.625 -4.050 5.684 1.00 0.00 C ATOM 0 H LEU A 28 62.347 -0.361 7.766 1.00 0.00 H new ATOM 0 HA LEU A 28 61.850 -3.282 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.476 -1.866 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.220 -3.599 8.291 1.00 0.00 H new ATOM 0 HG LEU A 28 63.829 -1.909 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.010 -2.889 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.203 -1.917 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.161 -3.693 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.867 -4.102 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.028 -4.927 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.542 -4.024 5.808 1.00 0.00 H new ATOM 430 N SER A 29 61.079 -3.100 9.928 1.00 0.00 N ATOM 431 CA SER A 29 60.722 -3.095 11.345 1.00 0.00 C ATOM 432 C SER A 29 61.861 -3.660 12.169 1.00 0.00 C ATOM 433 O SER A 29 62.770 -4.298 11.633 1.00 0.00 O ATOM 434 CB SER A 29 59.459 -3.913 11.607 1.00 0.00 C ATOM 435 OG SER A 29 59.050 -3.729 12.956 1.00 0.00 O ATOM 0 H SER A 29 60.485 -3.683 9.338 1.00 0.00 H new ATOM 0 HA SER A 29 60.530 -2.061 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.664 -3.603 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.649 -4.969 11.414 1.00 0.00 H new ATOM 0 HG SER A 29 58.239 -4.252 13.126 1.00 0.00 H new ATOM 441 N ARG A 30 61.798 -3.416 13.472 1.00 0.00 N ATOM 442 CA ARG A 30 62.831 -3.875 14.384 1.00 0.00 C ATOM 443 C ARG A 30 63.044 -5.374 14.264 1.00 0.00 C ATOM 444 O ARG A 30 62.210 -6.098 13.720 1.00 0.00 O ATOM 445 CB ARG A 30 62.435 -3.525 15.822 1.00 0.00 C ATOM 446 CG ARG A 30 61.253 -4.395 16.267 1.00 0.00 C ATOM 447 CD ARG A 30 60.708 -3.884 17.603 1.00 0.00 C ATOM 448 NE ARG A 30 61.729 -3.992 18.639 1.00 0.00 N ATOM 449 CZ ARG A 30 61.967 -5.147 19.247 1.00 0.00 C ATOM 450 NH1 ARG A 30 62.903 -5.939 18.798 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 61.258 -5.496 20.285 1.00 0.00 N ATOM 0 H ARG A 30 61.039 -2.901 13.919 1.00 0.00 H new ATOM 0 HA ARG A 30 63.765 -3.377 14.123 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.283 -3.680 16.489 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.166 -2.471 15.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.468 -4.373 15.511 1.00 0.00 H new ATOM 0 HG3 ARG A 30 61.571 -5.433 16.366 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.391 -2.846 17.501 1.00 0.00 H new ATOM 0 HD3 ARG A 30 59.828 -4.460 17.889 1.00 0.00 H new ATOM 0 HE ARG A 30 62.268 -3.167 18.900 1.00 0.00 H new ATOM 0 HH11 ARG A 30 63.450 -5.669 17.981 1.00 0.00 H new ATOM 0 HH12 ARG A 30 63.087 -6.827 19.265 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.521 -4.881 20.629 1.00 0.00 H new ATOM 0 HH22 ARG A 30 61.441 -6.384 20.752 1.00 0.00 H new ATOM 465 N ALA A 31 64.186 -5.825 14.769 1.00 0.00 N ATOM 466 CA ALA A 31 64.548 -7.235 14.718 1.00 0.00 C ATOM 467 C ALA A 31 64.140 -7.960 15.993 1.00 0.00 C ATOM 468 O ALA A 31 63.484 -7.395 16.869 1.00 0.00 O ATOM 469 CB ALA A 31 66.057 -7.373 14.514 1.00 0.00 C ATOM 0 H ALA A 31 64.880 -5.230 15.221 1.00 0.00 H new ATOM 0 HA ALA A 31 64.016 -7.689 13.882 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.324 -8.429 14.476 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.343 -6.893 13.578 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.581 -6.896 15.342 1.00 0.00 H new ATOM 475 N SER A 32 64.543 -9.222 16.078 1.00 0.00 N ATOM 476 CA SER A 32 64.240 -10.056 17.235 1.00 0.00 C ATOM 477 C SER A 32 65.361 -11.068 17.407 1.00 0.00 C ATOM 478 O SER A 32 65.937 -11.200 18.487 1.00 0.00 O ATOM 479 CB SER A 32 62.899 -10.770 17.033 1.00 0.00 C ATOM 480 OG SER A 32 61.842 -9.885 17.379 1.00 0.00 O ATOM 0 H SER A 32 65.085 -9.693 15.353 1.00 0.00 H new ATOM 0 HA SER A 32 64.162 -9.439 18.130 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.796 -11.090 15.996 1.00 0.00 H new ATOM 0 HB3 SER A 32 62.855 -11.668 17.650 1.00 0.00 H new ATOM 0 HG SER A 32 62.167 -8.961 17.351 1.00 0.00 H new ATOM 486 N GLY A 33 65.687 -11.756 16.317 1.00 0.00 N ATOM 487 CA GLY A 33 66.769 -12.731 16.330 1.00 0.00 C ATOM 488 C GLY A 33 68.076 -12.034 15.981 1.00 0.00 C ATOM 489 O GLY A 33 68.901 -11.766 16.855 1.00 0.00 O ATOM 0 H GLY A 33 65.218 -11.656 15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.843 -13.197 17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.565 -13.527 15.614 1.00 0.00 H new ATOM 493 N GLN A 34 68.252 -11.724 14.693 1.00 0.00 N ATOM 494 CA GLN A 34 69.454 -11.033 14.222 1.00 0.00 C ATOM 495 C GLN A 34 69.077 -9.761 13.463 1.00 0.00 C ATOM 496 O GLN A 34 67.985 -9.660 12.905 1.00 0.00 O ATOM 497 CB GLN A 34 70.265 -11.960 13.315 1.00 0.00 C ATOM 498 CG GLN A 34 71.612 -11.316 12.987 1.00 0.00 C ATOM 499 CD GLN A 34 72.494 -12.310 12.237 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.057 -13.417 11.923 1.00 0.00 O ATOM 501 NE2 GLN A 34 73.720 -11.981 11.937 1.00 0.00 N ATOM 0 H GLN A 34 67.577 -11.941 13.959 1.00 0.00 H new ATOM 0 HA GLN A 34 70.058 -10.757 15.086 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.421 -12.920 13.807 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.713 -12.159 12.396 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.460 -10.423 12.381 1.00 0.00 H new ATOM 0 HG3 GLN A 34 72.106 -10.999 13.905 1.00 0.00 H new ATOM 0 HE21 GLN A 34 74.080 -11.063 12.198 1.00 0.00 H new ATOM 0 HE22 GLN A 34 74.319 -12.642 11.441 1.00 0.00 H new ATOM 510 N GLU A 35 69.993 -8.795 13.444 1.00 0.00 N ATOM 511 CA GLU A 35 69.761 -7.529 12.748 1.00 0.00 C ATOM 512 C GLU A 35 70.240 -7.634 11.298 1.00 0.00 C ATOM 513 O GLU A 35 71.209 -8.334 11.010 1.00 0.00 O ATOM 514 CB GLU A 35 70.522 -6.408 13.465 1.00 0.00 C ATOM 515 CG GLU A 35 70.163 -5.045 12.861 1.00 0.00 C ATOM 516 CD GLU A 35 68.740 -4.662 13.250 1.00 0.00 C ATOM 517 OE1 GLU A 35 68.156 -5.371 14.051 1.00 0.00 O ATOM 518 OE2 GLU A 35 68.256 -3.661 12.744 1.00 0.00 O1- ATOM 0 H GLU A 35 70.902 -8.864 13.902 1.00 0.00 H new ATOM 0 HA GLU A 35 68.694 -7.306 12.752 1.00 0.00 H new ATOM 0 HB2 GLU A 35 70.279 -6.417 14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.595 -6.578 13.382 1.00 0.00 H new ATOM 0 HG2 GLU A 35 70.862 -4.286 13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 35 70.254 -5.083 11.776 1.00 0.00 H new ATOM 525 N ALA A 36 69.562 -6.935 10.391 1.00 0.00 N ATOM 526 CA ALA A 36 69.944 -6.967 8.983 1.00 0.00 C ATOM 527 C ALA A 36 71.256 -6.219 8.772 1.00 0.00 C ATOM 528 O ALA A 36 71.553 -5.253 9.474 1.00 0.00 O ATOM 529 CB ALA A 36 68.853 -6.322 8.124 1.00 0.00 C ATOM 0 H ALA A 36 68.756 -6.347 10.602 1.00 0.00 H new ATOM 0 HA ALA A 36 70.071 -8.008 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.150 -6.352 7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.918 -6.868 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.713 -5.286 8.432 1.00 0.00 H new ATOM 535 N ARG A 37 72.041 -6.679 7.799 1.00 0.00 N ATOM 536 CA ARG A 37 73.329 -6.061 7.488 1.00 0.00 C ATOM 537 C ARG A 37 73.257 -5.305 6.168 1.00 0.00 C ATOM 538 O ARG A 37 72.651 -5.773 5.202 1.00 0.00 O ATOM 539 CB ARG A 37 74.411 -7.135 7.393 1.00 0.00 C ATOM 540 CG ARG A 37 74.681 -7.712 8.781 1.00 0.00 C ATOM 541 CD ARG A 37 75.743 -8.803 8.672 1.00 0.00 C ATOM 542 NE ARG A 37 76.029 -9.361 9.986 1.00 0.00 N ATOM 543 CZ ARG A 37 77.130 -10.073 10.202 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.869 -9.825 11.249 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 77.475 -11.015 9.365 1.00 0.00 N ATOM 0 H ARG A 37 71.807 -7.479 7.211 1.00 0.00 H new ATOM 0 HA ARG A 37 73.574 -5.360 8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.094 -7.927 6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.326 -6.709 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 37 75.018 -6.925 9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.763 -8.122 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.398 -9.590 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 37 76.654 -8.391 8.238 1.00 0.00 H new ATOM 0 HE ARG A 37 75.374 -9.203 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.601 -9.086 11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.715 -10.370 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.899 -11.204 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 37 78.320 -11.561 9.532 1.00 0.00 H new ATOM 559 N TRP A 38 73.893 -4.136 6.143 1.00 0.00 N ATOM 560 CA TRP A 38 73.926 -3.291 4.951 1.00 0.00 C ATOM 561 C TRP A 38 75.288 -3.445 4.272 1.00 0.00 C ATOM 562 O TRP A 38 76.320 -3.425 4.944 1.00 0.00 O ATOM 563 CB TRP A 38 73.697 -1.828 5.380 1.00 0.00 C ATOM 564 CG TRP A 38 73.046 -1.047 4.282 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.701 -0.305 3.362 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.626 -0.908 3.987 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.775 0.276 2.516 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.482 -0.065 2.861 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.461 -1.428 4.581 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.227 0.251 2.341 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.196 -1.111 4.061 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.080 -0.273 2.943 1.00 0.00 C ATOM 0 H TRP A 38 74.396 -3.750 6.942 1.00 0.00 H new ATOM 0 HA TRP A 38 73.147 -3.584 4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 38 73.072 -1.800 6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.650 -1.368 5.644 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.772 -0.185 3.298 1.00 0.00 H new ATOM 0 HE1 TRP A 38 73.017 0.883 1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.541 -2.075 5.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.142 0.896 1.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.308 -1.515 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.104 -0.033 2.547 1.00 0.00 H new ATOM 583 N ALA A 39 75.301 -3.616 2.952 1.00 0.00 N ATOM 584 CA ALA A 39 76.569 -3.791 2.249 1.00 0.00 C ATOM 585 C ALA A 39 76.416 -3.560 0.752 1.00 0.00 C ATOM 586 O ALA A 39 75.336 -3.737 0.190 1.00 0.00 O ATOM 587 CB ALA A 39 77.101 -5.205 2.493 1.00 0.00 C ATOM 0 H ALA A 39 74.471 -3.637 2.360 1.00 0.00 H new ATOM 0 HA ALA A 39 77.272 -3.053 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 39 78.047 -5.333 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.256 -5.356 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.379 -5.934 2.124 1.00 0.00 H new ATOM 593 N LEU A 40 77.519 -3.170 0.113 1.00 0.00 N ATOM 594 CA LEU A 40 77.537 -2.920 -1.330 1.00 0.00 C ATOM 595 C LEU A 40 78.679 -3.699 -1.974 1.00 0.00 C ATOM 596 O LEU A 40 79.827 -3.601 -1.542 1.00 0.00 O ATOM 597 CB LEU A 40 77.708 -1.414 -1.594 1.00 0.00 C ATOM 598 CG LEU A 40 77.593 -1.106 -3.115 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.008 0.299 -3.325 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.978 -1.172 -3.798 1.00 0.00 C ATOM 0 H LEU A 40 78.416 -3.020 0.574 1.00 0.00 H new ATOM 0 HA LEU A 40 76.594 -3.251 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.949 -0.855 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.678 -1.082 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 40 76.938 -1.856 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 40 76.931 0.505 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.017 0.352 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 40 77.660 1.038 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.871 -0.953 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 40 79.644 -0.439 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.398 -2.170 -3.674 1.00 0.00 H new ATOM 612 N GLY A 41 78.360 -4.470 -3.012 1.00 0.00 N ATOM 613 CA GLY A 41 79.375 -5.258 -3.706 1.00 0.00 C ATOM 614 C GLY A 41 79.666 -6.556 -2.957 1.00 0.00 C ATOM 615 O GLY A 41 80.624 -7.262 -3.269 1.00 0.00 O ATOM 0 H GLY A 41 77.416 -4.565 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.036 -5.485 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.291 -4.675 -3.801 1.00 0.00 H new ATOM 619 N GLY A 42 78.830 -6.862 -1.968 1.00 0.00 N ATOM 620 CA GLY A 42 78.997 -8.078 -1.171 1.00 0.00 C ATOM 621 C GLY A 42 79.836 -7.800 0.071 1.00 0.00 C ATOM 622 O GLY A 42 79.843 -8.587 1.018 1.00 0.00 O ATOM 0 H GLY A 42 78.032 -6.287 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.020 -8.463 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.476 -8.850 -1.773 1.00 0.00 H new ATOM 626 N VAL A 43 80.543 -6.670 0.060 1.00 0.00 N ATOM 627 CA VAL A 43 81.393 -6.276 1.187 1.00 0.00 C ATOM 628 C VAL A 43 80.773 -5.078 1.919 1.00 0.00 C ATOM 629 O VAL A 43 80.116 -4.250 1.288 1.00 0.00 O ATOM 630 CB VAL A 43 82.773 -5.894 0.655 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.478 -7.149 0.136 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.610 -4.899 -0.496 1.00 0.00 C ATOM 0 H VAL A 43 80.545 -6.010 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 43 81.481 -7.108 1.886 1.00 0.00 H new ATOM 0 HB VAL A 43 83.363 -5.443 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.464 -6.881 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.586 -7.868 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 43 82.888 -7.593 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.592 -4.623 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.025 -5.357 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.097 -4.007 -0.136 1.00 0.00 H new ATOM 642 N PRO A 44 80.962 -4.950 3.217 1.00 0.00 N ATOM 643 CA PRO A 44 80.387 -3.801 3.968 1.00 0.00 C ATOM 644 C PRO A 44 80.850 -2.477 3.357 1.00 0.00 C ATOM 645 O PRO A 44 81.978 -2.363 2.878 1.00 0.00 O ATOM 646 CB PRO A 44 80.895 -3.958 5.422 1.00 0.00 C ATOM 647 CG PRO A 44 81.731 -5.216 5.473 1.00 0.00 C ATOM 648 CD PRO A 44 81.715 -5.873 4.080 1.00 0.00 C ATOM 0 HA PRO A 44 79.298 -3.792 3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.486 -3.091 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 44 80.058 -4.025 6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.753 -4.979 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.335 -5.904 6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.728 -6.022 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.240 -6.853 4.114 1.00 0.00 H new ATOM 656 N LEU A 45 79.960 -1.487 3.360 1.00 0.00 N ATOM 657 CA LEU A 45 80.266 -0.174 2.787 1.00 0.00 C ATOM 658 C LEU A 45 80.610 0.837 3.875 1.00 0.00 C ATOM 659 O LEU A 45 80.647 0.505 5.059 1.00 0.00 O ATOM 660 CB LEU A 45 79.066 0.312 1.945 1.00 0.00 C ATOM 661 CG LEU A 45 77.976 0.968 2.819 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.756 1.279 1.950 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.542 0.022 3.945 1.00 0.00 C ATOM 0 H LEU A 45 79.022 -1.567 3.752 1.00 0.00 H new ATOM 0 HA LEU A 45 81.141 -0.268 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.412 1.027 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.638 -0.531 1.403 1.00 0.00 H new ATOM 0 HG LEU A 45 78.383 1.881 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.982 1.743 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.044 1.961 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 45 76.372 0.355 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.773 0.504 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 45 77.143 -0.897 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 45 78.401 -0.215 4.573 1.00 0.00 H new ATOM 675 N GLN A 46 80.853 2.077 3.460 1.00 0.00 N ATOM 676 CA GLN A 46 81.182 3.151 4.394 1.00 0.00 C ATOM 677 C GLN A 46 80.518 4.448 3.948 1.00 0.00 C ATOM 678 O GLN A 46 80.712 4.898 2.818 1.00 0.00 O ATOM 679 CB GLN A 46 82.697 3.351 4.461 1.00 0.00 C ATOM 680 CG GLN A 46 83.347 2.157 5.163 1.00 0.00 C ATOM 681 CD GLN A 46 84.855 2.368 5.244 1.00 0.00 C ATOM 682 OE1 GLN A 46 85.384 3.427 4.697 1.00 0.00 O flip ATOM 683 NE2 GLN A 46 85.569 1.546 5.819 1.00 0.00 N flip ATOM 0 H GLN A 46 80.828 2.364 2.481 1.00 0.00 H new ATOM 0 HA GLN A 46 80.815 2.876 5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 46 83.104 3.459 3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.928 4.271 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.932 2.041 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 46 83.127 1.239 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 46 85.152 0.719 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 46 86.577 1.692 5.868 1.00 0.00 H new ATOM 692 N ALA A 47 79.732 5.045 4.837 1.00 0.00 N ATOM 693 CA ALA A 47 79.047 6.288 4.513 1.00 0.00 C ATOM 694 C ALA A 47 80.052 7.424 4.330 1.00 0.00 C ATOM 695 O ALA A 47 80.270 8.229 5.237 1.00 0.00 O ATOM 696 CB ALA A 47 78.056 6.643 5.625 1.00 0.00 C ATOM 0 H ALA A 47 79.555 4.692 5.778 1.00 0.00 H new ATOM 0 HA ALA A 47 78.504 6.151 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.547 7.574 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.321 5.844 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 47 78.593 6.764 6.566 1.00 0.00 H new ATOM 702 N ASN A 48 80.648 7.485 3.143 1.00 0.00 N ATOM 703 CA ASN A 48 81.620 8.529 2.830 1.00 0.00 C ATOM 704 C ASN A 48 80.933 9.892 2.795 1.00 0.00 C ATOM 705 O ASN A 48 79.780 10.023 3.202 1.00 0.00 O ATOM 706 CB ASN A 48 82.261 8.250 1.465 1.00 0.00 C ATOM 707 CG ASN A 48 83.255 7.097 1.565 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.915 6.930 2.591 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.403 6.289 0.550 1.00 0.00 N ATOM 0 H ASN A 48 80.476 6.826 2.384 1.00 0.00 H new ATOM 0 HA ASN A 48 82.390 8.533 3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.487 8.008 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 48 82.769 9.145 1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.067 5.517 0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.855 6.430 -0.298 1.00 0.00 H new ATOM 716 N GLU A 49 81.638 10.903 2.297 1.00 0.00 N ATOM 717 CA GLU A 49 81.060 12.239 2.208 1.00 0.00 C ATOM 718 C GLU A 49 79.882 12.231 1.240 1.00 0.00 C ATOM 719 O GLU A 49 78.779 12.658 1.581 1.00 0.00 O ATOM 720 CB GLU A 49 82.117 13.237 1.734 1.00 0.00 C ATOM 721 CG GLU A 49 83.140 13.461 2.848 1.00 0.00 C ATOM 722 CD GLU A 49 84.250 14.382 2.355 1.00 0.00 C ATOM 723 OE1 GLU A 49 85.132 14.690 3.142 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.205 14.765 1.197 1.00 0.00 O1- ATOM 0 H GLU A 49 82.595 10.826 1.954 1.00 0.00 H new ATOM 0 HA GLU A 49 80.708 12.539 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.613 12.860 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.645 14.182 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.652 13.899 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.561 12.507 3.164 1.00 0.00 H new ATOM 731 N MET A 50 80.125 11.717 0.039 1.00 0.00 N ATOM 732 CA MET A 50 79.080 11.622 -0.973 1.00 0.00 C ATOM 733 C MET A 50 78.019 10.620 -0.528 1.00 0.00 C ATOM 734 O MET A 50 76.819 10.835 -0.717 1.00 0.00 O ATOM 735 CB MET A 50 79.695 11.174 -2.300 1.00 0.00 C ATOM 736 CG MET A 50 78.621 11.124 -3.390 1.00 0.00 C ATOM 737 SD MET A 50 79.376 10.569 -4.938 1.00 0.00 S ATOM 738 CE MET A 50 79.811 8.895 -4.396 1.00 0.00 C ATOM 0 H MET A 50 81.034 11.361 -0.257 1.00 0.00 H new ATOM 0 HA MET A 50 78.613 12.598 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.488 11.862 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.152 10.191 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 50 77.820 10.445 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 50 78.173 12.109 -3.522 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.049 8.281 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.677 8.940 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 50 78.969 8.456 -3.861 1.00 0.00 H new ATOM 748 N ASN A 51 78.483 9.522 0.070 1.00 0.00 N ATOM 749 CA ASN A 51 77.593 8.471 0.558 1.00 0.00 C ATOM 750 C ASN A 51 77.285 8.695 2.032 1.00 0.00 C ATOM 751 O ASN A 51 78.102 8.396 2.900 1.00 0.00 O ATOM 752 CB ASN A 51 78.259 7.105 0.373 1.00 0.00 C ATOM 753 CG ASN A 51 77.413 6.008 1.016 1.00 0.00 C ATOM 754 OD1 ASN A 51 76.158 6.237 1.292 1.00 0.00 O flip ATOM 755 ND2 ASN A 51 77.912 4.913 1.277 1.00 0.00 N flip ATOM 0 H ASN A 51 79.474 9.338 0.228 1.00 0.00 H new ATOM 0 HA ASN A 51 76.663 8.500 -0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.388 6.897 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 51 79.253 7.115 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.893 4.735 1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 51 77.345 4.184 1.709 1.00 0.00 H new ATOM 762 N ASP A 52 76.097 9.221 2.306 1.00 0.00 N ATOM 763 CA ASP A 52 75.667 9.491 3.673 1.00 0.00 C ATOM 764 C ASP A 52 74.457 8.635 3.994 1.00 0.00 C ATOM 765 O ASP A 52 73.586 8.451 3.149 1.00 0.00 O ATOM 766 CB ASP A 52 75.303 10.969 3.814 1.00 0.00 C ATOM 767 CG ASP A 52 76.552 11.833 3.664 1.00 0.00 C ATOM 768 OD1 ASP A 52 76.402 13.014 3.396 1.00 0.00 O ATOM 769 OD2 ASP A 52 77.640 11.302 3.818 1.00 0.00 O1- ATOM 0 H ASP A 52 75.410 9.470 1.594 1.00 0.00 H new ATOM 0 HA ASP A 52 76.476 9.254 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.568 11.244 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.843 11.147 4.786 1.00 0.00 H new ATOM 774 N ILE A 53 74.408 8.105 5.210 1.00 0.00 N ATOM 775 CA ILE A 53 73.292 7.255 5.625 1.00 0.00 C ATOM 776 C ILE A 53 72.632 7.816 6.875 1.00 0.00 C ATOM 777 O ILE A 53 73.309 8.179 7.836 1.00 0.00 O ATOM 778 CB ILE A 53 73.799 5.843 5.900 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.426 5.279 4.625 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.622 4.965 6.311 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.120 3.953 4.934 1.00 0.00 C ATOM 0 H ILE A 53 75.122 8.246 5.925 1.00 0.00 H new ATOM 0 HA ILE A 53 72.554 7.228 4.823 1.00 0.00 H new ATOM 0 HB ILE A 53 74.542 5.863 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.658 5.130 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.144 5.990 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 53 72.975 3.953 6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.161 5.372 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.887 4.941 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.566 3.554 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.900 4.115 5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.390 3.242 5.322 1.00 0.00 H new ATOM 793 N THR A 54 71.300 7.892 6.855 1.00 0.00 N ATOM 794 CA THR A 54 70.549 8.423 7.995 1.00 0.00 C ATOM 795 C THR A 54 69.409 7.488 8.376 1.00 0.00 C ATOM 796 O THR A 54 68.738 6.918 7.513 1.00 0.00 O ATOM 797 CB THR A 54 69.979 9.803 7.649 1.00 0.00 C ATOM 798 OG1 THR A 54 69.049 10.189 8.651 1.00 0.00 O ATOM 799 CG2 THR A 54 69.275 9.753 6.289 1.00 0.00 C ATOM 0 H THR A 54 70.722 7.595 6.069 1.00 0.00 H new ATOM 0 HA THR A 54 71.231 8.508 8.841 1.00 0.00 H new ATOM 0 HB THR A 54 70.792 10.527 7.601 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.683 11.072 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.873 10.738 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.989 9.457 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.462 9.028 6.327 1.00 0.00 H new ATOM 807 N VAL A 55 69.194 7.343 9.685 1.00 0.00 N ATOM 808 CA VAL A 55 68.129 6.484 10.206 1.00 0.00 C ATOM 809 C VAL A 55 67.174 7.314 11.053 1.00 0.00 C ATOM 810 O VAL A 55 67.600 8.088 11.909 1.00 0.00 O ATOM 811 CB VAL A 55 68.731 5.354 11.048 1.00 0.00 C ATOM 812 CG1 VAL A 55 67.613 4.574 11.757 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.518 4.414 10.130 1.00 0.00 C ATOM 0 H VAL A 55 69.745 7.811 10.405 1.00 0.00 H new ATOM 0 HA VAL A 55 67.581 6.045 9.372 1.00 0.00 H new ATOM 0 HB VAL A 55 69.396 5.775 11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 55 68.050 3.773 12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 67.055 5.248 12.408 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.939 4.147 11.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.950 3.606 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.849 3.996 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 55 70.316 4.970 9.637 1.00 0.00 H new ATOM 823 N GLU A 56 65.878 7.155 10.800 1.00 0.00 N ATOM 824 CA GLU A 56 64.852 7.901 11.533 1.00 0.00 C ATOM 825 C GLU A 56 63.933 6.955 12.285 1.00 0.00 C ATOM 826 O GLU A 56 64.084 5.735 12.219 1.00 0.00 O ATOM 827 CB GLU A 56 64.016 8.721 10.553 1.00 0.00 C ATOM 828 CG GLU A 56 64.873 9.827 9.941 1.00 0.00 C ATOM 829 CD GLU A 56 64.085 10.544 8.849 1.00 0.00 C ATOM 830 OE1 GLU A 56 62.946 10.168 8.625 1.00 0.00 O ATOM 831 OE2 GLU A 56 64.631 11.456 8.251 1.00 0.00 O1- ATOM 0 H GLU A 56 65.510 6.517 10.094 1.00 0.00 H new ATOM 0 HA GLU A 56 65.351 8.557 12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.623 8.076 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 56 63.158 9.155 11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.173 10.537 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.787 9.404 9.525 1.00 0.00 H new ATOM 838 N GLN A 57 62.968 7.531 12.988 1.00 0.00 N ATOM 839 CA GLN A 57 62.010 6.740 13.740 1.00 0.00 C ATOM 840 C GLN A 57 61.248 5.816 12.802 1.00 0.00 C ATOM 841 O GLN A 57 61.325 5.957 11.580 1.00 0.00 O ATOM 842 CB GLN A 57 61.029 7.658 14.463 1.00 0.00 C ATOM 843 CG GLN A 57 61.758 8.394 15.588 1.00 0.00 C ATOM 844 CD GLN A 57 60.795 9.328 16.312 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.599 9.338 16.020 1.00 0.00 O ATOM 846 NE2 GLN A 57 61.249 10.118 17.246 1.00 0.00 N ATOM 0 H GLN A 57 62.830 8.540 13.052 1.00 0.00 H new ATOM 0 HA GLN A 57 62.548 6.141 14.474 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.600 8.375 13.762 1.00 0.00 H new ATOM 0 HB3 GLN A 57 60.202 7.076 14.870 1.00 0.00 H new ATOM 0 HG2 GLN A 57 62.178 7.675 16.292 1.00 0.00 H new ATOM 0 HG3 GLN A 57 62.592 8.964 15.179 1.00 0.00 H new ATOM 0 HE21 GLN A 57 62.240 10.107 17.486 1.00 0.00 H new ATOM 0 HE22 GLN A 57 60.612 10.746 17.737 1.00 0.00 H new ATOM 855 N GLY A 58 60.522 4.866 13.373 1.00 0.00 N ATOM 856 CA GLY A 58 59.766 3.924 12.564 1.00 0.00 C ATOM 857 C GLY A 58 60.718 2.968 11.865 1.00 0.00 C ATOM 858 O GLY A 58 60.343 2.272 10.920 1.00 0.00 O ATOM 0 H GLY A 58 60.441 4.728 14.380 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.072 3.366 13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.168 4.461 11.827 1.00 0.00 H new ATOM 862 N THR A 59 61.959 2.945 12.339 1.00 0.00 N ATOM 863 CA THR A 59 62.973 2.078 11.758 1.00 0.00 C ATOM 864 C THR A 59 63.093 2.332 10.254 1.00 0.00 C ATOM 865 O THR A 59 63.329 1.409 9.465 1.00 0.00 O ATOM 866 CB THR A 59 62.622 0.609 12.043 1.00 0.00 C ATOM 867 OG1 THR A 59 61.920 0.530 13.277 1.00 0.00 O ATOM 868 CG2 THR A 59 63.902 -0.231 12.127 1.00 0.00 C ATOM 0 H THR A 59 62.284 3.514 13.120 1.00 0.00 H new ATOM 0 HA THR A 59 63.939 2.299 12.212 1.00 0.00 H new ATOM 0 HB THR A 59 61.999 0.223 11.236 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.691 -0.404 13.464 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.643 -1.270 12.329 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.441 -0.169 11.181 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.534 0.148 12.930 1.00 0.00 H new ATOM 876 N LEU A 60 62.923 3.597 9.871 1.00 0.00 N ATOM 877 CA LEU A 60 63.014 3.994 8.468 1.00 0.00 C ATOM 878 C LEU A 60 64.481 4.115 8.040 1.00 0.00 C ATOM 879 O LEU A 60 65.312 4.632 8.787 1.00 0.00 O ATOM 880 CB LEU A 60 62.311 5.343 8.268 1.00 0.00 C ATOM 881 CG LEU A 60 60.821 5.228 8.621 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.199 6.628 8.635 1.00 0.00 C ATOM 883 CD2 LEU A 60 60.090 4.356 7.586 1.00 0.00 C ATOM 0 H LEU A 60 62.722 4.364 10.513 1.00 0.00 H new ATOM 0 HA LEU A 60 62.530 3.232 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.782 6.102 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.422 5.668 7.234 1.00 0.00 H new ATOM 0 HG LEU A 60 60.723 4.765 9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.141 6.553 8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.705 7.244 9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.308 7.084 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.035 4.284 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.187 4.806 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.530 3.359 7.575 1.00 0.00 H new ATOM 895 N HIS A 61 64.791 3.644 6.828 1.00 0.00 N ATOM 896 CA HIS A 61 66.159 3.707 6.292 1.00 0.00 C ATOM 897 C HIS A 61 66.176 4.551 5.018 1.00 0.00 C ATOM 898 O HIS A 61 65.189 4.579 4.281 1.00 0.00 O ATOM 899 CB HIS A 61 66.657 2.294 5.990 1.00 0.00 C ATOM 900 CG HIS A 61 66.752 1.521 7.276 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.892 1.536 8.064 1.00 0.00 N ATOM 902 CD2 HIS A 61 65.856 0.710 7.930 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.656 0.758 9.135 1.00 0.00 C ATOM 904 NE2 HIS A 61 66.429 0.229 9.103 1.00 0.00 N ATOM 0 H HIS A 61 64.114 3.214 6.197 1.00 0.00 H new ATOM 0 HA HIS A 61 66.816 4.167 7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 61 65.976 1.795 5.300 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.631 2.335 5.503 1.00 0.00 H new ATOM 0 HD1 HIS A 61 68.754 2.045 7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 61 64.858 0.481 7.586 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.371 0.582 9.925 1.00 0.00 H new ATOM 912 N LEU A 62 67.284 5.253 4.763 1.00 0.00 N ATOM 913 CA LEU A 62 67.367 6.106 3.574 1.00 0.00 C ATOM 914 C LEU A 62 68.817 6.321 3.141 1.00 0.00 C ATOM 915 O LEU A 62 69.602 6.951 3.855 1.00 0.00 O ATOM 916 CB LEU A 62 66.720 7.460 3.892 1.00 0.00 C ATOM 917 CG LEU A 62 66.422 8.242 2.603 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.572 9.467 2.960 1.00 0.00 C ATOM 919 CD2 LEU A 62 67.730 8.697 1.922 1.00 0.00 C ATOM 0 H LEU A 62 68.119 5.249 5.349 1.00 0.00 H new ATOM 0 HA LEU A 62 66.843 5.614 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.796 7.304 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.383 8.043 4.531 1.00 0.00 H new ATOM 0 HG LEU A 62 65.885 7.597 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.352 10.033 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 62 64.639 9.141 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 62 66.120 10.099 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 62 67.494 9.248 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 62 68.289 9.341 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 62 68.332 7.824 1.671 1.00 0.00 H new ATOM 931 N LEU A 63 69.157 5.816 1.951 1.00 0.00 N ATOM 932 CA LEU A 63 70.503 5.985 1.408 1.00 0.00 C ATOM 933 C LEU A 63 70.555 7.311 0.658 1.00 0.00 C ATOM 934 O LEU A 63 69.997 7.436 -0.432 1.00 0.00 O ATOM 935 CB LEU A 63 70.845 4.814 0.450 1.00 0.00 C ATOM 936 CG LEU A 63 72.312 4.343 0.594 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.286 5.535 0.664 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.462 3.461 1.845 1.00 0.00 C ATOM 0 H LEU A 63 68.521 5.291 1.351 1.00 0.00 H new ATOM 0 HA LEU A 63 71.234 5.986 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.176 3.977 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 63 70.666 5.126 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 63 72.565 3.760 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.307 5.166 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 63 73.203 6.127 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 63 73.039 6.157 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.498 3.134 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.181 4.033 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.813 2.590 1.756 1.00 0.00 H new ATOM 950 N THR A 64 71.218 8.298 1.239 1.00 0.00 N ATOM 951 CA THR A 64 71.322 9.604 0.600 1.00 0.00 C ATOM 952 C THR A 64 72.558 9.662 -0.284 1.00 0.00 C ATOM 953 O THR A 64 73.682 9.767 0.207 1.00 0.00 O ATOM 954 CB THR A 64 71.414 10.698 1.665 1.00 0.00 C ATOM 955 OG1 THR A 64 70.228 10.698 2.446 1.00 0.00 O ATOM 956 CG2 THR A 64 71.583 12.059 0.990 1.00 0.00 C ATOM 0 H THR A 64 71.688 8.224 2.141 1.00 0.00 H new ATOM 0 HA THR A 64 70.434 9.762 -0.013 1.00 0.00 H new ATOM 0 HB THR A 64 72.273 10.506 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 64 70.287 11.398 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.648 12.837 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.495 12.058 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.727 12.254 0.344 1.00 0.00 H new ATOM 964 N LEU A 65 72.337 9.601 -1.593 1.00 0.00 N ATOM 965 CA LEU A 65 73.432 9.657 -2.564 1.00 0.00 C ATOM 966 C LEU A 65 73.388 10.983 -3.313 1.00 0.00 C ATOM 967 O LEU A 65 72.412 11.282 -4.000 1.00 0.00 O ATOM 968 CB LEU A 65 73.290 8.501 -3.557 1.00 0.00 C ATOM 969 CG LEU A 65 73.304 7.170 -2.797 1.00 0.00 C ATOM 970 CD1 LEU A 65 73.028 6.024 -3.774 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.673 6.962 -2.119 1.00 0.00 C ATOM 0 H LEU A 65 71.410 9.513 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 65 74.385 9.573 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.361 8.602 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 65 74.104 8.527 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 65 72.531 7.187 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 65 73.038 5.076 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 65 72.052 6.168 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 73.798 6.010 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 65 74.673 6.014 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.456 6.949 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 65 74.859 7.776 -1.418 1.00 0.00 H new ATOM 983 N HIS A 66 74.445 11.783 -3.174 1.00 0.00 N ATOM 984 CA HIS A 66 74.489 13.079 -3.847 1.00 0.00 C ATOM 985 C HIS A 66 74.830 12.906 -5.327 1.00 0.00 C ATOM 986 O HIS A 66 74.291 12.025 -5.997 1.00 0.00 O ATOM 987 CB HIS A 66 75.518 13.998 -3.169 1.00 0.00 C ATOM 988 CG HIS A 66 75.172 15.443 -3.434 1.00 0.00 C ATOM 989 ND1 HIS A 66 75.160 15.983 -4.713 1.00 0.00 N ATOM 990 CD2 HIS A 66 74.818 16.469 -2.594 1.00 0.00 C ATOM 991 CE1 HIS A 66 74.811 17.277 -4.604 1.00 0.00 C ATOM 992 NE2 HIS A 66 74.591 17.625 -3.334 1.00 0.00 N ATOM 0 H HIS A 66 75.267 11.562 -2.612 1.00 0.00 H new ATOM 0 HA HIS A 66 73.504 13.539 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 66 75.534 13.810 -2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 66 76.517 13.780 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 66 74.729 16.391 -1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 66 74.720 17.952 -5.442 1.00 0.00 H new ATOM 0 HE2 HIS A 66 74.316 18.542 -2.982 1.00 0.00 H new ATOM 1000 N LYS A 67 75.717 13.757 -5.835 1.00 0.00 N ATOM 1001 CA LYS A 67 76.104 13.689 -7.241 1.00 0.00 C ATOM 1002 C LYS A 67 76.566 12.280 -7.606 1.00 0.00 C ATOM 1003 O LYS A 67 77.721 11.912 -7.392 1.00 0.00 O ATOM 1004 CB LYS A 67 77.205 14.718 -7.563 1.00 0.00 C ATOM 1005 CG LYS A 67 78.287 14.726 -6.472 1.00 0.00 C ATOM 1006 CD LYS A 67 79.237 15.914 -6.694 1.00 0.00 C ATOM 1007 CE LYS A 67 80.098 15.680 -7.941 1.00 0.00 C ATOM 1008 NZ LYS A 67 81.245 16.634 -7.939 1.00 0.00 N1+ ATOM 0 H LYS A 67 76.177 14.494 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 67 75.227 13.932 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 67 77.657 14.483 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 67 76.765 15.711 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.824 14.797 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 67 78.847 13.791 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 67 78.661 16.833 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 67 79.877 16.045 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 67 80.465 14.654 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 67 79.499 15.817 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 81.830 16.476 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 80.885 17.610 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 81.821 16.482 -7.087 1.00 0.00 H new ATOM 1022 N VAL A 68 75.641 11.498 -8.156 1.00 0.00 N ATOM 1023 CA VAL A 68 75.939 10.125 -8.550 1.00 0.00 C ATOM 1024 C VAL A 68 76.878 10.096 -9.756 1.00 0.00 C ATOM 1025 O VAL A 68 76.983 11.068 -10.504 1.00 0.00 O ATOM 1026 CB VAL A 68 74.633 9.380 -8.882 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.139 9.777 -10.279 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.876 7.867 -8.846 1.00 0.00 C ATOM 0 H VAL A 68 74.681 11.791 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 68 76.436 9.628 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 68 73.879 9.649 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.215 9.244 -10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 68 73.955 10.851 -10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 68 74.896 9.518 -11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 68 73.949 7.344 -9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.638 7.603 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.214 7.576 -7.851 1.00 0.00 H new ATOM 1038 N THR A 69 77.546 8.963 -9.934 1.00 0.00 N ATOM 1039 CA THR A 69 78.472 8.774 -11.047 1.00 0.00 C ATOM 1040 C THR A 69 78.264 7.391 -11.646 1.00 0.00 C ATOM 1041 O THR A 69 77.699 6.511 -10.999 1.00 0.00 O ATOM 1042 CB THR A 69 79.910 8.901 -10.545 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.175 7.852 -9.624 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.096 10.253 -9.852 1.00 0.00 C ATOM 0 H THR A 69 77.463 8.155 -9.317 1.00 0.00 H new ATOM 0 HA THR A 69 78.287 9.533 -11.807 1.00 0.00 H new ATOM 0 HB THR A 69 80.599 8.834 -11.387 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.097 7.927 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.122 10.341 -9.495 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.888 11.056 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 69 79.411 10.326 -9.008 1.00 0.00 H new ATOM 1052 N LEU A 70 78.728 7.187 -12.872 1.00 0.00 N ATOM 1053 CA LEU A 70 78.578 5.882 -13.497 1.00 0.00 C ATOM 1054 C LEU A 70 79.282 4.837 -12.641 1.00 0.00 C ATOM 1055 O LEU A 70 78.916 3.661 -12.640 1.00 0.00 O ATOM 1056 CB LEU A 70 79.169 5.881 -14.918 1.00 0.00 C ATOM 1057 CG LEU A 70 80.548 6.604 -14.942 1.00 0.00 C ATOM 1058 CD1 LEU A 70 81.537 5.832 -15.826 1.00 0.00 C ATOM 1059 CD2 LEU A 70 80.393 8.022 -15.510 1.00 0.00 C ATOM 0 H LEU A 70 79.200 7.890 -13.441 1.00 0.00 H new ATOM 0 HA LEU A 70 77.516 5.647 -13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.285 4.855 -15.268 1.00 0.00 H new ATOM 0 HB3 LEU A 70 78.481 6.376 -15.603 1.00 0.00 H new ATOM 0 HG LEU A 70 80.924 6.652 -13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 70 82.497 6.348 -15.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 81.670 4.825 -15.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 81.148 5.774 -16.842 1.00 0.00 H new ATOM 0 HD21 LEU A 70 81.364 8.517 -15.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 80.002 7.966 -16.526 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.703 8.590 -14.886 1.00 0.00 H new ATOM 1071 N GLU A 71 80.295 5.290 -11.913 1.00 0.00 N ATOM 1072 CA GLU A 71 81.068 4.410 -11.040 1.00 0.00 C ATOM 1073 C GLU A 71 80.253 3.990 -9.820 1.00 0.00 C ATOM 1074 O GLU A 71 80.423 2.889 -9.297 1.00 0.00 O ATOM 1075 CB GLU A 71 82.336 5.126 -10.572 1.00 0.00 C ATOM 1076 CG GLU A 71 83.275 5.337 -11.761 1.00 0.00 C ATOM 1077 CD GLU A 71 84.503 6.132 -11.325 1.00 0.00 C ATOM 1078 OE1 GLU A 71 85.363 6.363 -12.161 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.566 6.498 -10.163 1.00 0.00 O1- ATOM 0 H GLU A 71 80.602 6.263 -11.909 1.00 0.00 H new ATOM 0 HA GLU A 71 81.331 3.518 -11.609 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.079 6.086 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.835 4.538 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.582 4.373 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.753 5.867 -12.557 1.00 0.00 H new ATOM 1086 N ASP A 72 79.385 4.883 -9.360 1.00 0.00 N ATOM 1087 CA ASP A 72 78.565 4.607 -8.185 1.00 0.00 C ATOM 1088 C ASP A 72 77.640 3.420 -8.430 1.00 0.00 C ATOM 1089 O ASP A 72 77.388 2.627 -7.523 1.00 0.00 O ATOM 1090 CB ASP A 72 77.730 5.839 -7.830 1.00 0.00 C ATOM 1091 CG ASP A 72 78.629 6.927 -7.254 1.00 0.00 C ATOM 1092 OD1 ASP A 72 79.760 6.615 -6.920 1.00 0.00 O ATOM 1093 OD2 ASP A 72 78.175 8.055 -7.157 1.00 0.00 O1- ATOM 0 H ASP A 72 79.231 5.800 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 72 79.231 4.364 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 72 77.218 6.210 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 72 76.960 5.571 -7.107 1.00 0.00 H new ATOM 1098 N ALA A 73 77.134 3.304 -9.653 1.00 0.00 N ATOM 1099 CA ALA A 73 76.234 2.208 -9.992 1.00 0.00 C ATOM 1100 C ALA A 73 76.801 0.881 -9.498 1.00 0.00 C ATOM 1101 O ALA A 73 78.013 0.666 -9.518 1.00 0.00 O ATOM 1102 CB ALA A 73 76.035 2.148 -11.507 1.00 0.00 C ATOM 0 H ALA A 73 77.329 3.948 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 73 75.274 2.384 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 73 75.362 1.327 -11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 73 75.605 3.087 -11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 73 76.997 1.987 -11.994 1.00 0.00 H new ATOM 1108 N GLY A 74 75.915 -0.004 -9.049 1.00 0.00 N ATOM 1109 CA GLY A 74 76.339 -1.304 -8.546 1.00 0.00 C ATOM 1110 C GLY A 74 75.165 -2.060 -7.932 1.00 0.00 C ATOM 1111 O GLY A 74 74.022 -1.608 -7.992 1.00 0.00 O ATOM 0 H GLY A 74 74.908 0.155 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.769 -1.890 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.122 -1.172 -7.799 1.00 0.00 H new ATOM 1115 N THR A 75 75.458 -3.222 -7.349 1.00 0.00 N ATOM 1116 CA THR A 75 74.426 -4.058 -6.730 1.00 0.00 C ATOM 1117 C THR A 75 74.510 -4.010 -5.206 1.00 0.00 C ATOM 1118 O THR A 75 75.557 -4.291 -4.627 1.00 0.00 O ATOM 1119 CB THR A 75 74.612 -5.506 -7.191 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.473 -5.569 -8.604 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.562 -6.405 -6.536 1.00 0.00 C ATOM 0 H THR A 75 76.401 -3.607 -7.292 1.00 0.00 H new ATOM 0 HA THR A 75 73.451 -3.677 -7.034 1.00 0.00 H new ATOM 0 HB THR A 75 75.605 -5.850 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.593 -6.494 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.703 -7.433 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.668 -6.358 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.565 -6.065 -6.818 1.00 0.00 H new ATOM 1129 N VAL A 76 73.390 -3.680 -4.560 1.00 0.00 N ATOM 1130 CA VAL A 76 73.334 -3.632 -3.095 1.00 0.00 C ATOM 1131 C VAL A 76 72.723 -4.930 -2.576 1.00 0.00 C ATOM 1132 O VAL A 76 71.710 -5.397 -3.097 1.00 0.00 O ATOM 1133 CB VAL A 76 72.493 -2.439 -2.619 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.790 -2.156 -1.145 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.835 -1.201 -3.449 1.00 0.00 C ATOM 0 H VAL A 76 72.513 -3.443 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 76 74.346 -3.514 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 76 71.436 -2.677 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.192 -1.309 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.542 -3.034 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.848 -1.923 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.236 -0.357 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.893 -0.966 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.621 -1.397 -4.500 1.00 0.00 H new ATOM 1145 N SER A 77 73.354 -5.526 -1.564 1.00 0.00 N ATOM 1146 CA SER A 77 72.876 -6.793 -0.997 1.00 0.00 C ATOM 1147 C SER A 77 72.600 -6.659 0.496 1.00 0.00 C ATOM 1148 O SER A 77 73.184 -5.814 1.178 1.00 0.00 O ATOM 1149 CB SER A 77 73.931 -7.876 -1.221 1.00 0.00 C ATOM 1150 OG SER A 77 73.954 -8.230 -2.597 1.00 0.00 O ATOM 0 H SER A 77 74.194 -5.156 -1.120 1.00 0.00 H new ATOM 0 HA SER A 77 71.945 -7.063 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.911 -7.515 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.706 -8.751 -0.612 1.00 0.00 H new ATOM 0 HG SER A 77 74.631 -8.923 -2.745 1.00 0.00 H new ATOM 1156 N PHE A 78 71.696 -7.506 0.994 1.00 0.00 N ATOM 1157 CA PHE A 78 71.323 -7.497 2.410 1.00 0.00 C ATOM 1158 C PHE A 78 71.289 -8.921 2.957 1.00 0.00 C ATOM 1159 O PHE A 78 70.903 -9.858 2.250 1.00 0.00 O ATOM 1160 CB PHE A 78 69.940 -6.867 2.573 1.00 0.00 C ATOM 1161 CG PHE A 78 69.903 -5.551 1.831 1.00 0.00 C ATOM 1162 CD1 PHE A 78 69.025 -5.374 0.751 1.00 0.00 C ATOM 1163 CD2 PHE A 78 70.752 -4.509 2.218 1.00 0.00 C ATOM 1164 CE1 PHE A 78 68.998 -4.155 0.063 1.00 0.00 C ATOM 1165 CE2 PHE A 78 70.725 -3.291 1.531 1.00 0.00 C ATOM 1166 CZ PHE A 78 69.848 -3.113 0.453 1.00 0.00 C ATOM 0 H PHE A 78 71.208 -8.207 0.437 1.00 0.00 H new ATOM 0 HA PHE A 78 72.063 -6.917 2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 78 69.173 -7.538 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 78 69.721 -6.709 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.370 -6.178 0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.429 -4.645 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.322 -4.018 -0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 78 71.381 -2.487 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.828 -2.172 -0.077 1.00 0.00 H new ATOM 1176 N HIS A 79 71.686 -9.078 4.223 1.00 0.00 N ATOM 1177 CA HIS A 79 71.697 -10.397 4.866 1.00 0.00 C ATOM 1178 C HIS A 79 71.065 -10.327 6.255 1.00 0.00 C ATOM 1179 O HIS A 79 71.605 -9.692 7.159 1.00 0.00 O ATOM 1180 CB HIS A 79 73.139 -10.893 5.000 1.00 0.00 C ATOM 1181 CG HIS A 79 73.802 -10.903 3.649 1.00 0.00 C ATOM 1182 ND1 HIS A 79 74.455 -9.792 3.133 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.932 -11.887 2.701 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.943 -10.134 1.925 1.00 0.00 C ATOM 1185 NE2 HIS A 79 74.652 -11.400 1.613 1.00 0.00 N ATOM 0 H HIS A 79 72.002 -8.314 4.821 1.00 0.00 H new ATOM 0 HA HIS A 79 71.120 -11.084 4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.693 -10.248 5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.150 -11.895 5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 79 73.536 -12.888 2.786 1.00 0.00 H new ATOM 0 HE1 HIS A 79 75.502 -9.466 1.286 1.00 0.00 H new ATOM 0 HE2 HIS A 79 74.903 -11.902 0.761 1.00 0.00 H new ATOM 1193 N VAL A 80 69.920 -10.994 6.422 1.00 0.00 N ATOM 1194 CA VAL A 80 69.215 -11.013 7.713 1.00 0.00 C ATOM 1195 C VAL A 80 69.048 -12.455 8.193 1.00 0.00 C ATOM 1196 O VAL A 80 68.665 -13.332 7.420 1.00 0.00 O ATOM 1197 CB VAL A 80 67.835 -10.345 7.578 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.367 -9.837 8.947 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.927 -9.175 6.591 1.00 0.00 C ATOM 0 H VAL A 80 69.460 -11.527 5.684 1.00 0.00 H new ATOM 0 HA VAL A 80 69.805 -10.457 8.442 1.00 0.00 H new ATOM 0 HB VAL A 80 67.115 -11.074 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.390 -9.365 8.845 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.295 -10.675 9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.083 -9.110 9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.950 -8.702 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.649 -8.445 6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.248 -9.545 5.617 1.00 0.00 H new ATOM 1209 N GLY A 81 69.348 -12.698 9.464 1.00 0.00 N ATOM 1210 CA GLY A 81 69.236 -14.044 10.018 1.00 0.00 C ATOM 1211 C GLY A 81 67.848 -14.637 9.777 1.00 0.00 C ATOM 1212 O GLY A 81 67.605 -15.801 10.096 1.00 0.00 O ATOM 0 H GLY A 81 69.667 -11.990 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.991 -14.688 9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.440 -14.016 11.088 1.00 0.00 H new ATOM 1216 N THR A 82 66.939 -13.836 9.215 1.00 0.00 N ATOM 1217 CA THR A 82 65.573 -14.303 8.939 1.00 0.00 C ATOM 1218 C THR A 82 65.339 -14.469 7.436 1.00 0.00 C ATOM 1219 O THR A 82 64.746 -15.458 7.005 1.00 0.00 O ATOM 1220 CB THR A 82 64.552 -13.309 9.499 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.409 -12.223 8.597 1.00 0.00 O ATOM 1222 CG2 THR A 82 65.022 -12.788 10.859 1.00 0.00 C ATOM 0 H THR A 82 67.119 -12.869 8.943 1.00 0.00 H new ATOM 0 HA THR A 82 65.449 -15.272 9.423 1.00 0.00 H new ATOM 0 HB THR A 82 63.592 -13.811 9.623 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.754 -11.586 8.953 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.290 -12.081 11.251 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.127 -13.623 11.552 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.984 -12.288 10.745 1.00 0.00 H new ATOM 1230 N CYS A 83 65.795 -13.499 6.640 1.00 0.00 N ATOM 1231 CA CYS A 83 65.609 -13.565 5.186 1.00 0.00 C ATOM 1232 C CYS A 83 66.707 -12.795 4.451 1.00 0.00 C ATOM 1233 O CYS A 83 67.440 -12.017 5.056 1.00 0.00 O ATOM 1234 CB CYS A 83 64.243 -12.986 4.813 1.00 0.00 C ATOM 1235 SG CYS A 83 64.061 -12.978 3.012 1.00 0.00 S ATOM 0 H CYS A 83 66.289 -12.670 6.970 1.00 0.00 H new ATOM 0 HA CYS A 83 65.663 -14.611 4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.449 -13.579 5.267 1.00 0.00 H new ATOM 0 HB3 CYS A 83 64.147 -11.973 5.203 1.00 0.00 H new ATOM 0 HG CYS A 83 62.899 -12.488 2.695 1.00 0.00 H new ATOM 1241 N SER A 84 66.811 -13.020 3.136 1.00 0.00 N ATOM 1242 CA SER A 84 67.825 -12.345 2.311 1.00 0.00 C ATOM 1243 C SER A 84 67.186 -11.702 1.082 1.00 0.00 C ATOM 1244 O SER A 84 66.162 -12.173 0.587 1.00 0.00 O ATOM 1245 CB SER A 84 68.879 -13.356 1.858 1.00 0.00 C ATOM 1246 OG SER A 84 69.632 -13.787 2.983 1.00 0.00 O ATOM 0 H SER A 84 66.209 -13.661 2.620 1.00 0.00 H new ATOM 0 HA SER A 84 68.292 -11.566 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.399 -14.209 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.538 -12.904 1.117 1.00 0.00 H new ATOM 0 HG SER A 84 70.307 -14.436 2.695 1.00 0.00 H new ATOM 1252 N SER A 85 67.797 -10.622 0.593 1.00 0.00 N ATOM 1253 CA SER A 85 67.272 -9.923 -0.583 1.00 0.00 C ATOM 1254 C SER A 85 68.362 -9.092 -1.255 1.00 0.00 C ATOM 1255 O SER A 85 69.423 -8.867 -0.679 1.00 0.00 O ATOM 1256 CB SER A 85 66.117 -9.008 -0.179 1.00 0.00 C ATOM 1257 OG SER A 85 66.541 -8.150 0.873 1.00 0.00 O ATOM 0 H SER A 85 68.646 -10.215 0.986 1.00 0.00 H new ATOM 0 HA SER A 85 66.916 -10.673 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.789 -8.418 -1.035 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.263 -9.603 0.144 1.00 0.00 H new ATOM 0 HG SER A 85 65.758 -7.813 1.356 1.00 0.00 H new ATOM 1263 N GLU A 86 68.089 -8.635 -2.476 1.00 0.00 N ATOM 1264 CA GLU A 86 69.053 -7.819 -3.216 1.00 0.00 C ATOM 1265 C GLU A 86 68.340 -6.923 -4.227 1.00 0.00 C ATOM 1266 O GLU A 86 67.142 -7.072 -4.471 1.00 0.00 O ATOM 1267 CB GLU A 86 70.064 -8.710 -3.944 1.00 0.00 C ATOM 1268 CG GLU A 86 69.330 -9.751 -4.790 1.00 0.00 C ATOM 1269 CD GLU A 86 68.762 -10.848 -3.896 1.00 0.00 C ATOM 1270 OE1 GLU A 86 69.380 -11.141 -2.886 1.00 0.00 O ATOM 1271 OE2 GLU A 86 67.722 -11.384 -4.238 1.00 0.00 O1- ATOM 0 H GLU A 86 67.216 -8.813 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 86 69.581 -7.191 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.707 -8.101 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.710 -9.207 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.525 -9.274 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 86 70.013 -10.184 -5.521 1.00 0.00 H new ATOM 1278 N ALA A 87 69.089 -5.990 -4.808 1.00 0.00 N ATOM 1279 CA ALA A 87 68.534 -5.064 -5.792 1.00 0.00 C ATOM 1280 C ALA A 87 69.637 -4.571 -6.724 1.00 0.00 C ATOM 1281 O ALA A 87 70.801 -4.508 -6.333 1.00 0.00 O ATOM 1282 CB ALA A 87 67.892 -3.872 -5.080 1.00 0.00 C ATOM 0 H ALA A 87 70.081 -5.855 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 87 67.776 -5.584 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.480 -3.185 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.093 -4.225 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.645 -3.355 -4.485 1.00 0.00 H new ATOM 1288 N GLN A 88 69.269 -4.226 -7.961 1.00 0.00 N ATOM 1289 CA GLN A 88 70.246 -3.746 -8.946 1.00 0.00 C ATOM 1290 C GLN A 88 69.972 -2.292 -9.331 1.00 0.00 C ATOM 1291 O GLN A 88 68.877 -1.950 -9.786 1.00 0.00 O ATOM 1292 CB GLN A 88 70.187 -4.627 -10.197 1.00 0.00 C ATOM 1293 CG GLN A 88 70.653 -6.041 -9.841 1.00 0.00 C ATOM 1294 CD GLN A 88 70.590 -6.941 -11.070 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.685 -6.810 -11.894 1.00 0.00 O ATOM 1296 NE2 GLN A 88 71.505 -7.856 -11.241 1.00 0.00 N ATOM 0 H GLN A 88 68.309 -4.269 -8.304 1.00 0.00 H new ATOM 0 HA GLN A 88 71.239 -3.801 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 88 69.170 -4.654 -10.589 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.820 -4.209 -10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.672 -6.010 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 88 70.026 -6.450 -9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 88 72.254 -7.962 -10.557 1.00 0.00 H new ATOM 0 HE22 GLN A 88 71.471 -8.464 -12.059 1.00 0.00 H new ATOM 1305 N LEU A 89 70.988 -1.442 -9.154 1.00 0.00 N ATOM 1306 CA LEU A 89 70.877 -0.021 -9.494 1.00 0.00 C ATOM 1307 C LEU A 89 71.686 0.250 -10.755 1.00 0.00 C ATOM 1308 O LEU A 89 72.907 0.106 -10.759 1.00 0.00 O ATOM 1309 CB LEU A 89 71.421 0.831 -8.336 1.00 0.00 C ATOM 1310 CG LEU A 89 70.995 2.305 -8.497 1.00 0.00 C ATOM 1311 CD1 LEU A 89 71.311 3.069 -7.203 1.00 0.00 C ATOM 1312 CD2 LEU A 89 71.740 2.963 -9.675 1.00 0.00 C ATOM 0 H LEU A 89 71.896 -1.714 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 89 69.832 0.237 -9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.052 0.442 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.508 0.763 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 89 69.925 2.339 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 89 71.011 4.111 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.765 2.620 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 89 72.381 3.019 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.424 4.002 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.814 2.925 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 89 71.509 2.428 -10.596 1.00 0.00 H new ATOM 1324 N LYS A 90 70.997 0.631 -11.830 1.00 0.00 N ATOM 1325 CA LYS A 90 71.658 0.910 -13.107 1.00 0.00 C ATOM 1326 C LYS A 90 71.594 2.385 -13.463 1.00 0.00 C ATOM 1327 O LYS A 90 70.684 3.109 -13.052 1.00 0.00 O ATOM 1328 CB LYS A 90 71.007 0.095 -14.223 1.00 0.00 C ATOM 1329 CG LYS A 90 71.346 -1.381 -14.035 1.00 0.00 C ATOM 1330 CD LYS A 90 70.685 -2.193 -15.146 1.00 0.00 C ATOM 1331 CE LYS A 90 70.970 -3.674 -14.923 1.00 0.00 C ATOM 1332 NZ LYS A 90 72.435 -3.914 -15.020 1.00 0.00 N1+ ATOM 0 H LYS A 90 69.984 0.754 -11.844 1.00 0.00 H new ATOM 0 HA LYS A 90 72.706 0.628 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.926 0.236 -14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.361 0.440 -15.195 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.426 -1.524 -14.057 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.999 -1.725 -13.061 1.00 0.00 H new ATOM 0 HD2 LYS A 90 69.610 -2.014 -15.153 1.00 0.00 H new ATOM 0 HD3 LYS A 90 71.066 -1.879 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.604 -3.983 -13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.442 -4.273 -15.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 72.610 -4.922 -15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 72.830 -3.344 -15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 72.891 -3.645 -14.125 1.00 0.00 H new ATOM 1346 N VAL A 91 72.574 2.813 -14.250 1.00 0.00 N ATOM 1347 CA VAL A 91 72.659 4.201 -14.702 1.00 0.00 C ATOM 1348 C VAL A 91 72.628 4.240 -16.223 1.00 0.00 C ATOM 1349 O VAL A 91 73.374 3.523 -16.890 1.00 0.00 O ATOM 1350 CB VAL A 91 73.953 4.840 -14.178 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.210 6.177 -14.886 1.00 0.00 C ATOM 1352 CG2 VAL A 91 73.813 5.085 -12.674 1.00 0.00 C ATOM 0 H VAL A 91 73.327 2.216 -14.592 1.00 0.00 H new ATOM 0 HA VAL A 91 71.810 4.764 -14.314 1.00 0.00 H new ATOM 0 HB VAL A 91 74.789 4.169 -14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.130 6.619 -14.505 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.305 6.008 -15.959 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.377 6.854 -14.698 1.00 0.00 H new ATOM 0 HG21 VAL A 91 74.728 5.539 -12.293 1.00 0.00 H new ATOM 0 HG22 VAL A 91 72.972 5.754 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 91 73.639 4.137 -12.166 1.00 0.00 H new ATOM 1362 N THR A 92 71.753 5.083 -16.764 1.00 0.00 N ATOM 1363 CA THR A 92 71.614 5.220 -18.212 1.00 0.00 C ATOM 1364 C THR A 92 72.354 6.468 -18.679 1.00 0.00 C ATOM 1365 O THR A 92 72.149 7.553 -18.138 1.00 0.00 O ATOM 1366 CB THR A 92 70.126 5.333 -18.577 1.00 0.00 C ATOM 1367 OG1 THR A 92 69.413 4.248 -17.997 1.00 0.00 O ATOM 1368 CG2 THR A 92 69.947 5.304 -20.101 1.00 0.00 C ATOM 0 H THR A 92 71.129 5.682 -16.222 1.00 0.00 H new ATOM 0 HA THR A 92 72.039 4.344 -18.702 1.00 0.00 H new ATOM 0 HB THR A 92 69.739 6.277 -18.193 1.00 0.00 H new ATOM 0 HG1 THR A 92 68.463 4.320 -18.228 1.00 0.00 H new ATOM 0 HG21 THR A 92 68.888 5.385 -20.345 1.00 0.00 H new ATOM 0 HG22 THR A 92 70.487 6.140 -20.547 1.00 0.00 H new ATOM 0 HG23 THR A 92 70.339 4.367 -20.496 1.00 0.00 H new ATOM 1376 N ALA A 93 73.222 6.313 -19.674 1.00 0.00 N ATOM 1377 CA ALA A 93 73.985 7.451 -20.176 1.00 0.00 C ATOM 1378 C ALA A 93 73.043 8.529 -20.697 1.00 0.00 C ATOM 1379 O ALA A 93 72.022 8.230 -21.318 1.00 0.00 O ATOM 1380 CB ALA A 93 74.933 7.010 -21.294 1.00 0.00 C ATOM 0 H ALA A 93 73.413 5.427 -20.142 1.00 0.00 H new ATOM 0 HA ALA A 93 74.574 7.858 -19.354 1.00 0.00 H new ATOM 0 HB1 ALA A 93 75.494 7.872 -21.656 1.00 0.00 H new ATOM 0 HB2 ALA A 93 75.626 6.262 -20.909 1.00 0.00 H new ATOM 0 HB3 ALA A 93 74.355 6.582 -22.113 1.00 0.00 H new ATOM 1386 N GLY A 94 73.391 9.783 -20.434 1.00 0.00 N ATOM 1387 CA GLY A 94 72.569 10.904 -20.874 1.00 0.00 C ATOM 1388 C GLY A 94 73.187 12.231 -20.448 1.00 0.00 C ATOM 1389 O GLY A 94 72.438 13.124 -20.089 1.00 0.00 O ATOM 0 H GLY A 94 74.232 10.048 -19.921 1.00 0.00 H new ATOM 0 HA2 GLY A 94 72.463 10.879 -21.959 1.00 0.00 H new ATOM 0 HA3 GLY A 94 71.567 10.813 -20.454 1.00 0.00 H new TER 1393 GLY A 94