USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 945 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 32 THR OG1 : rot -107:sc= 0.903 USER MOD Set 1.2: A 88 MET CE :methyl 167:sc= -0.512 (180deg=-1.22) USER MOD Set 1.3: A 110 ASN : amide:sc= -3.92! X(o=-3.5!,f=-3.8) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -2.11 X(o=-2.6,f=-2.8) USER MOD Set 2.2: A 108 CYS SG : rot -5:sc= -0.496 USER MOD Set 3.1: A 80 SER OG : rot 140:sc= 0.411 USER MOD Set 3.2: A 82 ASN : amide:sc= 0.548 K(o=0.96,f=-0.092) USER MOD Set 4.1: A 73 SER OG : rot -98:sc= 0.728 USER MOD Set 4.2: A 91 SER OG : rot 180:sc= 0.655 USER MOD Set 5.1: A 5 ASN : amide:sc= 0.506 K(o=0.41,f=-2.7) USER MOD Set 5.2: A 36 GLN : amide:sc= -0.0969 K(o=0.41,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.013 (180deg=0) USER MOD Single : A 3 MET CE :methyl -166:sc= -0.0326 (180deg=-0.317) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.556 USER MOD Single : A 8 GLN : amide:sc= -6.34! K(o=-6.3!,f=-2.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 14 SER OG : rot 102:sc= 0.545 USER MOD Single : A 17 ASN : amide:sc= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0794 X(o=-0.079,f=-0.065) USER MOD Single : A 29 CYS SG : rot -92:sc= 0.186 USER MOD Single : A 35 TYR OH : rot -135:sc= 0.0962 USER MOD Single : A 38 GLN : amide:sc=-0.00382 X(o=-0.0038,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 0.705 (180deg=0.307) USER MOD Single : A 44 ASN : amide:sc= 0.476 K(o=0.48,f=-0.16) USER MOD Single : A 49 CYS SG : rot 88:sc= -0.467 USER MOD Single : A 50 HIS : no HE2:sc= 0.556 K(o=0.56,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= 0.26 K(o=0.26,f=-0.41) USER MOD Single : A 55 GLN : amide:sc= -0.496 K(o=-0.5,f=-3.4!) USER MOD Single : A 60 SER OG : rot 79:sc= 1.24 USER MOD Single : A 62 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.71) USER MOD Single : A 63 GLN : amide:sc= -0.831 K(o=-0.83,f=-5.6!) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= -0.0129 (180deg=-0.132) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.24) USER MOD Single : A 75 MET CE :methyl 149:sc= 0 (180deg=-0.44) USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= 0.252 (180deg=0.161) USER MOD Single : A 83 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.36) USER MOD Single : A 90 THR OG1 : rot -11:sc= -0.763 USER MOD Single : A 92 SER OG : rot 136:sc= -2.82! USER MOD Single : A 94 THR OG1 : rot 29:sc= -0.596 USER MOD Single : A 96 GLN : amide:sc= -2.9! C(o=-2.9!,f=-2.9!) USER MOD Single : A 97 ASN : amide:sc= -3.5! C(o=-3.5!,f=-4.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.0039) USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= -0.102 (180deg=-0.402) USER MOD Single : A 115 ASN : amide:sc= -0.714 K(o=-0.71,f=-6.2!) USER MOD Single : A 116 SER OG : rot 130:sc= -0.132 USER MOD Single : A 117 SER OG : rot -58:sc= 0.11 USER MOD Single : A 118 GLN : amide:sc= -3.32! K(o=-3.3!,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.824 19.070 2.238 1.00 0.00 N ATOM 2 CA GLY A 1 2.596 19.816 2.606 1.00 0.00 C ATOM 3 C GLY A 1 1.385 18.910 2.697 1.00 0.00 C ATOM 4 O GLY A 1 1.256 17.958 1.920 1.00 0.00 O ATOM 0 H1 GLY A 1 4.352 19.604 1.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.420 18.944 3.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.563 18.138 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.748 20.314 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.411 20.595 1.867 1.00 0.00 H new ATOM 10 N ALA A 2 0.500 19.198 3.639 1.00 0.00 N ATOM 11 CA ALA A 2 -0.707 18.409 3.822 1.00 0.00 C ATOM 12 C ALA A 2 -1.883 19.060 3.106 1.00 0.00 C ATOM 13 O ALA A 2 -1.901 20.279 2.914 1.00 0.00 O ATOM 14 CB ALA A 2 -1.013 18.236 5.302 1.00 0.00 C ATOM 0 H ALA A 2 0.597 19.976 4.291 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.542 17.423 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.920 17.643 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.181 17.727 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.158 19.214 5.760 1.00 0.00 H new ATOM 20 N MET A 3 -2.852 18.235 2.706 1.00 0.00 N ATOM 21 CA MET A 3 -4.046 18.696 1.994 1.00 0.00 C ATOM 22 C MET A 3 -3.657 19.393 0.690 1.00 0.00 C ATOM 23 O MET A 3 -4.288 20.365 0.269 1.00 0.00 O ATOM 24 CB MET A 3 -4.887 19.635 2.870 1.00 0.00 C ATOM 25 CG MET A 3 -5.253 19.055 4.229 1.00 0.00 C ATOM 26 SD MET A 3 -6.145 17.488 4.120 1.00 0.00 S ATOM 27 CE MET A 3 -7.644 18.005 3.285 1.00 0.00 C ATOM 0 H MET A 3 -2.832 17.228 2.866 1.00 0.00 H new ATOM 0 HA MET A 3 -4.652 17.822 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.337 20.564 3.020 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.803 19.889 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.343 18.907 4.810 1.00 0.00 H new ATOM 0 HG3 MET A 3 -5.864 19.776 4.771 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.394 17.219 3.364 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.023 18.916 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 3 -7.428 18.195 2.234 1.00 0.00 H new ATOM 37 N ASP A 4 -2.601 18.889 0.068 1.00 0.00 N ATOM 38 CA ASP A 4 -2.099 19.431 -1.190 1.00 0.00 C ATOM 39 C ASP A 4 -2.167 18.357 -2.268 1.00 0.00 C ATOM 40 O ASP A 4 -1.188 17.654 -2.524 1.00 0.00 O ATOM 41 CB ASP A 4 -0.658 19.928 -1.007 1.00 0.00 C ATOM 42 CG ASP A 4 -0.009 20.391 -2.299 1.00 0.00 C ATOM 43 OD1 ASP A 4 -0.514 21.351 -2.914 1.00 0.00 O ATOM 44 OD2 ASP A 4 1.020 19.800 -2.695 1.00 0.00 O ATOM 0 H ASP A 4 -2.067 18.094 0.419 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.716 20.276 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.654 20.751 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.058 19.127 -0.575 1.00 0.00 H new ATOM 49 N ASN A 5 -3.339 18.209 -2.873 1.00 0.00 N ATOM 50 CA ASN A 5 -3.580 17.128 -3.824 1.00 0.00 C ATOM 51 C ASN A 5 -4.918 17.288 -4.545 1.00 0.00 C ATOM 52 O ASN A 5 -5.964 16.862 -4.059 1.00 0.00 O ATOM 53 CB ASN A 5 -3.510 15.768 -3.111 1.00 0.00 C ATOM 54 CG ASN A 5 -4.101 15.785 -1.707 1.00 0.00 C ATOM 55 OD1 ASN A 5 -5.072 16.484 -1.418 1.00 0.00 O ATOM 56 ND2 ASN A 5 -3.494 15.025 -0.812 1.00 0.00 N ATOM 0 H ASN A 5 -4.139 18.824 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.798 17.175 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.038 15.026 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.469 15.450 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.828 15.006 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.692 14.458 -1.085 1.00 0.00 H new ATOM 63 N VAL A 6 -4.869 17.914 -5.711 1.00 0.00 N ATOM 64 CA VAL A 6 -6.051 18.086 -6.544 1.00 0.00 C ATOM 65 C VAL A 6 -5.803 17.505 -7.936 1.00 0.00 C ATOM 66 O VAL A 6 -4.821 17.863 -8.590 1.00 0.00 O ATOM 67 CB VAL A 6 -6.437 19.577 -6.675 1.00 0.00 C ATOM 68 CG1 VAL A 6 -7.693 19.743 -7.516 1.00 0.00 C ATOM 69 CG2 VAL A 6 -6.626 20.205 -5.301 1.00 0.00 C ATOM 0 H VAL A 6 -4.017 18.314 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.873 17.556 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.621 20.093 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.943 20.801 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.519 19.338 -8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.519 19.209 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.897 21.255 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.419 19.681 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.697 20.130 -4.736 1.00 0.00 H new ATOM 79 N CYS A 7 -6.687 16.599 -8.365 1.00 0.00 N ATOM 80 CA CYS A 7 -6.584 15.951 -9.676 1.00 0.00 C ATOM 81 C CYS A 7 -5.247 15.227 -9.821 1.00 0.00 C ATOM 82 O CYS A 7 -4.329 15.708 -10.486 1.00 0.00 O ATOM 83 CB CYS A 7 -6.759 16.978 -10.800 1.00 0.00 C ATOM 84 SG CYS A 7 -8.302 17.914 -10.710 1.00 0.00 S ATOM 0 H CYS A 7 -7.491 16.295 -7.816 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.383 15.213 -9.752 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.922 17.675 -10.774 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.715 16.462 -11.759 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.357 18.756 -11.699 1.00 0.00 H new ATOM 90 N GLN A 8 -5.144 14.064 -9.201 1.00 0.00 N ATOM 91 CA GLN A 8 -3.888 13.333 -9.164 1.00 0.00 C ATOM 92 C GLN A 8 -4.015 11.994 -9.889 1.00 0.00 C ATOM 93 O GLN A 8 -5.107 11.435 -9.985 1.00 0.00 O ATOM 94 CB GLN A 8 -3.455 13.106 -7.710 1.00 0.00 C ATOM 95 CG GLN A 8 -3.362 14.375 -6.863 1.00 0.00 C ATOM 96 CD GLN A 8 -2.228 15.314 -7.263 1.00 0.00 C ATOM 97 OE1 GLN A 8 -1.646 15.984 -6.413 1.00 0.00 O ATOM 98 NE2 GLN A 8 -1.934 15.406 -8.551 1.00 0.00 N ATOM 0 H GLN A 8 -5.915 13.605 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.130 13.927 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.161 12.422 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.483 12.613 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.307 14.914 -6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.233 14.092 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.436 14.835 -9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.205 16.048 -8.863 1.00 0.00 H new ATOM 107 N PRO A 9 -2.897 11.490 -10.440 1.00 0.00 N ATOM 108 CA PRO A 9 -2.837 10.156 -11.060 1.00 0.00 C ATOM 109 C PRO A 9 -3.217 9.044 -10.083 1.00 0.00 C ATOM 110 O PRO A 9 -3.074 9.199 -8.871 1.00 0.00 O ATOM 111 CB PRO A 9 -1.366 10.016 -11.468 1.00 0.00 C ATOM 112 CG PRO A 9 -0.862 11.411 -11.570 1.00 0.00 C ATOM 113 CD PRO A 9 -1.608 12.193 -10.530 1.00 0.00 C ATOM 0 HA PRO A 9 -3.537 10.065 -11.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.804 9.446 -10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.268 9.490 -12.418 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.213 11.452 -11.394 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.037 11.818 -12.566 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.083 12.195 -9.575 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.737 13.234 -10.825 1.00 0.00 H new ATOM 121 N THR A 10 -3.676 7.916 -10.616 1.00 0.00 N ATOM 122 CA THR A 10 -4.179 6.825 -9.788 1.00 0.00 C ATOM 123 C THR A 10 -3.074 5.895 -9.296 1.00 0.00 C ATOM 124 O THR A 10 -3.347 4.857 -8.685 1.00 0.00 O ATOM 125 CB THR A 10 -5.244 6.013 -10.538 1.00 0.00 C ATOM 126 OG1 THR A 10 -4.962 6.012 -11.944 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.629 6.585 -10.284 1.00 0.00 C ATOM 0 H THR A 10 -3.710 7.733 -11.619 1.00 0.00 H new ATOM 0 HA THR A 10 -4.627 7.292 -8.911 1.00 0.00 H new ATOM 0 HB THR A 10 -5.220 4.987 -10.170 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.645 5.490 -12.414 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.370 5.996 -10.824 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.846 6.551 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.665 7.618 -10.629 1.00 0.00 H new ATOM 135 N GLU A 11 -1.838 6.273 -9.556 1.00 0.00 N ATOM 136 CA GLU A 11 -0.689 5.573 -9.003 1.00 0.00 C ATOM 137 C GLU A 11 -0.173 6.351 -7.809 1.00 0.00 C ATOM 138 O GLU A 11 -0.199 7.577 -7.826 1.00 0.00 O ATOM 139 CB GLU A 11 0.445 5.452 -10.026 1.00 0.00 C ATOM 140 CG GLU A 11 0.174 4.499 -11.174 1.00 0.00 C ATOM 141 CD GLU A 11 1.408 4.288 -12.030 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.674 5.125 -12.922 1.00 0.00 O ATOM 143 OE2 GLU A 11 2.133 3.297 -11.802 1.00 0.00 O ATOM 0 H GLU A 11 -1.600 7.067 -10.151 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.007 4.570 -8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.652 6.441 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.347 5.126 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.164 3.541 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.634 4.892 -11.791 1.00 0.00 H new ATOM 150 N PHE A 12 0.291 5.666 -6.780 1.00 0.00 N ATOM 151 CA PHE A 12 0.926 6.379 -5.675 1.00 0.00 C ATOM 152 C PHE A 12 2.112 5.610 -5.126 1.00 0.00 C ATOM 153 O PHE A 12 2.185 4.384 -5.239 1.00 0.00 O ATOM 154 CB PHE A 12 -0.069 6.774 -4.549 1.00 0.00 C ATOM 155 CG PHE A 12 -0.649 5.658 -3.694 1.00 0.00 C ATOM 156 CD1 PHE A 12 0.162 4.840 -2.917 1.00 0.00 C ATOM 157 CD2 PHE A 12 -2.022 5.461 -3.639 1.00 0.00 C ATOM 158 CE1 PHE A 12 -0.383 3.846 -2.118 1.00 0.00 C ATOM 159 CE2 PHE A 12 -2.572 4.473 -2.837 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.750 3.664 -2.078 1.00 0.00 C ATOM 0 H PHE A 12 0.246 4.652 -6.681 1.00 0.00 H new ATOM 0 HA PHE A 12 1.296 7.315 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.437 7.476 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.899 7.311 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.233 4.980 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.673 6.088 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.263 3.214 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.643 4.336 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.176 2.891 -1.455 1.00 0.00 H new ATOM 170 N ILE A 13 3.053 6.349 -4.562 1.00 0.00 N ATOM 171 CA ILE A 13 4.220 5.763 -3.930 1.00 0.00 C ATOM 172 C ILE A 13 4.153 6.014 -2.432 1.00 0.00 C ATOM 173 O ILE A 13 3.927 7.139 -1.992 1.00 0.00 O ATOM 174 CB ILE A 13 5.534 6.358 -4.490 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.621 6.143 -6.005 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.746 5.748 -3.795 1.00 0.00 C ATOM 177 CD1 ILE A 13 5.604 4.686 -6.420 1.00 0.00 C ATOM 0 H ILE A 13 3.029 7.368 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 13 4.219 4.694 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 13 5.531 7.430 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.787 6.657 -6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.536 6.606 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.658 6.182 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.695 5.955 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.753 4.670 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.669 4.616 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.453 4.170 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.678 4.222 -6.081 1.00 0.00 H new ATOM 189 N SER A 14 4.302 4.966 -1.649 1.00 0.00 N ATOM 190 CA SER A 14 4.271 5.102 -0.207 1.00 0.00 C ATOM 191 C SER A 14 5.287 4.183 0.449 1.00 0.00 C ATOM 192 O SER A 14 5.625 3.126 -0.085 1.00 0.00 O ATOM 193 CB SER A 14 2.865 4.805 0.318 1.00 0.00 C ATOM 194 OG SER A 14 1.917 5.674 -0.277 1.00 0.00 O ATOM 0 H SER A 14 4.445 4.014 -1.985 1.00 0.00 H new ATOM 0 HA SER A 14 4.534 6.129 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.602 3.769 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.843 4.921 1.402 1.00 0.00 H new ATOM 0 HG SER A 14 1.429 5.195 -0.979 1.00 0.00 H new ATOM 200 N ARG A 15 5.790 4.602 1.594 1.00 0.00 N ATOM 201 CA ARG A 15 6.704 3.792 2.368 1.00 0.00 C ATOM 202 C ARG A 15 6.015 3.368 3.655 1.00 0.00 C ATOM 203 O ARG A 15 5.490 4.204 4.393 1.00 0.00 O ATOM 204 CB ARG A 15 7.989 4.569 2.674 1.00 0.00 C ATOM 205 CG ARG A 15 8.652 5.162 1.438 1.00 0.00 C ATOM 206 CD ARG A 15 10.017 5.747 1.755 1.00 0.00 C ATOM 207 NE ARG A 15 9.972 6.722 2.845 1.00 0.00 N ATOM 208 CZ ARG A 15 10.981 7.538 3.151 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.080 7.547 2.404 1.00 0.00 N ATOM 210 NH2 ARG A 15 10.882 8.360 4.189 1.00 0.00 N ATOM 0 H ARG A 15 5.577 5.509 2.010 1.00 0.00 H new ATOM 0 HA ARG A 15 6.981 2.907 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.760 5.373 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.696 3.905 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.756 4.390 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.012 5.939 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.701 4.941 2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.420 6.224 0.862 1.00 0.00 H new ATOM 0 HE ARG A 15 9.120 6.781 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.152 6.929 1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.851 8.172 2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.033 8.368 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.655 8.983 4.421 1.00 0.00 H new ATOM 224 N HIS A 16 5.990 2.072 3.906 1.00 0.00 N ATOM 225 CA HIS A 16 5.311 1.538 5.070 1.00 0.00 C ATOM 226 C HIS A 16 6.134 0.426 5.685 1.00 0.00 C ATOM 227 O HIS A 16 6.794 -0.323 4.978 1.00 0.00 O ATOM 228 CB HIS A 16 3.897 1.043 4.701 1.00 0.00 C ATOM 229 CG HIS A 16 3.834 -0.159 3.799 1.00 0.00 C ATOM 230 ND1 HIS A 16 2.753 -1.015 3.781 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.699 -0.638 2.876 1.00 0.00 C ATOM 232 CE1 HIS A 16 2.959 -1.968 2.892 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.133 -1.764 2.326 1.00 0.00 N ATOM 0 H HIS A 16 6.434 1.368 3.316 1.00 0.00 H new ATOM 0 HA HIS A 16 5.200 2.334 5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.363 0.810 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.361 1.862 4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.658 -0.214 2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.281 -2.778 2.666 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.552 -2.346 1.600 1.00 0.00 H new ATOM 242 N ASN A 17 6.097 0.312 6.998 1.00 0.00 N ATOM 243 CA ASN A 17 6.899 -0.683 7.680 1.00 0.00 C ATOM 244 C ASN A 17 6.200 -2.037 7.582 1.00 0.00 C ATOM 245 O ASN A 17 5.039 -2.087 7.162 1.00 0.00 O ATOM 246 CB ASN A 17 7.168 -0.262 9.132 1.00 0.00 C ATOM 247 CG ASN A 17 5.999 -0.482 10.063 1.00 0.00 C ATOM 248 OD1 ASN A 17 4.852 -0.570 9.633 1.00 0.00 O ATOM 249 ND2 ASN A 17 6.286 -0.552 11.349 1.00 0.00 N ATOM 0 H ASN A 17 5.524 0.892 7.610 1.00 0.00 H new ATOM 0 HA ASN A 17 7.874 -0.770 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.027 -0.818 9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.439 0.794 9.149 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.540 -0.684 12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.254 -0.474 11.660 1.00 0.00 H new ATOM 256 N ILE A 18 6.883 -3.102 7.999 1.00 0.00 N ATOM 257 CA ILE A 18 6.509 -4.475 7.639 1.00 0.00 C ATOM 258 C ILE A 18 5.076 -4.847 8.037 1.00 0.00 C ATOM 259 O ILE A 18 4.440 -5.662 7.371 1.00 0.00 O ATOM 260 CB ILE A 18 7.490 -5.518 8.235 1.00 0.00 C ATOM 261 CG1 ILE A 18 7.332 -5.625 9.751 1.00 0.00 C ATOM 262 CG2 ILE A 18 8.923 -5.147 7.886 1.00 0.00 C ATOM 263 CD1 ILE A 18 8.158 -6.724 10.384 1.00 0.00 C ATOM 0 H ILE A 18 7.709 -3.041 8.594 1.00 0.00 H new ATOM 0 HA ILE A 18 6.567 -4.500 6.551 1.00 0.00 H new ATOM 0 HB ILE A 18 7.253 -6.489 7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.609 -4.672 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.281 -5.795 9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.604 -5.886 8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.040 -5.125 6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.154 -4.164 8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.989 -6.732 11.461 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.867 -7.686 9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.215 -6.546 10.184 1.00 0.00 H new ATOM 275 N GLU A 19 4.567 -4.254 9.104 1.00 0.00 N ATOM 276 CA GLU A 19 3.215 -4.561 9.556 1.00 0.00 C ATOM 277 C GLU A 19 2.187 -3.798 8.721 1.00 0.00 C ATOM 278 O GLU A 19 0.979 -3.929 8.922 1.00 0.00 O ATOM 279 CB GLU A 19 3.055 -4.219 11.036 1.00 0.00 C ATOM 280 CG GLU A 19 4.271 -4.574 11.876 1.00 0.00 C ATOM 281 CD GLU A 19 5.237 -3.419 12.013 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.032 -2.576 12.913 1.00 0.00 O ATOM 283 OE2 GLU A 19 6.196 -3.344 11.221 1.00 0.00 O ATOM 0 H GLU A 19 5.061 -3.564 9.670 1.00 0.00 H new ATOM 0 HA GLU A 19 3.044 -5.630 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.854 -3.152 11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.185 -4.745 11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.945 -4.890 12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.786 -5.422 11.424 1.00 0.00 H new ATOM 290 N GLY A 20 2.671 -2.999 7.781 1.00 0.00 N ATOM 291 CA GLY A 20 1.791 -2.270 6.906 1.00 0.00 C ATOM 292 C GLY A 20 1.480 -0.881 7.415 1.00 0.00 C ATOM 293 O GLY A 20 0.428 -0.332 7.092 1.00 0.00 O ATOM 0 H GLY A 20 3.665 -2.845 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.246 -2.197 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.861 -2.826 6.788 1.00 0.00 H new ATOM 297 N ILE A 21 2.391 -0.299 8.194 1.00 0.00 N ATOM 298 CA ILE A 21 2.172 1.041 8.752 1.00 0.00 C ATOM 299 C ILE A 21 2.829 2.091 7.870 1.00 0.00 C ATOM 300 O ILE A 21 4.043 2.074 7.679 1.00 0.00 O ATOM 301 CB ILE A 21 2.733 1.179 10.188 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.057 0.184 11.134 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.568 2.606 10.701 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.585 0.448 11.338 1.00 0.00 C ATOM 0 H ILE A 21 3.280 -0.727 8.453 1.00 0.00 H new ATOM 0 HA ILE A 21 1.093 1.193 8.789 1.00 0.00 H new ATOM 0 HB ILE A 21 3.798 0.950 10.157 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.185 -0.824 10.740 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.560 0.215 12.100 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.970 2.678 11.712 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.106 3.292 10.047 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.510 2.869 10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.173 -0.296 12.020 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.449 1.443 11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.068 0.388 10.380 1.00 0.00 H new ATOM 316 N PHE A 22 2.029 3.002 7.339 1.00 0.00 N ATOM 317 CA PHE A 22 2.532 4.009 6.416 1.00 0.00 C ATOM 318 C PHE A 22 3.224 5.144 7.160 1.00 0.00 C ATOM 319 O PHE A 22 2.637 5.773 8.043 1.00 0.00 O ATOM 320 CB PHE A 22 1.395 4.560 5.558 1.00 0.00 C ATOM 321 CG PHE A 22 0.775 3.529 4.662 1.00 0.00 C ATOM 322 CD1 PHE A 22 -0.256 2.727 5.120 1.00 0.00 C ATOM 323 CD2 PHE A 22 1.226 3.362 3.364 1.00 0.00 C ATOM 324 CE1 PHE A 22 -0.826 1.776 4.300 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.659 2.411 2.537 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.369 1.617 3.005 1.00 0.00 C ATOM 0 H PHE A 22 1.029 3.066 7.531 1.00 0.00 H new ATOM 0 HA PHE A 22 3.267 3.531 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.626 4.975 6.209 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.774 5.381 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.618 2.847 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.029 3.981 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.629 1.156 4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.019 2.289 1.526 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.815 0.874 2.361 1.00 0.00 H new ATOM 336 N THR A 23 4.475 5.388 6.802 1.00 0.00 N ATOM 337 CA THR A 23 5.246 6.467 7.397 1.00 0.00 C ATOM 338 C THR A 23 5.379 7.640 6.429 1.00 0.00 C ATOM 339 O THR A 23 5.532 8.792 6.844 1.00 0.00 O ATOM 340 CB THR A 23 6.644 5.980 7.821 1.00 0.00 C ATOM 341 OG1 THR A 23 7.255 5.246 6.751 1.00 0.00 O ATOM 342 CG2 THR A 23 6.556 5.104 9.062 1.00 0.00 C ATOM 0 H THR A 23 4.980 4.850 6.098 1.00 0.00 H new ATOM 0 HA THR A 23 4.709 6.802 8.284 1.00 0.00 H new ATOM 0 HB THR A 23 7.254 6.852 8.054 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.144 4.942 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.555 4.771 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.120 5.676 9.881 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.930 4.237 8.851 1.00 0.00 H new ATOM 350 N PHE A 24 5.318 7.343 5.136 1.00 0.00 N ATOM 351 CA PHE A 24 5.358 8.372 4.105 1.00 0.00 C ATOM 352 C PHE A 24 4.422 8.008 2.965 1.00 0.00 C ATOM 353 O PHE A 24 4.530 6.924 2.393 1.00 0.00 O ATOM 354 CB PHE A 24 6.781 8.558 3.571 1.00 0.00 C ATOM 355 CG PHE A 24 6.866 9.525 2.423 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.708 10.886 2.633 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.094 9.072 1.132 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.775 11.776 1.577 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.160 9.957 0.073 1.00 0.00 C ATOM 360 CZ PHE A 24 7.002 11.310 0.297 1.00 0.00 C ATOM 0 H PHE A 24 5.240 6.392 4.776 1.00 0.00 H new ATOM 0 HA PHE A 24 5.032 9.312 4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.422 8.909 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.171 7.591 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.531 11.255 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.221 8.015 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.650 12.834 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.335 9.591 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.056 12.004 -0.529 1.00 0.00 H new ATOM 370 N VAL A 25 3.508 8.910 2.639 1.00 0.00 N ATOM 371 CA VAL A 25 2.552 8.680 1.563 1.00 0.00 C ATOM 372 C VAL A 25 2.553 9.845 0.576 1.00 0.00 C ATOM 373 O VAL A 25 2.544 11.013 0.979 1.00 0.00 O ATOM 374 CB VAL A 25 1.120 8.484 2.105 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.128 8.345 0.961 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.047 7.272 3.022 1.00 0.00 C ATOM 0 H VAL A 25 3.407 9.811 3.105 1.00 0.00 H new ATOM 0 HA VAL A 25 2.864 7.768 1.054 1.00 0.00 H new ATOM 0 HB VAL A 25 0.856 9.367 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.875 8.208 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.152 9.245 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.395 7.482 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.028 7.156 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.337 6.379 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.724 7.412 3.865 1.00 0.00 H new ATOM 386 N ASP A 26 2.584 9.520 -0.712 1.00 0.00 N ATOM 387 CA ASP A 26 2.484 10.513 -1.774 1.00 0.00 C ATOM 388 C ASP A 26 1.045 10.994 -1.939 1.00 0.00 C ATOM 389 O ASP A 26 0.089 10.260 -1.692 1.00 0.00 O ATOM 390 CB ASP A 26 3.005 9.929 -3.091 1.00 0.00 C ATOM 391 CG ASP A 26 2.703 10.816 -4.282 1.00 0.00 C ATOM 392 OD1 ASP A 26 3.027 12.023 -4.229 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.134 10.313 -5.269 1.00 0.00 O ATOM 0 H ASP A 26 2.679 8.562 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 26 3.097 11.371 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.082 9.781 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.558 8.948 -3.251 1.00 0.00 H new ATOM 398 N HIS A 27 0.924 12.248 -2.360 1.00 0.00 N ATOM 399 CA HIS A 27 -0.346 12.975 -2.429 1.00 0.00 C ATOM 400 C HIS A 27 -1.409 12.246 -3.237 1.00 0.00 C ATOM 401 O HIS A 27 -2.601 12.444 -3.006 1.00 0.00 O ATOM 402 CB HIS A 27 -0.119 14.342 -3.067 1.00 0.00 C ATOM 403 CG HIS A 27 0.917 15.181 -2.384 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.150 15.449 -2.937 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.889 15.831 -1.200 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.836 16.224 -2.121 1.00 0.00 C ATOM 407 NE2 HIS A 27 2.096 16.477 -1.057 1.00 0.00 N ATOM 0 H HIS A 27 1.722 12.803 -2.670 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.706 13.065 -1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.175 14.199 -4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.063 14.887 -3.074 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.070 15.842 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.837 16.591 -2.294 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.372 17.054 -0.263 1.00 0.00 H new ATOM 416 N ARG A 28 -0.979 11.416 -4.176 1.00 0.00 N ATOM 417 CA ARG A 28 -1.899 10.739 -5.084 1.00 0.00 C ATOM 418 C ARG A 28 -2.716 9.667 -4.368 1.00 0.00 C ATOM 419 O ARG A 28 -3.578 9.030 -4.970 1.00 0.00 O ATOM 420 CB ARG A 28 -1.119 10.130 -6.242 1.00 0.00 C ATOM 421 CG ARG A 28 -0.370 11.160 -7.067 1.00 0.00 C ATOM 422 CD ARG A 28 0.600 10.498 -8.023 1.00 0.00 C ATOM 423 NE ARG A 28 1.359 11.473 -8.803 1.00 0.00 N ATOM 424 CZ ARG A 28 2.666 11.672 -8.663 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.316 11.133 -7.639 1.00 0.00 N ATOM 426 NH2 ARG A 28 3.302 12.471 -9.510 1.00 0.00 N ATOM 0 H ARG A 28 0.004 11.193 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.602 11.478 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.409 9.402 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.808 9.587 -6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.081 11.766 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.172 11.835 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.290 9.869 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.051 9.843 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 28 0.858 12.032 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.813 10.565 -6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.319 11.287 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.788 12.928 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.305 12.628 -9.408 1.00 0.00 H new ATOM 440 N CYS A 29 -2.448 9.479 -3.080 1.00 0.00 N ATOM 441 CA CYS A 29 -3.228 8.566 -2.256 1.00 0.00 C ATOM 442 C CYS A 29 -4.703 8.951 -2.283 1.00 0.00 C ATOM 443 O CYS A 29 -5.585 8.089 -2.294 1.00 0.00 O ATOM 444 CB CYS A 29 -2.702 8.579 -0.821 1.00 0.00 C ATOM 445 SG CYS A 29 -3.512 7.397 0.280 1.00 0.00 S ATOM 0 H CYS A 29 -1.692 9.950 -2.583 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.128 7.558 -2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.633 8.369 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.824 9.582 -0.411 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.515 7.973 0.873 1.00 0.00 H new ATOM 451 N VAL A 30 -4.959 10.251 -2.331 1.00 0.00 N ATOM 452 CA VAL A 30 -6.319 10.759 -2.325 1.00 0.00 C ATOM 453 C VAL A 30 -7.006 10.449 -3.646 1.00 0.00 C ATOM 454 O VAL A 30 -8.223 10.288 -3.710 1.00 0.00 O ATOM 455 CB VAL A 30 -6.352 12.280 -2.064 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.497 12.618 -0.859 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.892 13.069 -3.283 1.00 0.00 C ATOM 0 H VAL A 30 -4.239 10.972 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.853 10.262 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.385 12.564 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.526 13.693 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.881 12.096 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.468 12.309 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.929 14.136 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.870 12.786 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.547 12.851 -4.126 1.00 0.00 H new ATOM 467 N ALA A 31 -6.204 10.344 -4.693 1.00 0.00 N ATOM 468 CA ALA A 31 -6.722 10.087 -6.022 1.00 0.00 C ATOM 469 C ALA A 31 -7.157 8.638 -6.161 1.00 0.00 C ATOM 470 O ALA A 31 -8.255 8.353 -6.637 1.00 0.00 O ATOM 471 CB ALA A 31 -5.675 10.427 -7.064 1.00 0.00 C ATOM 0 H ALA A 31 -5.189 10.433 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.595 10.720 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.074 10.230 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.409 11.481 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.788 9.815 -6.902 1.00 0.00 H new ATOM 477 N THR A 32 -6.276 7.725 -5.775 1.00 0.00 N ATOM 478 CA THR A 32 -6.572 6.308 -5.842 1.00 0.00 C ATOM 479 C THR A 32 -7.651 5.885 -4.848 1.00 0.00 C ATOM 480 O THR A 32 -8.651 5.288 -5.236 1.00 0.00 O ATOM 481 CB THR A 32 -5.309 5.480 -5.567 1.00 0.00 C ATOM 482 OG1 THR A 32 -4.207 6.014 -6.311 1.00 0.00 O ATOM 483 CG2 THR A 32 -5.523 4.025 -5.949 1.00 0.00 C ATOM 0 H THR A 32 -5.349 7.946 -5.412 1.00 0.00 H new ATOM 0 HA THR A 32 -6.941 6.122 -6.851 1.00 0.00 H new ATOM 0 HB THR A 32 -5.091 5.531 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.997 5.416 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.615 3.458 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.346 3.613 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.762 3.959 -7.011 1.00 0.00 H new ATOM 491 N VAL A 33 -7.461 6.199 -3.570 1.00 0.00 N ATOM 492 CA VAL A 33 -8.304 5.619 -2.529 1.00 0.00 C ATOM 493 C VAL A 33 -8.886 6.676 -1.599 1.00 0.00 C ATOM 494 O VAL A 33 -9.274 6.370 -0.476 1.00 0.00 O ATOM 495 CB VAL A 33 -7.532 4.575 -1.693 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.150 3.385 -2.556 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.295 5.193 -1.058 1.00 0.00 C ATOM 0 H VAL A 33 -6.743 6.841 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.127 5.128 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.185 4.229 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.606 2.658 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.052 2.922 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.517 3.720 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.769 4.437 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.636 5.572 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.593 6.013 -0.405 1.00 0.00 H new ATOM 507 N GLY A 34 -8.940 7.913 -2.064 1.00 0.00 N ATOM 508 CA GLY A 34 -9.595 8.969 -1.305 1.00 0.00 C ATOM 509 C GLY A 34 -8.826 9.433 -0.073 1.00 0.00 C ATOM 510 O GLY A 34 -8.948 10.591 0.331 1.00 0.00 O ATOM 0 H GLY A 34 -8.543 8.211 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.755 9.825 -1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.579 8.618 -0.993 1.00 0.00 H new ATOM 514 N TYR A 35 -8.053 8.539 0.532 1.00 0.00 N ATOM 515 CA TYR A 35 -7.356 8.851 1.771 1.00 0.00 C ATOM 516 C TYR A 35 -6.218 9.815 1.531 1.00 0.00 C ATOM 517 O TYR A 35 -5.469 9.688 0.570 1.00 0.00 O ATOM 518 CB TYR A 35 -6.793 7.591 2.434 1.00 0.00 C ATOM 519 CG TYR A 35 -7.840 6.614 2.912 1.00 0.00 C ATOM 520 CD1 TYR A 35 -9.084 7.055 3.338 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.575 5.251 2.960 1.00 0.00 C ATOM 522 CE1 TYR A 35 -10.037 6.170 3.798 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.523 4.357 3.415 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.754 4.822 3.833 1.00 0.00 C ATOM 525 OH TYR A 35 -10.704 3.938 4.291 1.00 0.00 O ATOM 0 H TYR A 35 -7.894 7.593 0.184 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.092 9.308 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.138 7.084 1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.176 7.887 3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.311 8.111 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.612 4.885 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.999 6.532 4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.303 3.300 3.444 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.284 3.292 4.896 1.00 0.00 H new ATOM 535 N GLN A 36 -6.089 10.768 2.427 1.00 0.00 N ATOM 536 CA GLN A 36 -4.968 11.677 2.405 1.00 0.00 C ATOM 537 C GLN A 36 -3.747 10.960 2.945 1.00 0.00 C ATOM 538 O GLN A 36 -3.895 10.026 3.734 1.00 0.00 O ATOM 539 CB GLN A 36 -5.253 12.908 3.272 1.00 0.00 C ATOM 540 CG GLN A 36 -6.336 13.823 2.732 1.00 0.00 C ATOM 541 CD GLN A 36 -5.809 14.772 1.673 1.00 0.00 C ATOM 542 OE1 GLN A 36 -4.632 15.142 1.688 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.670 15.179 0.756 1.00 0.00 N ATOM 0 H GLN A 36 -6.752 10.933 3.184 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.796 12.005 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.541 12.575 4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.332 13.481 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.141 13.221 2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.765 14.399 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.635 14.849 0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.370 15.823 0.025 1.00 0.00 H new ATOM 552 N PRO A 37 -2.539 11.357 2.535 1.00 0.00 N ATOM 553 CA PRO A 37 -1.311 10.790 3.091 1.00 0.00 C ATOM 554 C PRO A 37 -1.366 10.762 4.614 1.00 0.00 C ATOM 555 O PRO A 37 -1.128 9.733 5.242 1.00 0.00 O ATOM 556 CB PRO A 37 -0.236 11.758 2.600 1.00 0.00 C ATOM 557 CG PRO A 37 -0.777 12.286 1.317 1.00 0.00 C ATOM 558 CD PRO A 37 -2.268 12.367 1.499 1.00 0.00 C ATOM 0 HA PRO A 37 -1.134 9.759 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.063 12.559 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.718 11.252 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.358 13.266 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.520 11.630 0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.581 13.362 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.799 12.146 0.573 1.00 0.00 H new ATOM 566 N GLN A 38 -1.750 11.901 5.180 1.00 0.00 N ATOM 567 CA GLN A 38 -1.896 12.052 6.622 1.00 0.00 C ATOM 568 C GLN A 38 -2.862 11.009 7.188 1.00 0.00 C ATOM 569 O GLN A 38 -2.573 10.371 8.198 1.00 0.00 O ATOM 570 CB GLN A 38 -2.405 13.457 6.948 1.00 0.00 C ATOM 571 CG GLN A 38 -1.532 14.575 6.395 1.00 0.00 C ATOM 572 CD GLN A 38 -0.166 14.635 7.050 1.00 0.00 C ATOM 573 OE1 GLN A 38 0.018 15.300 8.069 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.805 13.950 6.469 1.00 0.00 N ATOM 0 H GLN A 38 -1.969 12.745 4.651 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.919 11.901 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.414 13.568 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.474 13.565 8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.409 14.436 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.039 15.529 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.614 13.410 5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.745 13.962 6.865 1.00 0.00 H new ATOM 583 N GLU A 39 -3.989 10.817 6.498 1.00 0.00 N ATOM 584 CA GLU A 39 -5.047 9.913 6.955 1.00 0.00 C ATOM 585 C GLU A 39 -4.527 8.492 7.107 1.00 0.00 C ATOM 586 O GLU A 39 -4.972 7.743 7.980 1.00 0.00 O ATOM 587 CB GLU A 39 -6.209 9.910 5.956 1.00 0.00 C ATOM 588 CG GLU A 39 -7.018 11.194 5.938 1.00 0.00 C ATOM 589 CD GLU A 39 -7.926 11.322 7.141 1.00 0.00 C ATOM 590 OE1 GLU A 39 -7.462 11.801 8.195 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.114 10.943 7.036 1.00 0.00 O ATOM 0 H GLU A 39 -4.193 11.280 5.613 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.391 10.271 7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.814 9.729 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.873 9.079 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.340 12.047 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.618 11.229 5.028 1.00 0.00 H new ATOM 598 N LEU A 40 -3.588 8.135 6.250 1.00 0.00 N ATOM 599 CA LEU A 40 -3.081 6.780 6.187 1.00 0.00 C ATOM 600 C LEU A 40 -1.894 6.591 7.139 1.00 0.00 C ATOM 601 O LEU A 40 -1.619 5.476 7.587 1.00 0.00 O ATOM 602 CB LEU A 40 -2.679 6.487 4.740 1.00 0.00 C ATOM 603 CG LEU A 40 -2.626 5.014 4.343 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.935 4.318 4.683 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.338 4.895 2.855 1.00 0.00 C ATOM 0 H LEU A 40 -3.158 8.774 5.582 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.855 6.081 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.381 6.995 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.698 6.926 4.561 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.827 4.528 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.876 3.269 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.116 4.387 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.753 4.798 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.301 3.842 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.126 5.393 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.380 5.364 2.631 1.00 0.00 H new ATOM 617 N LEU A 41 -1.201 7.685 7.447 1.00 0.00 N ATOM 618 CA LEU A 41 -0.034 7.630 8.328 1.00 0.00 C ATOM 619 C LEU A 41 -0.414 7.159 9.727 1.00 0.00 C ATOM 620 O LEU A 41 -1.115 7.854 10.467 1.00 0.00 O ATOM 621 CB LEU A 41 0.656 8.993 8.419 1.00 0.00 C ATOM 622 CG LEU A 41 1.117 9.591 7.092 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.794 10.928 7.327 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.052 8.641 6.367 1.00 0.00 C ATOM 0 H LEU A 41 -1.425 8.618 7.101 1.00 0.00 H new ATOM 0 HA LEU A 41 0.659 6.910 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.029 9.695 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.522 8.898 9.074 1.00 0.00 H new ATOM 0 HG LEU A 41 0.241 9.748 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.118 11.344 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.092 11.613 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.659 10.789 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.367 9.089 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.927 8.448 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.534 7.703 6.168 1.00 0.00 H new ATOM 636 N GLY A 42 0.052 5.970 10.082 1.00 0.00 N ATOM 637 CA GLY A 42 -0.195 5.441 11.408 1.00 0.00 C ATOM 638 C GLY A 42 -1.190 4.301 11.405 1.00 0.00 C ATOM 639 O GLY A 42 -1.363 3.621 12.416 1.00 0.00 O ATOM 0 H GLY A 42 0.598 5.361 9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.745 5.096 11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.566 6.240 12.050 1.00 0.00 H new ATOM 643 N LYS A 43 -1.853 4.087 10.277 1.00 0.00 N ATOM 644 CA LYS A 43 -2.827 3.018 10.168 1.00 0.00 C ATOM 645 C LYS A 43 -2.275 1.860 9.355 1.00 0.00 C ATOM 646 O LYS A 43 -1.321 2.016 8.589 1.00 0.00 O ATOM 647 CB LYS A 43 -4.110 3.542 9.536 1.00 0.00 C ATOM 648 CG LYS A 43 -4.762 4.633 10.356 1.00 0.00 C ATOM 649 CD LYS A 43 -6.102 5.042 9.780 1.00 0.00 C ATOM 650 CE LYS A 43 -6.785 6.056 10.673 1.00 0.00 C ATOM 651 NZ LYS A 43 -6.038 7.341 10.724 1.00 0.00 N ATOM 0 H LYS A 43 -1.732 4.640 9.428 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.048 2.653 11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.889 3.925 8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.812 2.718 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.897 4.287 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.103 5.501 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.961 5.464 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.738 4.164 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.796 6.238 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.877 5.649 11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.685 8.108 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.271 7.269 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.635 7.546 9.787 1.00 0.00 H new ATOM 665 N ASN A 44 -2.883 0.698 9.538 1.00 0.00 N ATOM 666 CA ASN A 44 -2.459 -0.512 8.847 1.00 0.00 C ATOM 667 C ASN A 44 -3.175 -0.648 7.516 1.00 0.00 C ATOM 668 O ASN A 44 -4.400 -0.545 7.443 1.00 0.00 O ATOM 669 CB ASN A 44 -2.768 -1.752 9.695 1.00 0.00 C ATOM 670 CG ASN A 44 -1.877 -1.888 10.917 1.00 0.00 C ATOM 671 OD1 ASN A 44 -2.187 -1.355 11.985 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.774 -2.611 10.783 1.00 0.00 N ATOM 0 H ASN A 44 -3.678 0.566 10.164 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.385 -0.437 8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.809 -1.712 10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.660 -2.642 9.075 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.150 -2.741 11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.550 -3.037 9.884 1.00 0.00 H new ATOM 679 N ILE A 45 -2.399 -0.896 6.467 1.00 0.00 N ATOM 680 CA ILE A 45 -2.951 -1.179 5.146 1.00 0.00 C ATOM 681 C ILE A 45 -3.837 -2.427 5.196 1.00 0.00 C ATOM 682 O ILE A 45 -4.741 -2.592 4.386 1.00 0.00 O ATOM 683 CB ILE A 45 -1.823 -1.382 4.100 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.404 -1.614 2.701 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.918 -2.541 4.502 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.351 -1.774 1.623 1.00 0.00 C ATOM 0 H ILE A 45 -1.380 -0.907 6.506 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.552 -0.321 4.845 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.225 -0.471 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.030 -2.506 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.051 -0.776 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.134 -2.666 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.466 -2.330 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.506 -3.456 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.837 -1.935 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.740 -0.873 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.718 -2.630 1.857 1.00 0.00 H new ATOM 698 N VAL A 46 -3.571 -3.289 6.175 1.00 0.00 N ATOM 699 CA VAL A 46 -4.336 -4.511 6.362 1.00 0.00 C ATOM 700 C VAL A 46 -5.748 -4.196 6.862 1.00 0.00 C ATOM 701 O VAL A 46 -6.703 -4.894 6.535 1.00 0.00 O ATOM 702 CB VAL A 46 -3.620 -5.448 7.360 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.409 -6.731 7.578 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.213 -5.763 6.874 1.00 0.00 C ATOM 0 H VAL A 46 -2.823 -3.158 6.855 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.413 -5.013 5.398 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.553 -4.931 8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.879 -7.369 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.394 -6.489 7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.520 -7.256 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.721 -6.424 7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.265 -6.253 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.643 -4.838 6.784 1.00 0.00 H new ATOM 714 N GLU A 47 -5.876 -3.113 7.622 1.00 0.00 N ATOM 715 CA GLU A 47 -7.168 -2.705 8.165 1.00 0.00 C ATOM 716 C GLU A 47 -8.057 -2.156 7.058 1.00 0.00 C ATOM 717 O GLU A 47 -9.279 -2.281 7.104 1.00 0.00 O ATOM 718 CB GLU A 47 -6.986 -1.657 9.262 1.00 0.00 C ATOM 719 CG GLU A 47 -6.273 -2.187 10.496 1.00 0.00 C ATOM 720 CD GLU A 47 -7.105 -3.184 11.277 1.00 0.00 C ATOM 721 OE1 GLU A 47 -8.001 -2.752 12.033 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.850 -4.401 11.155 1.00 0.00 O ATOM 0 H GLU A 47 -5.100 -2.501 7.876 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.648 -3.581 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.422 -0.816 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.964 -1.274 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.338 -2.659 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.013 -1.351 11.146 1.00 0.00 H new ATOM 729 N PHE A 48 -7.431 -1.548 6.057 1.00 0.00 N ATOM 730 CA PHE A 48 -8.156 -1.042 4.903 1.00 0.00 C ATOM 731 C PHE A 48 -8.106 -2.047 3.768 1.00 0.00 C ATOM 732 O PHE A 48 -8.548 -1.765 2.655 1.00 0.00 O ATOM 733 CB PHE A 48 -7.583 0.291 4.433 1.00 0.00 C ATOM 734 CG PHE A 48 -7.606 1.354 5.485 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.807 1.910 5.907 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.428 1.797 6.056 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.823 2.889 6.880 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.439 2.773 7.027 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.636 3.320 7.439 1.00 0.00 C ATOM 0 H PHE A 48 -6.423 -1.395 6.023 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.192 -0.886 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.555 0.140 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.148 0.635 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.736 1.574 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.488 1.373 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.761 3.317 7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.511 3.110 7.466 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.645 4.086 8.200 1.00 0.00 H new ATOM 749 N CYS A 49 -7.548 -3.212 4.052 1.00 0.00 N ATOM 750 CA CYS A 49 -7.527 -4.286 3.082 1.00 0.00 C ATOM 751 C CYS A 49 -8.776 -5.131 3.231 1.00 0.00 C ATOM 752 O CYS A 49 -9.244 -5.373 4.345 1.00 0.00 O ATOM 753 CB CYS A 49 -6.290 -5.167 3.258 1.00 0.00 C ATOM 754 SG CYS A 49 -6.180 -6.509 2.048 1.00 0.00 S ATOM 0 H CYS A 49 -7.106 -3.435 4.944 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.494 -3.844 2.086 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.398 -4.546 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.297 -5.593 4.261 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.566 -6.084 0.984 1.00 0.00 H new ATOM 760 N HIS A 50 -9.333 -5.524 2.089 1.00 0.00 N ATOM 761 CA HIS A 50 -10.480 -6.421 2.042 1.00 0.00 C ATOM 762 C HIS A 50 -10.274 -7.578 3.018 1.00 0.00 C ATOM 763 O HIS A 50 -9.258 -8.260 2.966 1.00 0.00 O ATOM 764 CB HIS A 50 -10.652 -6.944 0.610 1.00 0.00 C ATOM 765 CG HIS A 50 -11.925 -7.696 0.379 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.971 -9.056 0.189 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.199 -7.262 0.296 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.221 -9.433 0.006 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.987 -8.362 0.067 1.00 0.00 N ATOM 0 H HIS A 50 -9.001 -5.229 1.171 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.382 -5.884 2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.611 -6.101 -0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.811 -7.594 0.369 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.163 -9.678 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.536 -6.240 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.559 -10.445 -0.164 1.00 0.00 H new ATOM 778 N PRO A 51 -11.244 -7.791 3.929 1.00 0.00 N ATOM 779 CA PRO A 51 -11.124 -8.734 5.057 1.00 0.00 C ATOM 780 C PRO A 51 -10.659 -10.135 4.659 1.00 0.00 C ATOM 781 O PRO A 51 -10.013 -10.821 5.446 1.00 0.00 O ATOM 782 CB PRO A 51 -12.544 -8.794 5.646 1.00 0.00 C ATOM 783 CG PRO A 51 -13.423 -8.081 4.672 1.00 0.00 C ATOM 784 CD PRO A 51 -12.542 -7.105 3.952 1.00 0.00 C ATOM 0 HA PRO A 51 -10.362 -8.390 5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.867 -9.826 5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.581 -8.318 6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.880 -8.782 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.236 -7.567 5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.907 -6.897 2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.485 -6.150 4.474 1.00 0.00 H new ATOM 792 N GLU A 52 -10.974 -10.553 3.441 1.00 0.00 N ATOM 793 CA GLU A 52 -10.592 -11.879 2.967 1.00 0.00 C ATOM 794 C GLU A 52 -9.223 -11.855 2.294 1.00 0.00 C ATOM 795 O GLU A 52 -8.681 -12.895 1.926 1.00 0.00 O ATOM 796 CB GLU A 52 -11.636 -12.414 2.001 1.00 0.00 C ATOM 797 CG GLU A 52 -12.982 -12.678 2.648 1.00 0.00 C ATOM 798 CD GLU A 52 -14.012 -13.141 1.647 1.00 0.00 C ATOM 799 OE1 GLU A 52 -13.861 -14.253 1.105 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.966 -12.384 1.379 1.00 0.00 O ATOM 0 H GLU A 52 -11.492 -9.995 2.763 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.533 -12.538 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.767 -11.700 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.268 -13.339 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.868 -13.433 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.334 -11.769 3.136 1.00 0.00 H new ATOM 807 N ASP A 53 -8.664 -10.667 2.149 1.00 0.00 N ATOM 808 CA ASP A 53 -7.400 -10.490 1.453 1.00 0.00 C ATOM 809 C ASP A 53 -6.354 -9.965 2.426 1.00 0.00 C ATOM 810 O ASP A 53 -5.231 -9.641 2.042 1.00 0.00 O ATOM 811 CB ASP A 53 -7.562 -9.518 0.278 1.00 0.00 C ATOM 812 CG ASP A 53 -8.506 -10.034 -0.791 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.733 -10.040 -0.556 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.031 -10.444 -1.867 1.00 0.00 O ATOM 0 H ASP A 53 -9.069 -9.802 2.507 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.077 -11.453 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.932 -8.563 0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.585 -9.329 -0.168 1.00 0.00 H new ATOM 819 N GLN A 54 -6.736 -9.883 3.698 1.00 0.00 N ATOM 820 CA GLN A 54 -5.832 -9.416 4.743 1.00 0.00 C ATOM 821 C GLN A 54 -4.653 -10.366 4.892 1.00 0.00 C ATOM 822 O GLN A 54 -3.498 -9.938 4.929 1.00 0.00 O ATOM 823 CB GLN A 54 -6.570 -9.278 6.075 1.00 0.00 C ATOM 824 CG GLN A 54 -7.590 -8.154 6.092 1.00 0.00 C ATOM 825 CD GLN A 54 -8.217 -7.951 7.458 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.388 -8.899 8.227 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.544 -6.709 7.774 1.00 0.00 N ATOM 0 H GLN A 54 -7.667 -10.135 4.029 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.456 -8.435 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.074 -10.218 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.842 -9.108 6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.109 -7.228 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.374 -8.369 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.385 -5.954 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.955 -6.506 8.685 1.00 0.00 H new ATOM 836 N GLN A 55 -4.950 -11.658 4.961 1.00 0.00 N ATOM 837 CA GLN A 55 -3.908 -12.673 5.030 1.00 0.00 C ATOM 838 C GLN A 55 -3.122 -12.720 3.732 1.00 0.00 C ATOM 839 O GLN A 55 -1.926 -13.004 3.736 1.00 0.00 O ATOM 840 CB GLN A 55 -4.503 -14.046 5.329 1.00 0.00 C ATOM 841 CG GLN A 55 -4.746 -14.292 6.806 1.00 0.00 C ATOM 842 CD GLN A 55 -3.480 -14.128 7.623 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.199 -13.051 8.148 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.688 -15.181 7.696 1.00 0.00 N ATOM 0 H GLN A 55 -5.901 -12.026 4.971 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.232 -12.404 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.446 -14.149 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.832 -14.815 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.505 -13.599 7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.141 -15.298 6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.959 -16.055 7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.805 -15.121 8.202 1.00 0.00 H new ATOM 853 N LEU A 56 -3.802 -12.429 2.629 1.00 0.00 N ATOM 854 CA LEU A 56 -3.158 -12.379 1.327 1.00 0.00 C ATOM 855 C LEU A 56 -2.053 -11.327 1.356 1.00 0.00 C ATOM 856 O LEU A 56 -0.929 -11.577 0.919 1.00 0.00 O ATOM 857 CB LEU A 56 -4.190 -12.054 0.237 1.00 0.00 C ATOM 858 CG LEU A 56 -3.908 -12.628 -1.159 1.00 0.00 C ATOM 859 CD1 LEU A 56 -5.062 -12.316 -2.097 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.611 -12.078 -1.734 1.00 0.00 C ATOM 0 H LEU A 56 -4.801 -12.224 2.613 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.720 -13.350 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.163 -12.419 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.268 -10.970 0.152 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.804 -13.708 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.850 -12.728 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.978 -12.760 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.187 -11.236 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.442 -12.505 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.680 -10.993 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.781 -12.342 -1.078 1.00 0.00 H new ATOM 872 N LEU A 57 -2.379 -10.158 1.894 1.00 0.00 N ATOM 873 CA LEU A 57 -1.391 -9.105 2.078 1.00 0.00 C ATOM 874 C LEU A 57 -0.309 -9.538 3.050 1.00 0.00 C ATOM 875 O LEU A 57 0.875 -9.415 2.745 1.00 0.00 O ATOM 876 CB LEU A 57 -2.027 -7.807 2.580 1.00 0.00 C ATOM 877 CG LEU A 57 -2.666 -6.929 1.507 1.00 0.00 C ATOM 878 CD1 LEU A 57 -2.972 -5.554 2.076 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.752 -6.813 0.297 1.00 0.00 C ATOM 0 H LEU A 57 -3.318 -9.917 2.210 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.948 -8.919 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.788 -8.058 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.263 -7.224 3.094 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.599 -7.392 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.428 -4.934 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.660 -5.653 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.048 -5.088 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.225 -6.183 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.804 -6.368 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.572 -7.804 -0.119 1.00 0.00 H new ATOM 891 N ARG A 58 -0.719 -10.054 4.210 1.00 0.00 N ATOM 892 CA ARG A 58 0.229 -10.450 5.245 1.00 0.00 C ATOM 893 C ARG A 58 1.289 -11.376 4.674 1.00 0.00 C ATOM 894 O ARG A 58 2.481 -11.080 4.738 1.00 0.00 O ATOM 895 CB ARG A 58 -0.469 -11.151 6.417 1.00 0.00 C ATOM 896 CG ARG A 58 0.456 -11.350 7.608 1.00 0.00 C ATOM 897 CD ARG A 58 -0.246 -12.012 8.778 1.00 0.00 C ATOM 898 NE ARG A 58 0.645 -12.159 9.929 1.00 0.00 N ATOM 899 CZ ARG A 58 0.339 -12.844 11.028 1.00 0.00 C ATOM 900 NH1 ARG A 58 -0.844 -13.434 11.140 1.00 0.00 N ATOM 901 NH2 ARG A 58 1.218 -12.940 12.016 1.00 0.00 N ATOM 0 H ARG A 58 -1.698 -10.206 4.453 1.00 0.00 H new ATOM 0 HA ARG A 58 0.697 -9.537 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.333 -10.563 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.844 -12.119 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.308 -11.960 7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.851 -10.384 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.115 -11.420 9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.614 -12.992 8.475 1.00 0.00 H new ATOM 0 HE ARG A 58 1.559 -11.708 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.523 -13.363 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.075 -13.958 11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.129 -12.489 11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.983 -13.465 12.858 1.00 0.00 H new ATOM 915 N ASP A 59 0.836 -12.480 4.085 1.00 0.00 N ATOM 916 CA ASP A 59 1.732 -13.474 3.507 1.00 0.00 C ATOM 917 C ASP A 59 2.663 -12.841 2.494 1.00 0.00 C ATOM 918 O ASP A 59 3.874 -12.990 2.578 1.00 0.00 O ATOM 919 CB ASP A 59 0.935 -14.581 2.820 1.00 0.00 C ATOM 920 CG ASP A 59 1.823 -15.687 2.283 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.283 -16.526 3.087 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.055 -15.726 1.054 1.00 0.00 O ATOM 0 H ASP A 59 -0.154 -12.708 3.996 1.00 0.00 H new ATOM 0 HA ASP A 59 2.320 -13.897 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.221 -15.003 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.357 -14.153 2.001 1.00 0.00 H new ATOM 927 N SER A 60 2.086 -12.089 1.574 1.00 0.00 N ATOM 928 CA SER A 60 2.818 -11.560 0.435 1.00 0.00 C ATOM 929 C SER A 60 3.837 -10.512 0.873 1.00 0.00 C ATOM 930 O SER A 60 4.902 -10.373 0.270 1.00 0.00 O ATOM 931 CB SER A 60 1.835 -10.983 -0.577 1.00 0.00 C ATOM 932 OG SER A 60 0.911 -11.975 -0.993 1.00 0.00 O ATOM 0 H SER A 60 1.100 -11.828 1.594 1.00 0.00 H new ATOM 0 HA SER A 60 3.374 -12.371 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.300 -10.142 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.377 -10.598 -1.440 1.00 0.00 H new ATOM 0 HG SER A 60 0.223 -12.091 -0.305 1.00 0.00 H new ATOM 938 N PHE A 61 3.514 -9.785 1.935 1.00 0.00 N ATOM 939 CA PHE A 61 4.450 -8.836 2.511 1.00 0.00 C ATOM 940 C PHE A 61 5.581 -9.584 3.199 1.00 0.00 C ATOM 941 O PHE A 61 6.731 -9.164 3.159 1.00 0.00 O ATOM 942 CB PHE A 61 3.754 -7.911 3.506 1.00 0.00 C ATOM 943 CG PHE A 61 2.825 -6.910 2.875 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.007 -6.499 1.562 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.773 -6.375 3.600 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.155 -5.575 0.988 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.919 -5.450 3.029 1.00 0.00 C ATOM 948 CZ PHE A 61 1.111 -5.050 1.721 1.00 0.00 C ATOM 0 H PHE A 61 2.614 -9.836 2.412 1.00 0.00 H new ATOM 0 HA PHE A 61 4.856 -8.223 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.189 -8.517 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.512 -7.376 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.823 -6.906 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.618 -6.684 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.306 -5.264 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.102 -5.040 3.605 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.445 -4.327 1.273 1.00 0.00 H new ATOM 958 N GLN A 62 5.245 -10.709 3.813 1.00 0.00 N ATOM 959 CA GLN A 62 6.244 -11.556 4.439 1.00 0.00 C ATOM 960 C GLN A 62 7.157 -12.136 3.372 1.00 0.00 C ATOM 961 O GLN A 62 8.359 -12.269 3.572 1.00 0.00 O ATOM 962 CB GLN A 62 5.576 -12.688 5.226 1.00 0.00 C ATOM 963 CG GLN A 62 4.696 -12.208 6.368 1.00 0.00 C ATOM 964 CD GLN A 62 5.478 -11.518 7.470 1.00 0.00 C ATOM 965 OE1 GLN A 62 6.650 -11.814 7.699 1.00 0.00 O ATOM 966 NE2 GLN A 62 4.831 -10.597 8.168 1.00 0.00 N ATOM 0 H GLN A 62 4.288 -11.054 3.890 1.00 0.00 H new ATOM 0 HA GLN A 62 6.830 -10.954 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.973 -13.286 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.349 -13.344 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.946 -11.520 5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.160 -13.059 6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.859 -10.379 7.948 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.305 -10.105 8.926 1.00 0.00 H new ATOM 975 N GLN A 63 6.567 -12.454 2.226 1.00 0.00 N ATOM 976 CA GLN A 63 7.298 -13.033 1.110 1.00 0.00 C ATOM 977 C GLN A 63 8.378 -12.089 0.607 1.00 0.00 C ATOM 978 O GLN A 63 9.504 -12.509 0.374 1.00 0.00 O ATOM 979 CB GLN A 63 6.341 -13.397 -0.021 1.00 0.00 C ATOM 980 CG GLN A 63 5.253 -14.344 0.438 1.00 0.00 C ATOM 981 CD GLN A 63 5.756 -15.730 0.790 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.933 -15.930 1.103 1.00 0.00 O ATOM 983 NE2 GLN A 63 4.848 -16.687 0.800 1.00 0.00 N ATOM 0 H GLN A 63 5.572 -12.318 2.046 1.00 0.00 H new ATOM 0 HA GLN A 63 7.786 -13.941 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.887 -12.489 -0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.901 -13.856 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.756 -13.916 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.503 -14.429 -0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.885 -16.479 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.109 -17.634 1.074 1.00 0.00 H new ATOM 992 N VAL A 64 8.044 -10.812 0.452 1.00 0.00 N ATOM 993 CA VAL A 64 9.026 -9.834 0.000 1.00 0.00 C ATOM 994 C VAL A 64 10.063 -9.561 1.094 1.00 0.00 C ATOM 995 O VAL A 64 11.207 -9.215 0.803 1.00 0.00 O ATOM 996 CB VAL A 64 8.368 -8.515 -0.478 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.657 -7.796 0.652 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.399 -7.600 -1.123 1.00 0.00 C ATOM 0 H VAL A 64 7.114 -10.434 0.630 1.00 0.00 H new ATOM 0 HA VAL A 64 9.534 -10.266 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 64 7.618 -8.780 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.210 -6.877 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.876 -8.439 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.373 -7.555 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.915 -6.680 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.178 -7.362 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.844 -8.102 -1.982 1.00 0.00 H new ATOM 1008 N VAL A 65 9.670 -9.757 2.351 1.00 0.00 N ATOM 1009 CA VAL A 65 10.602 -9.658 3.471 1.00 0.00 C ATOM 1010 C VAL A 65 11.546 -10.858 3.463 1.00 0.00 C ATOM 1011 O VAL A 65 12.681 -10.781 3.926 1.00 0.00 O ATOM 1012 CB VAL A 65 9.854 -9.575 4.827 1.00 0.00 C ATOM 1013 CG1 VAL A 65 10.813 -9.695 6.005 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.074 -8.274 4.921 1.00 0.00 C ATOM 0 H VAL A 65 8.713 -9.985 2.619 1.00 0.00 H new ATOM 0 HA VAL A 65 11.178 -8.740 3.354 1.00 0.00 H new ATOM 0 HB VAL A 65 9.160 -10.414 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.253 -9.632 6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.331 -10.653 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.542 -8.886 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.554 -8.230 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.761 -7.431 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.347 -8.226 4.111 1.00 0.00 H new ATOM 1024 N LYS A 66 11.066 -11.966 2.921 1.00 0.00 N ATOM 1025 CA LYS A 66 11.881 -13.160 2.760 1.00 0.00 C ATOM 1026 C LYS A 66 12.681 -13.083 1.461 1.00 0.00 C ATOM 1027 O LYS A 66 13.709 -13.744 1.309 1.00 0.00 O ATOM 1028 CB LYS A 66 10.995 -14.409 2.775 1.00 0.00 C ATOM 1029 CG LYS A 66 10.257 -14.597 4.089 1.00 0.00 C ATOM 1030 CD LYS A 66 9.251 -15.731 4.017 1.00 0.00 C ATOM 1031 CE LYS A 66 8.433 -15.824 5.295 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.282 -16.075 6.492 1.00 0.00 N ATOM 0 H LYS A 66 10.109 -12.063 2.583 1.00 0.00 H new ATOM 0 HA LYS A 66 12.582 -13.223 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.270 -14.343 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.611 -15.287 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.976 -14.799 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.743 -13.672 4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.586 -15.577 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.773 -16.673 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.876 -14.898 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.700 -16.625 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.675 -16.265 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.895 -16.897 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.870 -15.239 6.682 1.00 0.00 H new ATOM 1046 N LEU A 67 12.193 -12.280 0.523 1.00 0.00 N ATOM 1047 CA LEU A 67 12.899 -12.038 -0.727 1.00 0.00 C ATOM 1048 C LEU A 67 14.065 -11.087 -0.508 1.00 0.00 C ATOM 1049 O LEU A 67 15.196 -11.395 -0.878 1.00 0.00 O ATOM 1050 CB LEU A 67 11.953 -11.462 -1.793 1.00 0.00 C ATOM 1051 CG LEU A 67 10.899 -12.434 -2.318 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.139 -11.808 -3.471 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.538 -13.747 -2.745 1.00 0.00 C ATOM 0 H LEU A 67 11.306 -11.783 0.606 1.00 0.00 H new ATOM 0 HA LEU A 67 13.282 -12.995 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.446 -10.592 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.550 -11.109 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 67 10.196 -12.649 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.390 -12.510 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.646 -10.897 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.833 -11.566 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.767 -14.423 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.265 -13.558 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.040 -14.202 -1.891 1.00 0.00 H new ATOM 1065 N LYS A 68 13.769 -9.944 0.106 1.00 0.00 N ATOM 1066 CA LYS A 68 14.766 -8.910 0.377 1.00 0.00 C ATOM 1067 C LYS A 68 15.591 -8.582 -0.860 1.00 0.00 C ATOM 1068 O LYS A 68 16.720 -9.055 -1.020 1.00 0.00 O ATOM 1069 CB LYS A 68 15.680 -9.325 1.531 1.00 0.00 C ATOM 1070 CG LYS A 68 15.005 -9.243 2.881 1.00 0.00 C ATOM 1071 CD LYS A 68 15.939 -9.642 4.007 1.00 0.00 C ATOM 1072 CE LYS A 68 15.268 -9.462 5.356 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.186 -9.780 6.486 1.00 0.00 N ATOM 0 H LYS A 68 12.831 -9.708 0.430 1.00 0.00 H new ATOM 0 HA LYS A 68 14.226 -8.008 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.024 -10.346 1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.564 -8.687 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.650 -8.226 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.129 -9.892 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.242 -10.682 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.846 -9.039 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.918 -8.434 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.389 -10.104 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.687 -9.644 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.500 -10.768 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.013 -9.150 6.449 1.00 0.00 H new ATOM 1087 N GLY A 69 15.023 -7.763 -1.727 1.00 0.00 N ATOM 1088 CA GLY A 69 15.707 -7.389 -2.946 1.00 0.00 C ATOM 1089 C GLY A 69 14.832 -7.529 -4.170 1.00 0.00 C ATOM 1090 O GLY A 69 14.918 -6.719 -5.092 1.00 0.00 O ATOM 0 H GLY A 69 14.098 -7.349 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.049 -6.357 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.595 -8.010 -3.065 1.00 0.00 H new ATOM 1094 N GLN A 70 13.971 -8.539 -4.173 1.00 0.00 N ATOM 1095 CA GLN A 70 13.113 -8.797 -5.316 1.00 0.00 C ATOM 1096 C GLN A 70 11.767 -8.121 -5.129 1.00 0.00 C ATOM 1097 O GLN A 70 11.258 -8.035 -4.008 1.00 0.00 O ATOM 1098 CB GLN A 70 12.913 -10.300 -5.518 1.00 0.00 C ATOM 1099 CG GLN A 70 14.196 -11.058 -5.797 1.00 0.00 C ATOM 1100 CD GLN A 70 13.950 -12.484 -6.257 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.741 -13.046 -7.012 1.00 0.00 O ATOM 1102 NE2 GLN A 70 12.848 -13.073 -5.818 1.00 0.00 N ATOM 0 H GLN A 70 13.851 -9.190 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 70 13.599 -8.388 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.442 -10.717 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.222 -10.457 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.767 -10.529 -6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.807 -11.073 -4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.217 -12.572 -5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.630 -14.027 -6.106 1.00 0.00 H new ATOM 1111 N VAL A 71 11.206 -7.635 -6.225 1.00 0.00 N ATOM 1112 CA VAL A 71 9.901 -6.995 -6.198 1.00 0.00 C ATOM 1113 C VAL A 71 8.798 -8.042 -6.130 1.00 0.00 C ATOM 1114 O VAL A 71 8.756 -8.971 -6.942 1.00 0.00 O ATOM 1115 CB VAL A 71 9.686 -6.099 -7.439 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.295 -5.484 -7.438 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.747 -5.011 -7.498 1.00 0.00 C ATOM 0 H VAL A 71 11.637 -7.672 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 71 9.862 -6.367 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 71 9.776 -6.726 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.173 -4.859 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.547 -6.277 -7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.167 -4.875 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.582 -4.389 -8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.687 -4.395 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.734 -5.469 -7.558 1.00 0.00 H new ATOM 1127 N LEU A 72 7.918 -7.890 -5.155 1.00 0.00 N ATOM 1128 CA LEU A 72 6.806 -8.811 -4.975 1.00 0.00 C ATOM 1129 C LEU A 72 5.505 -8.043 -5.153 1.00 0.00 C ATOM 1130 O LEU A 72 5.190 -7.171 -4.351 1.00 0.00 O ATOM 1131 CB LEU A 72 6.871 -9.430 -3.570 1.00 0.00 C ATOM 1132 CG LEU A 72 6.208 -10.804 -3.393 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.705 -10.741 -3.625 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.852 -11.820 -4.321 1.00 0.00 C ATOM 0 H LEU A 72 7.952 -7.133 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 72 6.859 -9.614 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.919 -9.518 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.407 -8.735 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 72 6.363 -11.118 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.274 -11.733 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.255 -10.050 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.508 -10.395 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.374 -12.790 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.731 -11.496 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.914 -11.904 -4.088 1.00 0.00 H new ATOM 1146 N SER A 73 4.741 -8.366 -6.182 1.00 0.00 N ATOM 1147 CA SER A 73 3.540 -7.607 -6.475 1.00 0.00 C ATOM 1148 C SER A 73 2.301 -8.379 -6.056 1.00 0.00 C ATOM 1149 O SER A 73 2.033 -9.475 -6.548 1.00 0.00 O ATOM 1150 CB SER A 73 3.489 -7.254 -7.961 1.00 0.00 C ATOM 1151 OG SER A 73 4.625 -6.486 -8.333 1.00 0.00 O ATOM 0 H SER A 73 4.928 -9.139 -6.821 1.00 0.00 H new ATOM 0 HA SER A 73 3.565 -6.680 -5.902 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.450 -8.167 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.579 -6.694 -8.176 1.00 0.00 H new ATOM 0 HG SER A 73 4.387 -5.535 -8.347 1.00 0.00 H new ATOM 1157 N VAL A 74 1.544 -7.774 -5.159 1.00 0.00 N ATOM 1158 CA VAL A 74 0.353 -8.386 -4.602 1.00 0.00 C ATOM 1159 C VAL A 74 -0.874 -7.601 -4.991 1.00 0.00 C ATOM 1160 O VAL A 74 -0.884 -6.372 -4.983 1.00 0.00 O ATOM 1161 CB VAL A 74 0.459 -8.511 -3.061 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.767 -7.163 -2.426 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.809 -9.105 -2.468 1.00 0.00 C ATOM 0 H VAL A 74 1.739 -6.841 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 74 0.265 -9.392 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 74 1.283 -9.189 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.836 -7.278 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.714 -6.787 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.029 -6.458 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.704 -9.180 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.657 -8.464 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.976 -10.098 -2.886 1.00 0.00 H new ATOM 1173 N MET A 75 -1.897 -8.331 -5.351 1.00 0.00 N ATOM 1174 CA MET A 75 -3.107 -7.742 -5.854 1.00 0.00 C ATOM 1175 C MET A 75 -4.233 -7.938 -4.845 1.00 0.00 C ATOM 1176 O MET A 75 -4.508 -9.060 -4.422 1.00 0.00 O ATOM 1177 CB MET A 75 -3.459 -8.368 -7.199 1.00 0.00 C ATOM 1178 CG MET A 75 -4.462 -7.554 -7.970 1.00 0.00 C ATOM 1179 SD MET A 75 -5.059 -8.398 -9.445 1.00 0.00 S ATOM 1180 CE MET A 75 -6.244 -7.209 -10.067 1.00 0.00 C ATOM 0 H MET A 75 -1.913 -9.350 -5.303 1.00 0.00 H new ATOM 0 HA MET A 75 -2.964 -6.671 -6.000 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.552 -8.478 -7.793 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.857 -9.370 -7.037 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.308 -7.320 -7.323 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.009 -6.605 -8.258 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.287 -7.273 -11.154 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.228 -7.425 -9.652 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.939 -6.204 -9.774 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.879 -6.845 -4.472 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.865 -6.865 -3.397 1.00 0.00 C ATOM 1192 C PHE A 76 -6.834 -5.702 -3.542 1.00 0.00 C ATOM 1193 O PHE A 76 -6.710 -4.893 -4.464 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.163 -6.796 -2.036 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.457 -5.492 -1.785 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.285 -5.184 -2.455 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -4.967 -4.577 -0.877 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.636 -3.987 -2.226 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.322 -3.380 -0.646 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.155 -3.084 -1.320 1.00 0.00 C ATOM 0 H PHE A 76 -4.739 -5.929 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.427 -7.797 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.899 -6.958 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.440 -7.609 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.874 -5.887 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.879 -4.804 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.723 -3.757 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.730 -2.674 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.648 -2.147 -1.139 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.799 -5.618 -2.632 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.792 -4.564 -2.682 1.00 0.00 C ATOM 1212 C ARG A 77 -8.587 -3.571 -1.546 1.00 0.00 C ATOM 1213 O ARG A 77 -8.738 -3.907 -0.370 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.190 -5.169 -2.644 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.498 -5.980 -3.888 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.633 -6.958 -3.665 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.925 -6.304 -3.496 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.056 -6.976 -3.290 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.026 -8.302 -3.193 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -15.208 -6.329 -3.174 1.00 0.00 N ATOM 0 H ARG A 77 -7.910 -6.269 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.679 -4.016 -3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.284 -5.806 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.926 -4.372 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.756 -5.306 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.605 -6.525 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.687 -7.643 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.418 -7.560 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.964 -5.286 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.139 -8.800 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.890 -8.821 -3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.231 -5.312 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.071 -6.849 -3.016 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.234 -2.354 -1.929 1.00 0.00 N ATOM 1235 CA PHE A 78 -7.920 -1.279 -0.997 1.00 0.00 C ATOM 1236 C PHE A 78 -9.182 -0.469 -0.728 1.00 0.00 C ATOM 1237 O PHE A 78 -9.939 -0.178 -1.660 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.858 -0.385 -1.642 1.00 0.00 C ATOM 1239 CG PHE A 78 -5.971 0.384 -0.700 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.459 1.430 0.067 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.621 0.086 -0.632 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.613 2.162 0.882 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -3.776 0.804 0.186 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.269 1.844 0.941 1.00 0.00 C ATOM 0 H PHE A 78 -8.156 -2.080 -2.908 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.547 -1.681 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.226 -1.007 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.362 0.327 -2.296 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.510 1.676 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.224 -0.722 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.002 2.980 1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.727 0.551 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.607 2.411 1.579 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.429 -0.120 0.527 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.613 0.658 0.857 1.00 0.00 C ATOM 1256 C ARG A 79 -10.413 2.135 0.539 1.00 0.00 C ATOM 1257 O ARG A 79 -9.512 2.787 1.060 1.00 0.00 O ATOM 1258 CB ARG A 79 -10.998 0.512 2.323 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.405 1.016 2.603 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.629 1.260 4.079 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.267 0.099 4.888 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.225 0.097 6.220 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -12.512 1.197 6.903 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.887 -1.011 6.867 1.00 0.00 N ATOM 0 H ARG A 79 -8.836 -0.359 1.321 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.421 0.263 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.926 -0.536 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.288 1.063 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.577 1.940 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.131 0.288 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.041 2.121 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.676 1.509 4.250 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.031 -0.766 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.767 2.052 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.478 1.188 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.660 -1.857 6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.854 -1.016 7.886 1.00 0.00 H new ATOM 1278 N SER A 80 -11.249 2.627 -0.348 1.00 0.00 N ATOM 1279 CA SER A 80 -11.300 4.034 -0.692 1.00 0.00 C ATOM 1280 C SER A 80 -11.956 4.853 0.423 1.00 0.00 C ATOM 1281 O SER A 80 -12.603 4.307 1.320 1.00 0.00 O ATOM 1282 CB SER A 80 -12.101 4.182 -1.981 1.00 0.00 C ATOM 1283 OG SER A 80 -12.210 5.537 -2.385 1.00 0.00 O ATOM 0 H SER A 80 -11.922 2.055 -0.858 1.00 0.00 H new ATOM 0 HA SER A 80 -10.285 4.408 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.624 3.605 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.098 3.765 -1.839 1.00 0.00 H new ATOM 0 HG SER A 80 -12.113 5.597 -3.358 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.809 6.176 0.333 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.451 7.110 1.254 1.00 0.00 C ATOM 1291 C LYS A 81 -13.957 7.117 1.017 1.00 0.00 C ATOM 1292 O LYS A 81 -14.726 7.682 1.792 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.889 8.521 1.044 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.331 9.528 2.093 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.747 9.214 3.459 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.359 10.097 4.528 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.731 9.900 5.861 1.00 0.00 N ATOM 0 H LYS A 81 -11.240 6.629 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.250 6.794 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.800 8.470 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.194 8.879 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.024 10.529 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.419 9.533 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.925 8.166 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.667 9.358 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.257 11.141 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.426 9.888 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.366 10.262 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.559 8.886 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.828 10.414 5.898 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.368 6.464 -0.060 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.775 6.326 -0.391 1.00 0.00 C ATOM 1313 C ASN A 82 -16.255 4.968 0.092 1.00 0.00 C ATOM 1314 O ASN A 82 -17.374 4.543 -0.195 1.00 0.00 O ATOM 1315 CB ASN A 82 -15.988 6.448 -1.903 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.427 7.738 -2.474 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.107 8.763 -2.514 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.183 7.694 -2.931 1.00 0.00 N ATOM 0 H ASN A 82 -13.737 6.017 -0.725 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.342 7.119 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.517 5.601 -2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.055 6.393 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.758 8.529 -3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.651 6.825 -2.880 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.362 4.294 0.816 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.604 2.961 1.358 1.00 0.00 C ATOM 1327 C GLN A 83 -15.816 1.950 0.241 1.00 0.00 C ATOM 1328 O GLN A 83 -16.575 0.992 0.378 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.770 2.961 2.350 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.404 3.514 3.722 1.00 0.00 C ATOM 1331 CD GLN A 83 -16.025 4.985 3.700 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.883 5.861 3.821 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.736 5.268 3.568 1.00 0.00 N ATOM 0 H GLN A 83 -14.440 4.664 1.044 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.715 2.660 1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.588 3.551 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.138 1.942 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.247 3.374 4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.572 2.938 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.056 4.514 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.425 6.239 3.564 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.134 2.186 -0.870 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.095 1.247 -1.967 1.00 0.00 C ATOM 1344 C GLU A 84 -13.914 0.316 -1.766 1.00 0.00 C ATOM 1345 O GLU A 84 -13.004 0.635 -1.011 1.00 0.00 O ATOM 1346 CB GLU A 84 -14.940 1.992 -3.289 1.00 0.00 C ATOM 1347 CG GLU A 84 -16.032 3.014 -3.550 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.814 3.773 -4.842 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.966 4.691 -4.867 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -16.489 3.458 -5.840 1.00 0.00 O ATOM 0 H GLU A 84 -14.594 3.036 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.023 0.676 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.974 2.496 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.931 1.268 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.997 2.509 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.072 3.719 -2.720 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.918 -0.824 -2.429 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.831 -1.769 -2.294 1.00 0.00 C ATOM 1359 C TRP A 85 -12.255 -2.093 -3.665 1.00 0.00 C ATOM 1360 O TRP A 85 -12.567 -3.127 -4.253 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.337 -3.032 -1.605 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.824 -2.783 -0.206 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.080 -2.405 0.175 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.057 -2.887 0.996 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.136 -2.267 1.542 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.911 -2.563 2.066 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.734 -3.223 1.273 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.481 -2.570 3.388 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.311 -3.225 2.587 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.182 -2.903 3.628 1.00 0.00 C ATOM 0 H TRP A 85 -14.660 -1.116 -3.064 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.039 -1.333 -1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.147 -3.461 -2.195 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.536 -3.771 -1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.908 -2.239 -0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.959 -1.989 2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.052 -3.477 0.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.153 -2.320 4.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.286 -3.481 2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.819 -2.918 4.645 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.405 -1.205 -4.160 1.00 0.00 N ATOM 1382 CA LEU A 86 -10.919 -1.288 -5.531 1.00 0.00 C ATOM 1383 C LEU A 86 -9.718 -2.205 -5.659 1.00 0.00 C ATOM 1384 O LEU A 86 -9.032 -2.503 -4.686 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.581 0.106 -6.071 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.924 1.070 -5.079 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.459 0.722 -4.856 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.065 2.500 -5.566 1.00 0.00 C ATOM 0 H LEU A 86 -11.036 -0.415 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.724 -1.717 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.918 -0.009 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.499 0.564 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.437 0.972 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.022 1.425 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.382 -0.290 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.923 0.781 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.594 3.176 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.581 2.603 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.122 2.750 -5.659 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.462 -2.617 -6.887 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.400 -3.560 -7.181 1.00 0.00 C ATOM 1402 C TRP A 87 -7.122 -2.838 -7.563 1.00 0.00 C ATOM 1403 O TRP A 87 -7.074 -2.112 -8.561 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.812 -4.494 -8.315 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.810 -5.528 -7.907 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.170 -5.453 -8.017 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.520 -6.798 -7.316 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.740 -6.610 -7.542 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.748 -7.450 -7.104 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.338 -7.447 -6.949 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.827 -8.723 -6.542 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.416 -8.706 -6.390 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.652 -9.334 -6.191 1.00 0.00 C ATOM 0 H TRP A 87 -9.984 -2.308 -7.707 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.218 -4.145 -6.279 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.228 -3.901 -9.129 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.924 -4.992 -8.705 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.715 -4.611 -8.417 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.740 -6.812 -7.519 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.380 -6.971 -7.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.779 -9.210 -6.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.509 -9.216 -6.101 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.679 -10.320 -5.752 1.00 0.00 H new ATOM 1424 N MET A 88 -6.093 -3.030 -6.768 1.00 0.00 N ATOM 1425 CA MET A 88 -4.789 -2.492 -7.090 1.00 0.00 C ATOM 1426 C MET A 88 -3.737 -3.569 -6.912 1.00 0.00 C ATOM 1427 O MET A 88 -3.882 -4.454 -6.066 1.00 0.00 O ATOM 1428 CB MET A 88 -4.458 -1.278 -6.213 1.00 0.00 C ATOM 1429 CG MET A 88 -4.183 -1.622 -4.755 1.00 0.00 C ATOM 1430 SD MET A 88 -3.516 -0.231 -3.822 1.00 0.00 S ATOM 1431 CE MET A 88 -4.769 1.010 -4.119 1.00 0.00 C ATOM 0 H MET A 88 -6.133 -3.554 -5.894 1.00 0.00 H new ATOM 0 HA MET A 88 -4.799 -2.161 -8.128 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.586 -0.771 -6.626 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.288 -0.573 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.107 -1.959 -4.285 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.481 -2.454 -4.709 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.625 1.844 -3.432 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.690 1.368 -5.145 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.756 0.575 -3.961 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.704 -3.522 -7.726 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.583 -4.417 -7.545 1.00 0.00 C ATOM 1443 C ARG A 89 -0.404 -3.617 -7.036 1.00 0.00 C ATOM 1444 O ARG A 89 0.119 -2.740 -7.727 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.226 -5.155 -8.836 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.285 -6.331 -8.609 1.00 0.00 C ATOM 1447 CD ARG A 89 0.025 -7.075 -9.898 1.00 0.00 C ATOM 1448 NE ARG A 89 0.810 -8.289 -9.652 1.00 0.00 N ATOM 1449 CZ ARG A 89 1.534 -8.911 -10.586 1.00 0.00 C ATOM 1450 NH1 ARG A 89 1.581 -8.431 -11.821 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.215 -10.009 -10.277 1.00 0.00 N ATOM 0 H ARG A 89 -2.618 -2.879 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.856 -5.182 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.141 -5.515 -9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.763 -4.455 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.644 -5.971 -8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.733 -7.020 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.907 -7.340 -10.398 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.573 -6.418 -10.574 1.00 0.00 H new ATOM 0 HE ARG A 89 0.803 -8.682 -8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.064 -7.585 -12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.135 -8.908 -12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.185 -10.377 -9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.768 -10.484 -10.991 1.00 0.00 H new ATOM 1465 N THR A 90 -0.029 -3.896 -5.810 1.00 0.00 N ATOM 1466 CA THR A 90 1.057 -3.200 -5.163 1.00 0.00 C ATOM 1467 C THR A 90 2.363 -3.961 -5.338 1.00 0.00 C ATOM 1468 O THR A 90 2.460 -5.139 -4.994 1.00 0.00 O ATOM 1469 CB THR A 90 0.768 -3.017 -3.662 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.444 -2.276 -3.488 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.908 -2.294 -2.965 1.00 0.00 C ATOM 0 H THR A 90 -0.469 -4.613 -5.233 1.00 0.00 H new ATOM 0 HA THR A 90 1.150 -2.220 -5.630 1.00 0.00 H new ATOM 0 HB THR A 90 0.665 -4.006 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.728 -1.906 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.674 -2.180 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.826 -2.872 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.044 -1.310 -3.414 1.00 0.00 H new ATOM 1479 N SER A 91 3.358 -3.287 -5.882 1.00 0.00 N ATOM 1480 CA SER A 91 4.672 -3.872 -6.038 1.00 0.00 C ATOM 1481 C SER A 91 5.507 -3.547 -4.807 1.00 0.00 C ATOM 1482 O SER A 91 5.714 -2.375 -4.478 1.00 0.00 O ATOM 1483 CB SER A 91 5.339 -3.353 -7.313 1.00 0.00 C ATOM 1484 OG SER A 91 4.526 -3.615 -8.450 1.00 0.00 O ATOM 0 H SER A 91 3.279 -2.329 -6.224 1.00 0.00 H new ATOM 0 HA SER A 91 4.586 -4.955 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.516 -2.281 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.312 -3.827 -7.439 1.00 0.00 H new ATOM 0 HG SER A 91 4.969 -3.274 -9.255 1.00 0.00 H new ATOM 1490 N SER A 92 5.961 -4.580 -4.118 1.00 0.00 N ATOM 1491 CA SER A 92 6.652 -4.405 -2.857 1.00 0.00 C ATOM 1492 C SER A 92 8.152 -4.411 -3.056 1.00 0.00 C ATOM 1493 O SER A 92 8.671 -4.948 -4.038 1.00 0.00 O ATOM 1494 CB SER A 92 6.274 -5.506 -1.862 1.00 0.00 C ATOM 1495 OG SER A 92 6.653 -5.158 -0.546 1.00 0.00 O ATOM 0 H SER A 92 5.862 -5.551 -4.414 1.00 0.00 H new ATOM 0 HA SER A 92 6.346 -3.440 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.199 -5.680 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.758 -6.440 -2.148 1.00 0.00 H new ATOM 0 HG SER A 92 5.924 -5.374 0.072 1.00 0.00 H new ATOM 1501 N PHE A 93 8.824 -3.809 -2.107 1.00 0.00 N ATOM 1502 CA PHE A 93 10.265 -3.791 -2.051 1.00 0.00 C ATOM 1503 C PHE A 93 10.680 -3.504 -0.626 1.00 0.00 C ATOM 1504 O PHE A 93 10.120 -2.627 0.022 1.00 0.00 O ATOM 1505 CB PHE A 93 10.836 -2.734 -3.001 1.00 0.00 C ATOM 1506 CG PHE A 93 12.315 -2.494 -2.830 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.241 -3.246 -3.535 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.779 -1.524 -1.949 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.597 -3.034 -3.369 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.133 -1.310 -1.779 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.042 -2.067 -2.491 1.00 0.00 C ATOM 0 H PHE A 93 8.378 -3.309 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 93 10.657 -4.758 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.644 -3.042 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.305 -1.795 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.900 -4.006 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.071 -0.930 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.308 -3.625 -3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.480 -0.553 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.101 -1.902 -2.361 1.00 0.00 H new ATOM 1521 N THR A 94 11.639 -4.248 -0.133 1.00 0.00 N ATOM 1522 CA THR A 94 12.110 -4.049 1.215 1.00 0.00 C ATOM 1523 C THR A 94 13.484 -3.406 1.198 1.00 0.00 C ATOM 1524 O THR A 94 14.470 -4.043 0.812 1.00 0.00 O ATOM 1525 CB THR A 94 12.161 -5.388 1.964 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.016 -6.300 1.261 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.768 -5.988 2.092 1.00 0.00 C ATOM 0 H THR A 94 12.108 -4.996 -0.644 1.00 0.00 H new ATOM 0 HA THR A 94 11.418 -3.386 1.733 1.00 0.00 H new ATOM 0 HB THR A 94 12.555 -5.211 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.707 -5.797 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.828 -6.936 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.125 -5.301 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.352 -6.157 1.099 1.00 0.00 H new ATOM 1535 N PHE A 95 13.549 -2.137 1.579 1.00 0.00 N ATOM 1536 CA PHE A 95 14.813 -1.427 1.579 1.00 0.00 C ATOM 1537 C PHE A 95 15.671 -1.940 2.722 1.00 0.00 C ATOM 1538 O PHE A 95 15.281 -1.859 3.891 1.00 0.00 O ATOM 1539 CB PHE A 95 14.609 0.084 1.696 1.00 0.00 C ATOM 1540 CG PHE A 95 15.703 0.872 1.034 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.976 0.921 1.581 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.461 1.550 -0.148 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.984 1.632 0.962 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.464 2.266 -0.771 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.728 2.306 -0.216 1.00 0.00 C ATOM 0 H PHE A 95 12.748 -1.586 1.888 1.00 0.00 H new ATOM 0 HA PHE A 95 15.317 -1.611 0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.652 0.353 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.556 0.358 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.181 0.397 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.475 1.519 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.972 1.661 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.260 2.794 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 95 18.515 2.863 -0.702 1.00 0.00 H new ATOM 1555 N GLN A 96 16.818 -2.493 2.375 1.00 0.00 N ATOM 1556 CA GLN A 96 17.682 -3.124 3.352 1.00 0.00 C ATOM 1557 C GLN A 96 18.795 -2.196 3.798 1.00 0.00 C ATOM 1558 O GLN A 96 19.386 -1.478 2.991 1.00 0.00 O ATOM 1559 CB GLN A 96 18.292 -4.398 2.776 1.00 0.00 C ATOM 1560 CG GLN A 96 17.276 -5.474 2.450 1.00 0.00 C ATOM 1561 CD GLN A 96 17.935 -6.751 1.987 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.161 -6.954 0.795 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.262 -7.615 2.930 1.00 0.00 N ATOM 0 H GLN A 96 17.173 -2.517 1.419 1.00 0.00 H new ATOM 0 HA GLN A 96 17.067 -3.367 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.844 -4.147 1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.014 -4.798 3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.668 -5.678 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.601 -5.112 1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.056 -7.406 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.721 -8.491 2.682 1.00 0.00 H new ATOM 1572 N ASN A 97 19.055 -2.217 5.096 1.00 0.00 N ATOM 1573 CA ASN A 97 20.236 -1.595 5.662 1.00 0.00 C ATOM 1574 C ASN A 97 21.461 -2.166 4.968 1.00 0.00 C ATOM 1575 O ASN A 97 21.730 -3.360 5.084 1.00 0.00 O ATOM 1576 CB ASN A 97 20.318 -1.875 7.171 1.00 0.00 C ATOM 1577 CG ASN A 97 19.262 -1.144 7.982 1.00 0.00 C ATOM 1578 OD1 ASN A 97 18.828 -1.623 9.030 1.00 0.00 O ATOM 1579 ND2 ASN A 97 18.841 0.018 7.514 1.00 0.00 N ATOM 0 H ASN A 97 18.452 -2.666 5.785 1.00 0.00 H new ATOM 0 HA ASN A 97 20.187 -0.516 5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 97 20.216 -2.947 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 97 21.305 -1.588 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.135 0.548 8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.222 0.385 6.642 1.00 0.00 H new ATOM 1586 N PRO A 98 22.216 -1.331 4.241 1.00 0.00 N ATOM 1587 CA PRO A 98 23.314 -1.792 3.381 1.00 0.00 C ATOM 1588 C PRO A 98 24.410 -2.547 4.135 1.00 0.00 C ATOM 1589 O PRO A 98 25.289 -3.145 3.523 1.00 0.00 O ATOM 1590 CB PRO A 98 23.874 -0.500 2.774 1.00 0.00 C ATOM 1591 CG PRO A 98 23.374 0.600 3.649 1.00 0.00 C ATOM 1592 CD PRO A 98 22.057 0.132 4.193 1.00 0.00 C ATOM 0 HA PRO A 98 22.953 -2.508 2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.964 -0.518 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 98 23.534 -0.370 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 98 24.077 0.807 4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 98 23.256 1.525 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.858 0.548 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.228 0.426 3.550 1.00 0.00 H new ATOM 1600 N TYR A 99 24.358 -2.524 5.457 1.00 0.00 N ATOM 1601 CA TYR A 99 25.373 -3.185 6.261 1.00 0.00 C ATOM 1602 C TYR A 99 24.762 -4.248 7.168 1.00 0.00 C ATOM 1603 O TYR A 99 25.485 -5.003 7.818 1.00 0.00 O ATOM 1604 CB TYR A 99 26.131 -2.152 7.100 1.00 0.00 C ATOM 1605 CG TYR A 99 26.766 -1.064 6.268 1.00 0.00 C ATOM 1606 CD1 TYR A 99 28.048 -1.211 5.759 1.00 0.00 C ATOM 1607 CD2 TYR A 99 26.073 0.103 5.976 1.00 0.00 C ATOM 1608 CE1 TYR A 99 28.623 -0.225 4.980 1.00 0.00 C ATOM 1609 CE2 TYR A 99 26.640 1.094 5.201 1.00 0.00 C ATOM 1610 CZ TYR A 99 27.914 0.925 4.704 1.00 0.00 C ATOM 1611 OH TYR A 99 28.481 1.908 3.924 1.00 0.00 O ATOM 0 H TYR A 99 23.627 -2.057 5.994 1.00 0.00 H new ATOM 0 HA TYR A 99 26.067 -3.682 5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.444 -1.700 7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 99 26.905 -2.658 7.677 1.00 0.00 H new ATOM 0 HD1 TYR A 99 28.606 -2.110 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 99 25.073 0.237 6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 99 29.622 -0.354 4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 99 26.088 1.997 4.985 1.00 0.00 H new ATOM 0 HH TYR A 99 27.850 2.651 3.824 1.00 0.00 H new ATOM 1621 N SER A 100 23.435 -4.324 7.199 1.00 0.00 N ATOM 1622 CA SER A 100 22.755 -5.209 8.141 1.00 0.00 C ATOM 1623 C SER A 100 21.696 -6.085 7.467 1.00 0.00 C ATOM 1624 O SER A 100 21.182 -7.022 8.080 1.00 0.00 O ATOM 1625 CB SER A 100 22.108 -4.371 9.242 1.00 0.00 C ATOM 1626 OG SER A 100 23.068 -3.551 9.885 1.00 0.00 O ATOM 0 H SER A 100 22.814 -3.790 6.590 1.00 0.00 H new ATOM 0 HA SER A 100 23.504 -5.880 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.320 -3.750 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.636 -5.027 9.974 1.00 0.00 H new ATOM 0 HG SER A 100 22.631 -3.022 10.585 1.00 0.00 H new ATOM 1632 N ASP A 101 21.369 -5.769 6.209 1.00 0.00 N ATOM 1633 CA ASP A 101 20.314 -6.467 5.455 1.00 0.00 C ATOM 1634 C ASP A 101 18.941 -6.337 6.118 1.00 0.00 C ATOM 1635 O ASP A 101 17.970 -6.957 5.674 1.00 0.00 O ATOM 1636 CB ASP A 101 20.650 -7.949 5.250 1.00 0.00 C ATOM 1637 CG ASP A 101 21.704 -8.175 4.186 1.00 0.00 C ATOM 1638 OD1 ASP A 101 21.349 -8.235 2.987 1.00 0.00 O ATOM 1639 OD2 ASP A 101 22.894 -8.309 4.539 1.00 0.00 O ATOM 0 H ASP A 101 21.826 -5.024 5.683 1.00 0.00 H new ATOM 0 HA ASP A 101 20.268 -5.978 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.997 -8.371 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.743 -8.487 4.975 1.00 0.00 H new ATOM 1644 N GLU A 102 18.857 -5.521 7.160 1.00 0.00 N ATOM 1645 CA GLU A 102 17.604 -5.306 7.869 1.00 0.00 C ATOM 1646 C GLU A 102 16.719 -4.374 7.072 1.00 0.00 C ATOM 1647 O GLU A 102 17.210 -3.572 6.293 1.00 0.00 O ATOM 1648 CB GLU A 102 17.877 -4.708 9.245 1.00 0.00 C ATOM 1649 CG GLU A 102 18.670 -5.623 10.154 1.00 0.00 C ATOM 1650 CD GLU A 102 17.872 -6.835 10.589 1.00 0.00 C ATOM 1651 OE1 GLU A 102 17.820 -7.828 9.834 1.00 0.00 O ATOM 1652 OE2 GLU A 102 17.276 -6.790 11.685 1.00 0.00 O ATOM 0 H GLU A 102 19.647 -4.995 7.534 1.00 0.00 H new ATOM 0 HA GLU A 102 17.098 -6.264 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.419 -3.770 9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 102 16.927 -4.468 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 102 19.572 -5.951 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.991 -5.067 11.035 1.00 0.00 H new ATOM 1659 N ILE A 103 15.425 -4.456 7.274 1.00 0.00 N ATOM 1660 CA ILE A 103 14.510 -3.650 6.497 1.00 0.00 C ATOM 1661 C ILE A 103 14.129 -2.401 7.252 1.00 0.00 C ATOM 1662 O ILE A 103 13.575 -2.459 8.350 1.00 0.00 O ATOM 1663 CB ILE A 103 13.251 -4.434 6.122 1.00 0.00 C ATOM 1664 CG1 ILE A 103 13.660 -5.666 5.335 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.292 -3.568 5.314 1.00 0.00 C ATOM 1666 CD1 ILE A 103 12.510 -6.581 5.033 1.00 0.00 C ATOM 0 H ILE A 103 14.984 -5.066 7.962 1.00 0.00 H new ATOM 0 HA ILE A 103 15.024 -3.369 5.577 1.00 0.00 H new ATOM 0 HB ILE A 103 12.728 -4.738 7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.124 -5.354 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.415 -6.215 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.405 -4.148 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.001 -2.699 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.784 -3.237 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.869 -7.442 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.060 -6.920 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.765 -6.046 4.444 1.00 0.00 H new ATOM 1678 N GLU A 104 14.458 -1.275 6.656 1.00 0.00 N ATOM 1679 CA GLU A 104 14.126 0.015 7.218 1.00 0.00 C ATOM 1680 C GLU A 104 12.637 0.253 7.053 1.00 0.00 C ATOM 1681 O GLU A 104 11.941 0.657 7.981 1.00 0.00 O ATOM 1682 CB GLU A 104 14.910 1.112 6.508 1.00 0.00 C ATOM 1683 CG GLU A 104 16.097 0.583 5.748 1.00 0.00 C ATOM 1684 CD GLU A 104 16.917 1.683 5.107 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.344 2.507 4.364 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.138 1.748 5.368 1.00 0.00 O ATOM 0 H GLU A 104 14.962 -1.229 5.770 1.00 0.00 H new ATOM 0 HA GLU A 104 14.387 0.032 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.248 1.637 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.251 1.842 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.731 0.010 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.752 -0.105 4.976 1.00 0.00 H new ATOM 1693 N TYR A 105 12.167 -0.032 5.850 1.00 0.00 N ATOM 1694 CA TYR A 105 10.772 0.136 5.492 1.00 0.00 C ATOM 1695 C TYR A 105 10.502 -0.545 4.158 1.00 0.00 C ATOM 1696 O TYR A 105 11.419 -0.773 3.364 1.00 0.00 O ATOM 1697 CB TYR A 105 10.408 1.629 5.402 1.00 0.00 C ATOM 1698 CG TYR A 105 11.448 2.481 4.696 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.592 2.451 3.314 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.293 3.312 5.422 1.00 0.00 C ATOM 1701 CE1 TYR A 105 12.550 3.220 2.678 1.00 0.00 C ATOM 1702 CE2 TYR A 105 13.248 4.086 4.792 1.00 0.00 C ATOM 1703 CZ TYR A 105 13.374 4.037 3.422 1.00 0.00 C ATOM 1704 OH TYR A 105 14.337 4.797 2.798 1.00 0.00 O ATOM 0 H TYR A 105 12.748 -0.389 5.091 1.00 0.00 H new ATOM 0 HA TYR A 105 10.155 -0.321 6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.457 1.729 4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.260 2.017 6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.945 1.816 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.201 3.353 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 105 12.652 3.180 1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.894 4.728 5.373 1.00 0.00 H new ATOM 0 HH TYR A 105 14.829 5.316 3.468 1.00 0.00 H new ATOM 1714 N ILE A 106 9.251 -0.885 3.932 1.00 0.00 N ATOM 1715 CA ILE A 106 8.822 -1.434 2.664 1.00 0.00 C ATOM 1716 C ILE A 106 8.343 -0.296 1.776 1.00 0.00 C ATOM 1717 O ILE A 106 7.711 0.646 2.255 1.00 0.00 O ATOM 1718 CB ILE A 106 7.675 -2.458 2.853 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.107 -3.580 3.803 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.232 -3.040 1.515 1.00 0.00 C ATOM 1721 CD1 ILE A 106 7.002 -4.571 4.104 1.00 0.00 C ATOM 0 H ILE A 106 8.505 -0.789 4.620 1.00 0.00 H new ATOM 0 HA ILE A 106 9.664 -1.952 2.204 1.00 0.00 H new ATOM 0 HB ILE A 106 6.827 -1.933 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.952 -4.111 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.456 -3.141 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.426 -3.755 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.879 -2.237 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.074 -3.544 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.376 -5.338 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.165 -4.052 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.669 -5.037 3.177 1.00 0.00 H new ATOM 1733 N ILE A 107 8.617 -0.387 0.493 1.00 0.00 N ATOM 1734 CA ILE A 107 8.227 0.653 -0.436 1.00 0.00 C ATOM 1735 C ILE A 107 7.145 0.100 -1.346 1.00 0.00 C ATOM 1736 O ILE A 107 7.416 -0.734 -2.213 1.00 0.00 O ATOM 1737 CB ILE A 107 9.417 1.157 -1.282 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.544 1.649 -0.368 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.964 2.270 -2.221 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.774 2.116 -1.117 1.00 0.00 C ATOM 0 H ILE A 107 9.110 -1.172 0.068 1.00 0.00 H new ATOM 0 HA ILE A 107 7.858 1.506 0.134 1.00 0.00 H new ATOM 0 HB ILE A 107 9.795 0.331 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.170 2.468 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.826 0.845 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.813 2.616 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.189 1.891 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.566 3.100 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.529 2.450 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.173 1.293 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.507 2.942 -1.776 1.00 0.00 H new ATOM 1752 N CYS A 108 5.920 0.537 -1.123 1.00 0.00 N ATOM 1753 CA CYS A 108 4.786 -0.015 -1.833 1.00 0.00 C ATOM 1754 C CYS A 108 4.393 0.861 -3.014 1.00 0.00 C ATOM 1755 O CYS A 108 3.950 2.000 -2.845 1.00 0.00 O ATOM 1756 CB CYS A 108 3.604 -0.214 -0.878 1.00 0.00 C ATOM 1757 SG CYS A 108 3.191 1.231 0.122 1.00 0.00 S ATOM 0 H CYS A 108 5.687 1.272 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 108 5.075 -0.988 -2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.728 -0.498 -1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.829 -1.047 -0.212 1.00 0.00 H new ATOM 0 HG CYS A 108 4.072 2.165 -0.081 1.00 0.00 H new ATOM 1763 N THR A 109 4.591 0.329 -4.210 1.00 0.00 N ATOM 1764 CA THR A 109 4.150 0.991 -5.422 1.00 0.00 C ATOM 1765 C THR A 109 2.699 0.618 -5.705 1.00 0.00 C ATOM 1766 O THR A 109 2.357 -0.562 -5.745 1.00 0.00 O ATOM 1767 CB THR A 109 5.024 0.590 -6.628 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.408 0.845 -6.341 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.614 1.354 -7.877 1.00 0.00 C ATOM 0 H THR A 109 5.057 -0.565 -4.365 1.00 0.00 H new ATOM 0 HA THR A 109 4.241 2.067 -5.275 1.00 0.00 H new ATOM 0 HB THR A 109 4.880 -0.475 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.955 0.586 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.246 1.052 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.573 1.134 -8.112 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.729 2.424 -7.703 1.00 0.00 H new ATOM 1777 N ASN A 110 1.855 1.615 -5.903 1.00 0.00 N ATOM 1778 CA ASN A 110 0.438 1.372 -6.127 1.00 0.00 C ATOM 1779 C ASN A 110 0.088 1.521 -7.590 1.00 0.00 C ATOM 1780 O ASN A 110 0.224 2.610 -8.159 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.433 2.335 -5.324 1.00 0.00 C ATOM 1782 CG ASN A 110 -1.848 2.415 -5.873 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -2.440 1.413 -6.272 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -2.382 3.617 -5.947 1.00 0.00 N ATOM 0 H ASN A 110 2.124 2.599 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 110 0.242 0.351 -5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.466 2.013 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 110 0.017 3.328 -5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.314 3.738 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.864 4.427 -5.607 1.00 0.00 H new ATOM 1791 N THR A 111 -0.370 0.427 -8.176 1.00 0.00 N ATOM 1792 CA THR A 111 -0.918 0.437 -9.512 1.00 0.00 C ATOM 1793 C THR A 111 -2.392 0.061 -9.445 1.00 0.00 C ATOM 1794 O THR A 111 -2.747 -1.105 -9.249 1.00 0.00 O ATOM 1795 CB THR A 111 -0.168 -0.545 -10.432 1.00 0.00 C ATOM 1796 OG1 THR A 111 1.226 -0.209 -10.474 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.746 -0.518 -11.842 1.00 0.00 C ATOM 0 H THR A 111 -0.370 -0.492 -7.733 1.00 0.00 H new ATOM 0 HA THR A 111 -0.804 1.437 -9.929 1.00 0.00 H new ATOM 0 HB THR A 111 -0.287 -1.550 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.697 -0.838 -11.059 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.200 -1.220 -12.473 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.798 -0.802 -11.810 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.654 0.487 -12.254 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.241 1.057 -9.594 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.677 0.862 -9.492 1.00 0.00 C ATOM 1807 C ASN A 112 -5.224 0.353 -10.816 1.00 0.00 C ATOM 1808 O ASN A 112 -5.045 0.982 -11.857 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.346 2.180 -9.104 1.00 0.00 C ATOM 1810 CG ASN A 112 -6.868 2.121 -9.113 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.531 3.093 -9.462 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.437 0.995 -8.698 1.00 0.00 N ATOM 0 H ASN A 112 -2.960 2.018 -9.788 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.891 0.121 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.008 2.469 -8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.018 2.960 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.454 0.920 -8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -6.857 0.205 -8.415 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.875 -0.798 -10.776 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.406 -1.404 -11.980 1.00 0.00 C ATOM 1821 C VAL A 113 -7.856 -0.975 -12.186 1.00 0.00 C ATOM 1822 O VAL A 113 -8.130 0.052 -12.808 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.323 -2.949 -11.918 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.584 -3.563 -13.287 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.971 -3.398 -11.371 1.00 0.00 C ATOM 0 H VAL A 113 -6.047 -1.329 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.801 -1.063 -12.820 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.098 -3.301 -11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.520 -4.649 -13.217 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.579 -3.279 -13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.840 -3.201 -13.996 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.936 -4.487 -11.337 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.176 -3.030 -12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.834 -2.999 -10.366 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.776 -1.759 -11.651 1.00 0.00 N ATOM 1836 CA LYS A 114 -10.189 -1.444 -11.725 1.00 0.00 C ATOM 1837 C LYS A 114 -10.790 -1.350 -10.328 1.00 0.00 C ATOM 1838 O LYS A 114 -10.133 -1.667 -9.338 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.908 -2.502 -12.570 1.00 0.00 C ATOM 1840 CG LYS A 114 -10.793 -3.928 -12.036 1.00 0.00 C ATOM 1841 CD LYS A 114 -11.969 -4.310 -11.146 1.00 0.00 C ATOM 1842 CE LYS A 114 -13.268 -4.418 -11.936 1.00 0.00 C ATOM 1843 NZ LYS A 114 -13.169 -5.399 -13.048 1.00 0.00 N ATOM 0 H LYS A 114 -8.565 -2.626 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.317 -0.473 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.963 -2.238 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.506 -2.474 -13.583 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.733 -4.623 -12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.866 -4.028 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.761 -5.262 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.084 -3.566 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.076 -4.712 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.528 -3.439 -12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.123 -5.643 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.624 -4.983 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.690 -6.259 -12.711 1.00 0.00 H new ATOM 1857 N ASN A 115 -12.031 -0.910 -10.249 1.00 0.00 N ATOM 1858 CA ASN A 115 -12.700 -0.734 -8.968 1.00 0.00 C ATOM 1859 C ASN A 115 -13.827 -1.742 -8.799 1.00 0.00 C ATOM 1860 O ASN A 115 -14.534 -2.069 -9.752 1.00 0.00 O ATOM 1861 CB ASN A 115 -13.240 0.693 -8.859 1.00 0.00 C ATOM 1862 CG ASN A 115 -13.976 0.971 -7.558 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -13.672 0.392 -6.515 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -14.954 1.862 -7.616 1.00 0.00 N ATOM 0 H ASN A 115 -12.601 -0.666 -11.059 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.976 -0.905 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -12.411 1.394 -8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -13.914 0.882 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.486 2.090 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.175 2.320 -8.500 1.00 0.00 H new ATOM 1871 N SER A 116 -13.983 -2.238 -7.584 1.00 0.00 N ATOM 1872 CA SER A 116 -15.016 -3.204 -7.282 1.00 0.00 C ATOM 1873 C SER A 116 -16.288 -2.489 -6.838 1.00 0.00 C ATOM 1874 O SER A 116 -16.309 -1.827 -5.798 1.00 0.00 O ATOM 1875 CB SER A 116 -14.530 -4.159 -6.189 1.00 0.00 C ATOM 1876 OG SER A 116 -15.529 -5.095 -5.827 1.00 0.00 O ATOM 0 H SER A 116 -13.400 -1.983 -6.787 1.00 0.00 H new ATOM 0 HA SER A 116 -15.239 -3.782 -8.179 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.644 -4.690 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.234 -3.586 -5.311 1.00 0.00 H new ATOM 0 HG SER A 116 -15.152 -5.999 -5.844 1.00 0.00 H new ATOM 1882 N SER A 117 -17.345 -2.627 -7.628 1.00 0.00 N ATOM 1883 CA SER A 117 -18.630 -2.019 -7.307 1.00 0.00 C ATOM 1884 C SER A 117 -19.376 -2.901 -6.307 1.00 0.00 C ATOM 1885 O SER A 117 -20.504 -3.335 -6.559 1.00 0.00 O ATOM 1886 CB SER A 117 -19.448 -1.831 -8.595 1.00 0.00 C ATOM 1887 OG SER A 117 -20.651 -1.107 -8.362 1.00 0.00 O ATOM 0 H SER A 117 -17.337 -3.157 -8.499 1.00 0.00 H new ATOM 0 HA SER A 117 -18.474 -1.040 -6.854 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.845 -1.303 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 117 -19.688 -2.807 -9.018 1.00 0.00 H new ATOM 0 HG SER A 117 -21.193 -1.579 -7.696 1.00 0.00 H new ATOM 1893 N GLN A 118 -18.724 -3.163 -5.172 1.00 0.00 N ATOM 1894 CA GLN A 118 -19.251 -4.066 -4.154 1.00 0.00 C ATOM 1895 C GLN A 118 -19.548 -5.430 -4.786 1.00 0.00 C ATOM 1896 O GLN A 118 -20.631 -5.992 -4.621 1.00 0.00 O ATOM 1897 CB GLN A 118 -20.508 -3.468 -3.502 1.00 0.00 C ATOM 1898 CG GLN A 118 -20.997 -4.226 -2.273 1.00 0.00 C ATOM 1899 CD GLN A 118 -20.225 -3.904 -1.001 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -20.765 -4.008 0.100 1.00 0.00 O ATOM 1901 NE2 GLN A 118 -18.971 -3.494 -1.131 1.00 0.00 N ATOM 0 H GLN A 118 -17.819 -2.755 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 118 -18.507 -4.201 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -20.301 -2.436 -3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -21.309 -3.441 -4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -22.051 -3.999 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -20.928 -5.296 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -18.553 -3.419 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -18.425 -3.254 -0.304 1.00 0.00 H new ATOM 1910 N GLU A 119 -18.579 -5.943 -5.529 1.00 0.00 N ATOM 1911 CA GLU A 119 -18.749 -7.199 -6.243 1.00 0.00 C ATOM 1912 C GLU A 119 -17.832 -8.270 -5.661 1.00 0.00 C ATOM 1913 O GLU A 119 -16.874 -8.691 -6.340 1.00 0.00 O ATOM 1914 CB GLU A 119 -18.495 -6.990 -7.748 1.00 0.00 C ATOM 1915 CG GLU A 119 -17.236 -6.192 -8.058 1.00 0.00 C ATOM 1916 CD GLU A 119 -17.065 -5.886 -9.530 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -17.581 -4.842 -9.988 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -16.395 -6.670 -10.233 1.00 0.00 O ATOM 1919 OXT GLU A 119 -18.061 -8.667 -4.498 1.00 0.00 O ATOM 0 H GLU A 119 -17.665 -5.508 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 119 -19.776 -7.544 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.424 -7.964 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -19.353 -6.479 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -17.262 -5.256 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.367 -6.748 -7.707 1.00 0.00 H new TER 1926 GLU A 119