USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 898 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 86 TYR OH : rot -14:sc= 1.27 USER MOD Set 1.2: A 102 HIS : no HD1:sc= 0 K(o=1.3,f=-0.53!) USER MOD Set 2.1: A 61 SER OG : rot -161:sc= 0.223 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.409 X(o=-0.19,f=-0.29) USER MOD Set 3.1: A 36 ASN : amide:sc= 1.02 K(o=1.9,f=0.58) USER MOD Set 3.2: A 50 ASN : amide:sc= 0.884 K(o=1.9,f=0.58) USER MOD Set 4.1: A 40 GLN : amide:sc= 0.412 K(o=1.7,f=0.77) USER MOD Set 4.2: A 47 MET CE :methyl -153:sc= -0.269 (180deg=-1.62) USER MOD Set 4.3: A 49 SER OG : rot -64:sc= 1.55 USER MOD Set 5.1: A 16 HIS : no HD1:sc= -0.0579 X(o=-0.27,f=-0.53) USER MOD Set 5.2: A 19 HIS : no HD1:sc= -0.213 K(o=-0.27,f=-1.4) USER MOD Set 6.1: A 10 TYR OH : rot 50:sc= 1.78 USER MOD Set 6.2: A 60 THR OG1 : rot -53:sc= 1.23 USER MOD Set 7.1: A 3 HIS : no HE2:sc= -3.17 K(o=-3.5,f=-4.5!) USER MOD Set 7.2: A 4 MET CE :methyl -117:sc= -0.302 (180deg=-1.05) USER MOD Set 7.3: A 28 SER OG : rot 180:sc=-0.00791 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 72:sc= 0 USER MOD Single : A 33 THR OG1 : rot 75:sc= 0.198 USER MOD Single : A 41 MET CE :methyl -172:sc= -2.84! (180deg=-3.24!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 45 THR OG1 : rot -1:sc= 0.27 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 59 SER OG : rot 180:sc= -0.114 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.022 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 1.61 K(o=1.6,f=-0.12) USER MOD Single : A 83 GLN : amide:sc= 0.0583 X(o=0.058,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.0644 F(o=-2,f=-0.064) USER MOD Single : A 103 TYR OH : rot 80:sc= -0.594 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 138:sc= -0.148 (180deg=-4.02!) USER MOD Single : A 113 ASN : amide:sc= -0.563 K(o=-0.56,f=-1.6) USER MOD Single : A 115 GLN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -13.073 -4.522 6.994 1.00 0.00 N ATOM 20 CA HIS A 3 -12.229 -4.150 5.850 1.00 0.00 C ATOM 21 C HIS A 3 -11.978 -5.251 4.808 1.00 0.00 C ATOM 22 O HIS A 3 -12.095 -4.971 3.615 1.00 0.00 O ATOM 23 CB HIS A 3 -10.939 -3.406 6.258 1.00 0.00 C ATOM 24 CG HIS A 3 -9.726 -4.294 6.393 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.575 -5.315 7.301 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.650 -4.341 5.545 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.459 -5.979 6.981 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.871 -5.428 5.913 1.00 0.00 N ATOM 0 HA HIS A 3 -12.852 -3.434 5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.729 -2.634 5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.111 -2.899 7.207 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.201 -5.528 8.078 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.446 -3.655 4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.084 -6.842 7.512 1.00 0.00 H new ATOM 36 N MET A 4 -11.656 -6.482 5.225 1.00 0.00 N ATOM 37 CA MET A 4 -11.272 -7.594 4.354 1.00 0.00 C ATOM 38 C MET A 4 -12.299 -7.788 3.248 1.00 0.00 C ATOM 39 O MET A 4 -11.946 -7.945 2.081 1.00 0.00 O ATOM 40 CB MET A 4 -11.163 -8.898 5.165 1.00 0.00 C ATOM 41 CG MET A 4 -9.816 -9.102 5.861 1.00 0.00 C ATOM 42 SD MET A 4 -8.527 -9.876 4.841 1.00 0.00 S ATOM 43 CE MET A 4 -7.709 -8.456 4.061 1.00 0.00 C ATOM 0 H MET A 4 -11.656 -6.737 6.213 1.00 0.00 H new ATOM 0 HA MET A 4 -10.305 -7.354 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.952 -8.910 5.917 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.345 -9.741 4.499 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.452 -8.134 6.204 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.973 -9.716 6.748 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.840 -8.509 2.980 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.150 -7.532 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.645 -8.473 4.299 1.00 0.00 H new ATOM 53 N GLU A 5 -13.574 -7.749 3.627 1.00 0.00 N ATOM 54 CA GLU A 5 -14.705 -8.105 2.786 1.00 0.00 C ATOM 55 C GLU A 5 -14.793 -7.229 1.549 1.00 0.00 C ATOM 56 O GLU A 5 -15.359 -7.659 0.543 1.00 0.00 O ATOM 57 CB GLU A 5 -16.024 -7.947 3.556 1.00 0.00 C ATOM 58 CG GLU A 5 -15.970 -8.572 4.949 1.00 0.00 C ATOM 59 CD GLU A 5 -17.291 -8.452 5.712 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.348 -8.216 5.096 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.296 -8.517 6.961 1.00 0.00 O ATOM 0 H GLU A 5 -13.854 -7.457 4.563 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.549 -9.142 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.263 -6.887 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.831 -8.408 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.704 -9.625 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.179 -8.092 5.526 1.00 0.00 H new ATOM 68 N VAL A 6 -14.297 -5.991 1.636 1.00 0.00 N ATOM 69 CA VAL A 6 -14.376 -5.041 0.546 1.00 0.00 C ATOM 70 C VAL A 6 -13.336 -5.409 -0.509 1.00 0.00 C ATOM 71 O VAL A 6 -13.602 -5.300 -1.704 1.00 0.00 O ATOM 72 CB VAL A 6 -14.175 -3.608 1.085 1.00 0.00 C ATOM 73 CG1 VAL A 6 -14.114 -2.541 -0.018 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.309 -3.240 2.046 1.00 0.00 C ATOM 0 H VAL A 6 -13.831 -5.629 2.468 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.360 -5.076 0.079 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.212 -3.616 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.971 -1.559 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.281 -2.757 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -15.046 -2.549 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.156 -2.227 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.263 -3.293 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.317 -3.938 2.883 1.00 0.00 H new ATOM 84 N PHE A 7 -12.151 -5.834 -0.071 1.00 0.00 N ATOM 85 CA PHE A 7 -11.003 -6.132 -0.924 1.00 0.00 C ATOM 86 C PHE A 7 -10.971 -7.590 -1.396 1.00 0.00 C ATOM 87 O PHE A 7 -10.226 -7.940 -2.313 1.00 0.00 O ATOM 88 CB PHE A 7 -9.725 -5.751 -0.174 1.00 0.00 C ATOM 89 CG PHE A 7 -9.682 -4.282 0.216 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.818 -3.289 -0.774 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.533 -3.898 1.562 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.766 -1.929 -0.445 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.467 -2.534 1.895 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.573 -1.558 0.890 1.00 0.00 C ATOM 0 H PHE A 7 -11.959 -5.985 0.919 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.087 -5.540 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.641 -6.363 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.861 -5.981 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.965 -3.581 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.470 -4.649 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.873 -1.176 -1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.335 -2.236 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.505 -0.512 1.150 1.00 0.00 H new ATOM 104 N ALA A 8 -11.805 -8.448 -0.812 1.00 0.00 N ATOM 105 CA ALA A 8 -11.807 -9.877 -1.067 1.00 0.00 C ATOM 106 C ALA A 8 -12.297 -10.203 -2.489 1.00 0.00 C ATOM 107 O ALA A 8 -12.007 -11.274 -3.028 1.00 0.00 O ATOM 108 CB ALA A 8 -12.682 -10.531 -0.006 1.00 0.00 C ATOM 0 H ALA A 8 -12.511 -8.158 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.791 -10.268 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.706 -11.609 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.273 -10.322 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.694 -10.131 -0.072 1.00 0.00 H new ATOM 114 N GLU A 9 -13.017 -9.278 -3.121 1.00 0.00 N ATOM 115 CA GLU A 9 -13.531 -9.415 -4.474 1.00 0.00 C ATOM 116 C GLU A 9 -12.480 -9.088 -5.544 1.00 0.00 C ATOM 117 O GLU A 9 -12.666 -9.443 -6.708 1.00 0.00 O ATOM 118 CB GLU A 9 -14.709 -8.453 -4.630 1.00 0.00 C ATOM 119 CG GLU A 9 -15.976 -8.881 -3.891 1.00 0.00 C ATOM 120 CD GLU A 9 -17.147 -8.080 -4.454 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.396 -6.928 -4.037 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.777 -8.559 -5.426 1.00 0.00 O ATOM 0 H GLU A 9 -13.264 -8.388 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.828 -10.454 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.409 -7.469 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.939 -8.349 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.149 -9.949 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.872 -8.701 -2.821 1.00 0.00 H new ATOM 129 N TYR A 10 -11.389 -8.418 -5.177 1.00 0.00 N ATOM 130 CA TYR A 10 -10.188 -8.247 -5.978 1.00 0.00 C ATOM 131 C TYR A 10 -9.360 -9.517 -5.817 1.00 0.00 C ATOM 132 O TYR A 10 -8.974 -10.142 -6.804 1.00 0.00 O ATOM 133 CB TYR A 10 -9.436 -7.004 -5.481 1.00 0.00 C ATOM 134 CG TYR A 10 -8.120 -6.706 -6.168 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.120 -6.102 -7.437 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.897 -6.985 -5.525 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.911 -5.769 -8.066 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.680 -6.665 -6.155 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.687 -6.053 -7.429 1.00 0.00 C ATOM 140 OH TYR A 10 -4.523 -5.704 -8.038 1.00 0.00 O ATOM 0 H TYR A 10 -11.320 -7.959 -4.269 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.411 -8.095 -7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.088 -6.138 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.248 -7.120 -4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.057 -5.893 -7.931 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.894 -7.445 -4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.919 -5.296 -9.037 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.743 -6.887 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.570 -4.767 -8.321 1.00 0.00 H new ATOM 150 N LEU A 11 -9.161 -9.931 -4.558 1.00 0.00 N ATOM 151 CA LEU A 11 -8.375 -11.100 -4.181 1.00 0.00 C ATOM 152 C LEU A 11 -8.733 -12.329 -4.995 1.00 0.00 C ATOM 153 O LEU A 11 -7.841 -12.997 -5.520 1.00 0.00 O ATOM 154 CB LEU A 11 -8.581 -11.441 -2.691 1.00 0.00 C ATOM 155 CG LEU A 11 -7.477 -10.972 -1.744 1.00 0.00 C ATOM 156 CD1 LEU A 11 -6.141 -11.478 -2.283 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.452 -9.453 -1.553 1.00 0.00 C ATOM 0 H LEU A 11 -9.557 -9.443 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.335 -10.837 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.524 -11.003 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.681 -12.522 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.674 -11.385 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.336 -11.155 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.157 -12.567 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.975 -11.074 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.646 -9.185 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.288 -8.968 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.404 -9.123 -1.138 1.00 0.00 H new ATOM 169 N LYS A 12 -10.034 -12.621 -5.085 1.00 0.00 N ATOM 170 CA LYS A 12 -10.550 -13.809 -5.750 1.00 0.00 C ATOM 171 C LYS A 12 -9.978 -13.964 -7.160 1.00 0.00 C ATOM 172 O LYS A 12 -9.778 -15.089 -7.610 1.00 0.00 O ATOM 173 CB LYS A 12 -12.092 -13.774 -5.746 1.00 0.00 C ATOM 174 CG LYS A 12 -12.673 -12.816 -6.795 1.00 0.00 C ATOM 175 CD LYS A 12 -14.199 -12.727 -6.778 1.00 0.00 C ATOM 176 CE LYS A 12 -14.593 -11.606 -7.749 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.848 -11.881 -8.469 1.00 0.00 N ATOM 0 H LYS A 12 -10.764 -12.027 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.226 -14.690 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.473 -14.779 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.441 -13.476 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.259 -11.821 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.349 -13.138 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.644 -13.675 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.562 -12.512 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.696 -10.673 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.790 -11.461 -8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.062 -11.090 -9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.746 -12.756 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.623 -11.992 -7.785 1.00 0.00 H new ATOM 191 N GLY A 13 -9.744 -12.856 -7.867 1.00 0.00 N ATOM 192 CA GLY A 13 -9.370 -12.845 -9.272 1.00 0.00 C ATOM 193 C GLY A 13 -7.863 -12.922 -9.494 1.00 0.00 C ATOM 194 O GLY A 13 -7.434 -12.905 -10.647 1.00 0.00 O ATOM 0 H GLY A 13 -9.813 -11.922 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.848 -13.686 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.753 -11.936 -9.736 1.00 0.00 H new ATOM 198 N ILE A 14 -7.042 -12.968 -8.438 1.00 0.00 N ATOM 199 CA ILE A 14 -5.603 -13.096 -8.590 1.00 0.00 C ATOM 200 C ILE A 14 -5.323 -14.546 -8.987 1.00 0.00 C ATOM 201 O ILE A 14 -5.613 -15.466 -8.226 1.00 0.00 O ATOM 202 CB ILE A 14 -4.900 -12.643 -7.290 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.190 -11.138 -7.069 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.396 -12.952 -7.387 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.469 -10.495 -5.881 1.00 0.00 C ATOM 0 H ILE A 14 -7.359 -12.918 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.201 -12.450 -9.371 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.281 -13.186 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.916 -10.596 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.264 -11.009 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.899 -12.633 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.253 -14.024 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.969 -12.418 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.742 -9.442 -5.817 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.760 -11.002 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.391 -10.583 -6.018 1.00 0.00 H new ATOM 217 N ASP A 15 -4.753 -14.771 -10.172 1.00 0.00 N ATOM 218 CA ASP A 15 -4.469 -16.114 -10.708 1.00 0.00 C ATOM 219 C ASP A 15 -3.112 -16.659 -10.251 1.00 0.00 C ATOM 220 O ASP A 15 -2.707 -17.757 -10.640 1.00 0.00 O ATOM 221 CB ASP A 15 -4.491 -16.054 -12.237 1.00 0.00 C ATOM 222 CG ASP A 15 -5.069 -17.314 -12.882 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.252 -17.627 -12.623 1.00 0.00 O ATOM 224 OD2 ASP A 15 -4.396 -17.901 -13.758 1.00 0.00 O ATOM 0 H ASP A 15 -4.470 -14.018 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.237 -16.787 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.078 -15.191 -12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.476 -15.900 -12.603 1.00 0.00 H new ATOM 229 N HIS A 16 -2.362 -15.866 -9.481 1.00 0.00 N ATOM 230 CA HIS A 16 -1.017 -16.163 -8.996 1.00 0.00 C ATOM 231 C HIS A 16 -0.991 -16.269 -7.457 1.00 0.00 C ATOM 232 O HIS A 16 -0.561 -15.322 -6.788 1.00 0.00 O ATOM 233 CB HIS A 16 -0.029 -15.128 -9.572 1.00 0.00 C ATOM 234 CG HIS A 16 1.053 -15.708 -10.438 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.738 -16.894 -10.254 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.554 -15.101 -11.553 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.649 -16.988 -11.238 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.565 -15.922 -12.052 1.00 0.00 N ATOM 0 H HIS A 16 -2.695 -14.955 -9.165 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.696 -17.142 -9.351 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.589 -14.396 -10.155 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.435 -14.590 -8.746 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.228 -14.160 -11.971 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.348 -17.803 -11.357 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.134 -15.746 -12.880 1.00 0.00 H new ATOM 246 N PRO A 17 -1.412 -17.408 -6.881 1.00 0.00 N ATOM 247 CA PRO A 17 -1.477 -17.621 -5.437 1.00 0.00 C ATOM 248 C PRO A 17 -0.122 -17.610 -4.736 1.00 0.00 C ATOM 249 O PRO A 17 -0.077 -17.373 -3.529 1.00 0.00 O ATOM 250 CB PRO A 17 -2.141 -18.982 -5.245 1.00 0.00 C ATOM 251 CG PRO A 17 -1.882 -19.699 -6.557 1.00 0.00 C ATOM 252 CD PRO A 17 -1.956 -18.567 -7.566 1.00 0.00 C ATOM 0 HA PRO A 17 -2.032 -16.797 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.710 -19.522 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.208 -18.882 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.909 -20.189 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.628 -20.468 -6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.381 -18.800 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.983 -18.390 -7.884 1.00 0.00 H new ATOM 260 N ASP A 18 0.982 -17.829 -5.456 1.00 0.00 N ATOM 261 CA ASP A 18 2.320 -17.743 -4.859 1.00 0.00 C ATOM 262 C ASP A 18 2.717 -16.296 -4.552 1.00 0.00 C ATOM 263 O ASP A 18 3.728 -16.075 -3.892 1.00 0.00 O ATOM 264 CB ASP A 18 3.379 -18.428 -5.738 1.00 0.00 C ATOM 265 CG ASP A 18 3.687 -19.820 -5.204 1.00 0.00 C ATOM 266 OD1 ASP A 18 4.541 -19.954 -4.299 1.00 0.00 O ATOM 267 OD2 ASP A 18 3.047 -20.783 -5.686 1.00 0.00 O ATOM 0 H ASP A 18 0.977 -18.066 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 18 2.276 -18.280 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.021 -18.496 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.289 -17.828 -5.757 1.00 0.00 H new ATOM 272 N HIS A 19 1.925 -15.310 -4.988 1.00 0.00 N ATOM 273 CA HIS A 19 2.220 -13.888 -4.778 1.00 0.00 C ATOM 274 C HIS A 19 0.985 -13.102 -4.306 1.00 0.00 C ATOM 275 O HIS A 19 1.077 -11.895 -4.075 1.00 0.00 O ATOM 276 CB HIS A 19 2.829 -13.296 -6.068 1.00 0.00 C ATOM 277 CG HIS A 19 3.675 -14.275 -6.853 1.00 0.00 C ATOM 278 ND1 HIS A 19 3.197 -15.125 -7.826 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.956 -14.666 -6.558 1.00 0.00 C ATOM 280 CE1 HIS A 19 4.152 -16.029 -8.082 1.00 0.00 C ATOM 281 NE2 HIS A 19 5.257 -15.767 -7.369 1.00 0.00 N ATOM 0 H HIS A 19 1.058 -15.477 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 19 2.950 -13.798 -3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.022 -12.935 -6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.440 -12.432 -5.806 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.613 -14.208 -5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.046 -16.856 -8.769 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.143 -16.271 -7.409 1.00 0.00 H new ATOM 289 N ARG A 20 -0.175 -13.759 -4.202 1.00 0.00 N ATOM 290 CA ARG A 20 -1.464 -13.214 -3.791 1.00 0.00 C ATOM 291 C ARG A 20 -1.394 -12.648 -2.380 1.00 0.00 C ATOM 292 O ARG A 20 -1.593 -11.451 -2.198 1.00 0.00 O ATOM 293 CB ARG A 20 -2.517 -14.331 -3.904 1.00 0.00 C ATOM 294 CG ARG A 20 -3.883 -13.988 -3.321 1.00 0.00 C ATOM 295 CD ARG A 20 -4.874 -15.014 -3.867 1.00 0.00 C ATOM 296 NE ARG A 20 -6.165 -14.911 -3.207 1.00 0.00 N ATOM 297 CZ ARG A 20 -7.274 -15.599 -3.507 1.00 0.00 C ATOM 298 NH1 ARG A 20 -7.265 -16.456 -4.519 1.00 0.00 N ATOM 299 NH2 ARG A 20 -8.369 -15.425 -2.782 1.00 0.00 N ATOM 0 H ARG A 20 -0.237 -14.754 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.744 -12.386 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.641 -14.588 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.137 -15.221 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.856 -14.020 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.180 -12.978 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.000 -14.865 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.473 -16.018 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.233 -14.246 -2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.415 -16.590 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.108 -16.981 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.364 -14.770 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.217 -15.946 -3.006 1.00 0.00 H new ATOM 313 N ASP A 21 -1.154 -13.501 -1.389 1.00 0.00 N ATOM 314 CA ASP A 21 -1.230 -13.192 0.040 1.00 0.00 C ATOM 315 C ASP A 21 -0.373 -11.982 0.389 1.00 0.00 C ATOM 316 O ASP A 21 -0.768 -11.190 1.225 1.00 0.00 O ATOM 317 CB ASP A 21 -0.757 -14.407 0.860 1.00 0.00 C ATOM 318 CG ASP A 21 -1.563 -14.689 2.131 1.00 0.00 C ATOM 319 OD1 ASP A 21 -2.083 -13.761 2.784 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.745 -15.898 2.430 1.00 0.00 O ATOM 0 H ASP A 21 -0.889 -14.470 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.267 -12.961 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.792 -15.291 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.286 -14.255 1.137 1.00 0.00 H new ATOM 325 N ARG A 22 0.753 -11.760 -0.298 1.00 0.00 N ATOM 326 CA ARG A 22 1.640 -10.619 -0.040 1.00 0.00 C ATOM 327 C ARG A 22 0.932 -9.258 -0.141 1.00 0.00 C ATOM 328 O ARG A 22 1.288 -8.330 0.582 1.00 0.00 O ATOM 329 CB ARG A 22 2.856 -10.676 -0.975 1.00 0.00 C ATOM 330 CG ARG A 22 3.666 -11.989 -0.861 1.00 0.00 C ATOM 331 CD ARG A 22 5.167 -11.856 -1.184 1.00 0.00 C ATOM 332 NE ARG A 22 5.426 -10.860 -2.237 1.00 0.00 N ATOM 333 CZ ARG A 22 6.605 -10.294 -2.516 1.00 0.00 C ATOM 334 NH1 ARG A 22 7.739 -10.724 -1.983 1.00 0.00 N ATOM 335 NH2 ARG A 22 6.644 -9.244 -3.326 1.00 0.00 N ATOM 0 H ARG A 22 1.076 -12.368 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 22 1.972 -10.705 0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.518 -10.556 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.512 -9.834 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.560 -12.377 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.229 -12.728 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.707 -11.575 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.556 -12.824 -1.499 1.00 0.00 H new ATOM 0 HE ARG A 22 4.630 -10.575 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.732 -11.512 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.619 -10.267 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.781 -8.878 -3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.537 -8.803 -3.547 1.00 0.00 H new ATOM 349 N THR A 23 -0.053 -9.121 -1.030 1.00 0.00 N ATOM 350 CA THR A 23 -0.912 -7.942 -1.108 1.00 0.00 C ATOM 351 C THR A 23 -1.837 -7.891 0.135 1.00 0.00 C ATOM 352 O THR A 23 -2.016 -6.815 0.709 1.00 0.00 O ATOM 353 CB THR A 23 -1.647 -7.995 -2.471 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.797 -7.645 -3.545 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.908 -7.134 -2.576 1.00 0.00 C ATOM 0 H THR A 23 -0.278 -9.835 -1.723 1.00 0.00 H new ATOM 0 HA THR A 23 -0.353 -7.007 -1.080 1.00 0.00 H new ATOM 0 HB THR A 23 -1.958 -9.038 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.153 -8.367 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.343 -7.245 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.631 -7.454 -1.826 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.650 -6.088 -2.408 1.00 0.00 H new ATOM 363 N GLU A 24 -2.403 -9.022 0.577 1.00 0.00 N ATOM 364 CA GLU A 24 -3.269 -9.125 1.751 1.00 0.00 C ATOM 365 C GLU A 24 -2.511 -8.804 3.023 1.00 0.00 C ATOM 366 O GLU A 24 -3.106 -8.230 3.934 1.00 0.00 O ATOM 367 CB GLU A 24 -3.900 -10.519 1.921 1.00 0.00 C ATOM 368 CG GLU A 24 -5.329 -10.597 1.398 1.00 0.00 C ATOM 369 CD GLU A 24 -6.073 -11.800 1.985 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.232 -11.850 3.225 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.479 -12.677 1.192 1.00 0.00 O ATOM 0 H GLU A 24 -2.264 -9.918 0.109 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.064 -8.399 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.288 -11.254 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.891 -10.789 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.861 -9.680 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.317 -10.670 0.311 1.00 0.00 H new ATOM 378 N GLU A 25 -1.223 -9.148 3.083 1.00 0.00 N ATOM 379 CA GLU A 25 -0.438 -8.923 4.274 1.00 0.00 C ATOM 380 C GLU A 25 -0.465 -7.432 4.582 1.00 0.00 C ATOM 381 O GLU A 25 -0.745 -7.065 5.716 1.00 0.00 O ATOM 382 CB GLU A 25 1.012 -9.386 4.128 1.00 0.00 C ATOM 383 CG GLU A 25 1.271 -10.870 3.916 1.00 0.00 C ATOM 384 CD GLU A 25 2.764 -11.126 4.106 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.594 -10.627 3.314 1.00 0.00 O ATOM 386 OE2 GLU A 25 3.151 -11.749 5.121 1.00 0.00 O ATOM 0 H GLU A 25 -0.712 -9.583 2.315 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.874 -9.509 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.451 -8.847 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.553 -9.077 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.691 -11.462 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.958 -11.171 2.916 1.00 0.00 H new ATOM 393 N ILE A 26 -0.202 -6.594 3.568 1.00 0.00 N ATOM 394 CA ILE A 26 -0.260 -5.136 3.673 1.00 0.00 C ATOM 395 C ILE A 26 -1.695 -4.698 4.008 1.00 0.00 C ATOM 396 O ILE A 26 -1.859 -3.864 4.897 1.00 0.00 O ATOM 397 CB ILE A 26 0.267 -4.462 2.379 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.783 -4.695 2.148 1.00 0.00 C ATOM 399 CG2 ILE A 26 0.034 -2.936 2.385 1.00 0.00 C ATOM 400 CD1 ILE A 26 2.107 -4.813 0.657 1.00 0.00 C ATOM 0 H ILE A 26 0.061 -6.920 2.638 1.00 0.00 H new ATOM 0 HA ILE A 26 0.392 -4.810 4.483 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.300 -4.933 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.350 -3.871 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.096 -5.603 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.418 -2.506 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.034 -2.731 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.553 -2.492 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.177 -4.976 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.559 -5.653 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.816 -3.894 0.148 1.00 0.00 H new ATOM 412 N LEU A 27 -2.712 -5.214 3.297 1.00 0.00 N ATOM 413 CA LEU A 27 -4.123 -4.865 3.513 1.00 0.00 C ATOM 414 C LEU A 27 -4.478 -5.027 4.999 1.00 0.00 C ATOM 415 O LEU A 27 -4.750 -4.029 5.670 1.00 0.00 O ATOM 416 CB LEU A 27 -5.064 -5.720 2.629 1.00 0.00 C ATOM 417 CG LEU A 27 -5.157 -5.400 1.122 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.933 -6.492 0.361 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.874 -4.074 0.892 1.00 0.00 C ATOM 0 H LEU A 27 -2.574 -5.893 2.548 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.264 -3.824 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.755 -6.761 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.068 -5.645 3.046 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.134 -5.348 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.979 -6.235 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.425 -7.449 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.944 -6.566 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.927 -3.870 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.883 -4.130 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.325 -3.273 1.387 1.00 0.00 H new ATOM 431 N SER A 28 -4.448 -6.261 5.514 1.00 0.00 N ATOM 432 CA SER A 28 -4.859 -6.539 6.880 1.00 0.00 C ATOM 433 C SER A 28 -3.920 -5.901 7.907 1.00 0.00 C ATOM 434 O SER A 28 -4.394 -5.517 8.981 1.00 0.00 O ATOM 435 CB SER A 28 -4.965 -8.054 7.127 1.00 0.00 C ATOM 436 OG SER A 28 -6.242 -8.567 6.809 1.00 0.00 O ATOM 0 H SER A 28 -4.140 -7.083 4.995 1.00 0.00 H new ATOM 0 HA SER A 28 -5.844 -6.091 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.212 -8.569 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.743 -8.264 8.173 1.00 0.00 H new ATOM 0 HG SER A 28 -6.259 -9.532 6.981 1.00 0.00 H new ATOM 442 N TRP A 29 -2.628 -5.742 7.594 1.00 0.00 N ATOM 443 CA TRP A 29 -1.680 -5.104 8.498 1.00 0.00 C ATOM 444 C TRP A 29 -2.098 -3.671 8.790 1.00 0.00 C ATOM 445 O TRP A 29 -1.911 -3.199 9.921 1.00 0.00 O ATOM 446 CB TRP A 29 -0.278 -5.144 7.881 1.00 0.00 C ATOM 447 CG TRP A 29 0.780 -4.358 8.576 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.295 -4.668 9.779 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.453 -3.138 8.155 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.227 -3.722 10.142 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.336 -2.729 9.197 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.401 -2.331 7.002 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.108 -1.561 9.114 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.193 -1.175 6.893 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.048 -0.790 7.944 1.00 0.00 C ATOM 0 H TRP A 29 -2.219 -6.051 6.712 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.668 -5.648 9.443 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.045 -6.184 7.836 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.348 -4.787 6.853 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.019 -5.528 10.371 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.770 -3.754 11.005 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.743 -2.604 6.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.738 -1.260 9.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.146 -0.577 5.995 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.656 0.097 7.849 1.00 0.00 H new ATOM 466 N VAL A 30 -2.672 -2.958 7.805 1.00 0.00 N ATOM 467 CA VAL A 30 -2.975 -1.572 8.087 1.00 0.00 C ATOM 468 C VAL A 30 -4.187 -1.568 8.993 1.00 0.00 C ATOM 469 O VAL A 30 -4.206 -0.864 9.982 1.00 0.00 O ATOM 470 CB VAL A 30 -3.256 -0.713 6.855 1.00 0.00 C ATOM 471 CG1 VAL A 30 -2.101 -0.600 5.848 1.00 0.00 C ATOM 472 CG2 VAL A 30 -4.667 -0.564 6.287 1.00 0.00 C ATOM 0 H VAL A 30 -2.916 -3.299 6.875 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.093 -1.124 8.545 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.286 0.236 7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.406 0.031 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.233 -0.159 6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.843 -1.592 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.641 0.088 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.048 -1.543 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.320 -0.130 7.044 1.00 0.00 H new ATOM 482 N ALA A 31 -5.197 -2.359 8.667 1.00 0.00 N ATOM 483 CA ALA A 31 -6.426 -2.445 9.445 1.00 0.00 C ATOM 484 C ALA A 31 -6.168 -2.825 10.909 1.00 0.00 C ATOM 485 O ALA A 31 -7.068 -2.650 11.736 1.00 0.00 O ATOM 486 CB ALA A 31 -7.399 -3.434 8.804 1.00 0.00 C ATOM 0 H ALA A 31 -5.188 -2.966 7.847 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.872 -1.451 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.311 -3.485 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.642 -3.103 7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.939 -4.421 8.761 1.00 0.00 H new ATOM 492 N ALA A 32 -4.961 -3.302 11.244 1.00 0.00 N ATOM 493 CA ALA A 32 -4.453 -3.299 12.594 1.00 0.00 C ATOM 494 C ALA A 32 -3.819 -1.958 12.949 1.00 0.00 C ATOM 495 O ALA A 32 -4.325 -1.271 13.836 1.00 0.00 O ATOM 496 CB ALA A 32 -3.477 -4.451 12.799 1.00 0.00 C ATOM 0 H ALA A 32 -4.313 -3.703 10.565 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.293 -3.444 13.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.103 -4.434 13.823 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.987 -5.397 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.642 -4.348 12.106 1.00 0.00 H new ATOM 502 N THR A 33 -2.686 -1.630 12.321 1.00 0.00 N ATOM 503 CA THR A 33 -1.781 -0.593 12.775 1.00 0.00 C ATOM 504 C THR A 33 -2.344 0.806 12.521 1.00 0.00 C ATOM 505 O THR A 33 -2.210 1.677 13.382 1.00 0.00 O ATOM 506 CB THR A 33 -0.431 -0.748 12.061 1.00 0.00 C ATOM 507 OG1 THR A 33 0.055 -2.080 12.046 1.00 0.00 O ATOM 508 CG2 THR A 33 0.653 0.003 12.840 1.00 0.00 C ATOM 0 H THR A 33 -2.374 -2.092 11.467 1.00 0.00 H new ATOM 0 HA THR A 33 -1.652 -0.705 13.852 1.00 0.00 H new ATOM 0 HB THR A 33 -0.611 -0.383 11.050 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.455 -2.607 11.396 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.610 -0.109 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.394 1.060 12.897 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.728 -0.407 13.847 1.00 0.00 H new ATOM 516 N PHE A 34 -2.956 1.020 11.346 1.00 0.00 N ATOM 517 CA PHE A 34 -3.643 2.198 10.882 1.00 0.00 C ATOM 518 C PHE A 34 -5.126 1.861 10.693 1.00 0.00 C ATOM 519 O PHE A 34 -5.602 1.770 9.562 1.00 0.00 O ATOM 520 CB PHE A 34 -2.946 2.893 9.688 1.00 0.00 C ATOM 521 CG PHE A 34 -1.473 2.592 9.609 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.629 2.987 10.649 1.00 0.00 C ATOM 523 CD2 PHE A 34 -0.996 1.724 8.615 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.663 2.461 10.720 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.293 1.195 8.684 1.00 0.00 C ATOM 526 CZ PHE A 34 1.128 1.558 9.745 1.00 0.00 C ATOM 0 H PHE A 34 -2.974 0.286 10.637 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.590 2.978 11.641 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.426 2.578 8.761 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.087 3.971 9.770 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.972 3.692 11.391 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.636 1.462 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.313 2.750 11.532 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.643 0.511 7.925 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.125 1.148 9.816 1.00 0.00 H new ATOM 536 N PRO A 35 -5.885 1.686 11.792 1.00 0.00 N ATOM 537 CA PRO A 35 -7.306 1.358 11.741 1.00 0.00 C ATOM 538 C PRO A 35 -8.165 2.576 11.340 1.00 0.00 C ATOM 539 O PRO A 35 -9.359 2.411 11.097 1.00 0.00 O ATOM 540 CB PRO A 35 -7.634 0.879 13.162 1.00 0.00 C ATOM 541 CG PRO A 35 -6.718 1.740 14.025 1.00 0.00 C ATOM 542 CD PRO A 35 -5.470 1.881 13.179 1.00 0.00 C ATOM 0 HA PRO A 35 -7.525 0.602 10.987 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.685 1.032 13.409 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.429 -0.184 13.289 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.166 2.709 14.244 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.503 1.264 14.982 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.019 2.864 13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.721 1.144 13.467 1.00 0.00 H new ATOM 550 N ASN A 36 -7.574 3.780 11.288 1.00 0.00 N ATOM 551 CA ASN A 36 -8.226 5.044 10.919 1.00 0.00 C ATOM 552 C ASN A 36 -8.752 5.027 9.496 1.00 0.00 C ATOM 553 O ASN A 36 -9.787 5.633 9.211 1.00 0.00 O ATOM 554 CB ASN A 36 -7.236 6.226 11.047 1.00 0.00 C ATOM 555 CG ASN A 36 -7.746 7.250 12.043 1.00 0.00 C ATOM 556 OD1 ASN A 36 -7.706 6.983 13.242 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.206 8.391 11.570 1.00 0.00 N ATOM 0 H ASN A 36 -6.587 3.903 11.512 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.064 5.166 11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.261 5.857 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.097 6.697 10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.552 9.106 12.210 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.216 8.559 10.564 1.00 0.00 H new ATOM 564 N LEU A 37 -7.982 4.416 8.593 1.00 0.00 N ATOM 565 CA LEU A 37 -8.255 4.451 7.179 1.00 0.00 C ATOM 566 C LEU A 37 -9.356 3.428 6.938 1.00 0.00 C ATOM 567 O LEU A 37 -9.373 2.348 7.547 1.00 0.00 O ATOM 568 CB LEU A 37 -7.014 4.111 6.323 1.00 0.00 C ATOM 569 CG LEU A 37 -5.725 4.875 6.653 1.00 0.00 C ATOM 570 CD1 LEU A 37 -5.970 6.368 6.542 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.097 4.388 7.914 1.00 0.00 C ATOM 0 H LEU A 37 -7.148 3.882 8.838 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.551 5.458 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.813 3.044 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.261 4.293 5.277 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.954 4.663 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.052 6.906 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.283 6.611 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.752 6.661 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.187 4.956 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.793 4.521 8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.850 3.331 7.813 1.00 0.00 H new ATOM 583 N GLU A 38 -10.234 3.726 6.000 1.00 0.00 N ATOM 584 CA GLU A 38 -11.425 2.958 5.716 1.00 0.00 C ATOM 585 C GLU A 38 -11.249 2.288 4.356 1.00 0.00 C ATOM 586 O GLU A 38 -10.560 2.843 3.492 1.00 0.00 O ATOM 587 CB GLU A 38 -12.627 3.911 5.715 1.00 0.00 C ATOM 588 CG GLU A 38 -13.006 4.342 7.135 1.00 0.00 C ATOM 589 CD GLU A 38 -13.651 3.190 7.907 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.830 2.867 7.639 1.00 0.00 O ATOM 591 OE2 GLU A 38 -12.995 2.581 8.780 1.00 0.00 O ATOM 0 H GLU A 38 -10.131 4.540 5.394 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.593 2.187 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.393 4.792 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.479 3.422 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.117 4.685 7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.696 5.185 7.091 1.00 0.00 H new ATOM 598 N PRO A 39 -11.869 1.116 4.146 1.00 0.00 N ATOM 599 CA PRO A 39 -11.746 0.378 2.903 1.00 0.00 C ATOM 600 C PRO A 39 -12.491 1.112 1.791 1.00 0.00 C ATOM 601 O PRO A 39 -13.600 1.597 2.023 1.00 0.00 O ATOM 602 CB PRO A 39 -12.385 -0.985 3.187 1.00 0.00 C ATOM 603 CG PRO A 39 -13.434 -0.669 4.253 1.00 0.00 C ATOM 604 CD PRO A 39 -12.740 0.411 5.078 1.00 0.00 C ATOM 0 HA PRO A 39 -10.712 0.274 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.838 -1.411 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.651 -1.706 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.365 -0.311 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.681 -1.545 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.466 1.089 5.526 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.167 -0.027 5.895 1.00 0.00 H new ATOM 612 N GLN A 40 -11.941 1.170 0.577 1.00 0.00 N ATOM 613 CA GLN A 40 -12.665 1.680 -0.571 1.00 0.00 C ATOM 614 C GLN A 40 -12.059 1.030 -1.810 1.00 0.00 C ATOM 615 O GLN A 40 -10.982 1.419 -2.242 1.00 0.00 O ATOM 616 CB GLN A 40 -12.583 3.224 -0.593 1.00 0.00 C ATOM 617 CG GLN A 40 -13.152 3.812 -1.892 1.00 0.00 C ATOM 618 CD GLN A 40 -13.547 5.290 -1.822 1.00 0.00 C ATOM 619 OE1 GLN A 40 -14.516 5.710 -2.443 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.811 6.151 -1.134 1.00 0.00 N ATOM 0 H GLN A 40 -10.989 0.866 0.371 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.726 1.434 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.131 3.628 0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.544 3.533 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.412 3.687 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.028 3.232 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.000 5.823 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.056 7.141 -1.129 1.00 0.00 H new ATOM 629 N MET A 41 -12.718 0.025 -2.383 1.00 0.00 N ATOM 630 CA MET A 41 -12.359 -0.468 -3.707 1.00 0.00 C ATOM 631 C MET A 41 -12.759 0.592 -4.729 1.00 0.00 C ATOM 632 O MET A 41 -13.948 0.741 -5.028 1.00 0.00 O ATOM 633 CB MET A 41 -13.079 -1.790 -3.985 1.00 0.00 C ATOM 634 CG MET A 41 -12.316 -3.004 -3.483 1.00 0.00 C ATOM 635 SD MET A 41 -10.715 -3.373 -4.243 1.00 0.00 S ATOM 636 CE MET A 41 -11.269 -3.701 -5.910 1.00 0.00 C ATOM 0 H MET A 41 -13.503 -0.462 -1.950 1.00 0.00 H new ATOM 0 HA MET A 41 -11.287 -0.653 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.062 -1.767 -3.515 1.00 0.00 H new ATOM 0 HB3 MET A 41 -13.241 -1.889 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 41 -12.157 -2.879 -2.412 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.956 -3.877 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.438 -4.087 -6.500 1.00 0.00 H new ATOM 0 HE2 MET A 41 -12.072 -4.438 -5.888 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.636 -2.778 -6.360 1.00 0.00 H new ATOM 646 N LYS A 42 -11.793 1.329 -5.273 1.00 0.00 N ATOM 647 CA LYS A 42 -12.015 2.289 -6.352 1.00 0.00 C ATOM 648 C LYS A 42 -11.360 1.710 -7.590 1.00 0.00 C ATOM 649 O LYS A 42 -10.318 1.093 -7.456 1.00 0.00 O ATOM 650 CB LYS A 42 -11.413 3.651 -5.953 1.00 0.00 C ATOM 651 CG LYS A 42 -12.255 4.818 -6.482 1.00 0.00 C ATOM 652 CD LYS A 42 -13.566 4.978 -5.696 1.00 0.00 C ATOM 653 CE LYS A 42 -14.708 5.433 -6.613 1.00 0.00 C ATOM 654 NZ LYS A 42 -16.023 5.026 -6.080 1.00 0.00 N ATOM 0 H LYS A 42 -10.820 1.275 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.074 2.458 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.344 3.715 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.398 3.729 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.678 5.741 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.481 4.655 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.829 4.031 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.427 5.704 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.678 6.517 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.569 5.008 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.773 5.349 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.059 3.990 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.164 5.452 -5.142 1.00 0.00 H new ATOM 668 N TRP A 43 -11.943 1.880 -8.775 1.00 0.00 N ATOM 669 CA TRP A 43 -11.376 1.391 -10.035 1.00 0.00 C ATOM 670 C TRP A 43 -11.036 -0.111 -10.085 1.00 0.00 C ATOM 671 O TRP A 43 -10.330 -0.543 -10.996 1.00 0.00 O ATOM 672 CB TRP A 43 -10.204 2.290 -10.460 1.00 0.00 C ATOM 673 CG TRP A 43 -10.567 3.378 -11.417 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.231 4.511 -11.108 1.00 0.00 C ATOM 675 CD2 TRP A 43 -10.325 3.432 -12.855 1.00 0.00 C ATOM 676 NE1 TRP A 43 -11.305 5.320 -12.223 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.728 4.716 -13.322 1.00 0.00 C ATOM 678 CE3 TRP A 43 -9.818 2.528 -13.815 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -10.530 5.121 -14.649 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -9.674 2.902 -15.165 1.00 0.00 C ATOM 681 CH2 TRP A 43 -9.999 4.207 -15.578 1.00 0.00 C ATOM 0 H TRP A 43 -12.832 2.366 -8.891 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.175 1.466 -10.773 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.767 2.740 -9.568 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.433 1.668 -10.914 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.641 4.748 -10.138 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.732 6.246 -12.234 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.536 1.532 -13.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.783 6.125 -14.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.313 2.184 -15.886 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.842 4.506 -16.604 1.00 0.00 H new ATOM 692 N ASN A 44 -11.600 -0.929 -9.191 1.00 0.00 N ATOM 693 CA ASN A 44 -11.241 -2.326 -8.987 1.00 0.00 C ATOM 694 C ASN A 44 -9.782 -2.456 -8.523 1.00 0.00 C ATOM 695 O ASN A 44 -9.114 -3.442 -8.828 1.00 0.00 O ATOM 696 CB ASN A 44 -11.533 -3.220 -10.192 1.00 0.00 C ATOM 697 CG ASN A 44 -11.870 -4.650 -9.754 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.002 -5.445 -9.418 1.00 0.00 O ATOM 699 ND2 ASN A 44 -13.140 -5.018 -9.712 1.00 0.00 N ATOM 0 H ASN A 44 -12.347 -0.620 -8.569 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.891 -2.693 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.365 -2.806 -10.762 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.668 -3.234 -10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.389 -5.957 -9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.870 -4.363 -9.990 1.00 0.00 H new ATOM 706 N THR A 45 -9.262 -1.479 -7.786 1.00 0.00 N ATOM 707 CA THR A 45 -7.955 -1.566 -7.174 1.00 0.00 C ATOM 708 C THR A 45 -8.070 -1.211 -5.675 1.00 0.00 C ATOM 709 O THR A 45 -8.938 -0.428 -5.267 1.00 0.00 O ATOM 710 CB THR A 45 -6.950 -0.699 -7.953 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.395 0.624 -8.148 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.674 -1.271 -9.347 1.00 0.00 C ATOM 0 H THR A 45 -9.746 -0.601 -7.600 1.00 0.00 H new ATOM 0 HA THR A 45 -7.567 -2.583 -7.223 1.00 0.00 H new ATOM 0 HB THR A 45 -6.052 -0.701 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.288 0.730 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.960 -0.633 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.261 -2.275 -9.253 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.604 -1.313 -9.914 1.00 0.00 H new ATOM 720 N PRO A 46 -7.242 -1.833 -4.821 1.00 0.00 N ATOM 721 CA PRO A 46 -7.237 -1.601 -3.378 1.00 0.00 C ATOM 722 C PRO A 46 -6.622 -0.245 -2.997 1.00 0.00 C ATOM 723 O PRO A 46 -5.509 0.103 -3.398 1.00 0.00 O ATOM 724 CB PRO A 46 -6.434 -2.770 -2.799 1.00 0.00 C ATOM 725 CG PRO A 46 -5.541 -3.225 -3.953 1.00 0.00 C ATOM 726 CD PRO A 46 -6.395 -2.962 -5.172 1.00 0.00 C ATOM 0 HA PRO A 46 -8.251 -1.557 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.843 -2.458 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.089 -3.574 -2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.608 -2.663 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.276 -4.279 -3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.778 -2.734 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.994 -3.836 -5.427 1.00 0.00 H new ATOM 734 N MET A 47 -7.331 0.525 -2.173 1.00 0.00 N ATOM 735 CA MET A 47 -6.844 1.769 -1.579 1.00 0.00 C ATOM 736 C MET A 47 -7.629 2.053 -0.293 1.00 0.00 C ATOM 737 O MET A 47 -8.674 1.430 -0.076 1.00 0.00 O ATOM 738 CB MET A 47 -6.928 2.908 -2.620 1.00 0.00 C ATOM 739 CG MET A 47 -8.284 3.035 -3.325 1.00 0.00 C ATOM 740 SD MET A 47 -8.989 4.704 -3.395 1.00 0.00 S ATOM 741 CE MET A 47 -9.177 4.968 -1.615 1.00 0.00 C ATOM 0 H MET A 47 -8.284 0.295 -1.893 1.00 0.00 H new ATOM 0 HA MET A 47 -5.794 1.686 -1.298 1.00 0.00 H new ATOM 0 HB2 MET A 47 -6.702 3.852 -2.124 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.156 2.751 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.178 2.664 -4.344 1.00 0.00 H new ATOM 0 HG3 MET A 47 -8.996 2.382 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.990 5.671 -1.435 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.404 4.019 -1.128 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.251 5.373 -1.207 1.00 0.00 H new ATOM 751 N PHE A 48 -7.150 2.973 0.556 1.00 0.00 N ATOM 752 CA PHE A 48 -7.845 3.352 1.791 1.00 0.00 C ATOM 753 C PHE A 48 -8.035 4.864 1.837 1.00 0.00 C ATOM 754 O PHE A 48 -7.369 5.617 1.126 1.00 0.00 O ATOM 755 CB PHE A 48 -7.160 2.854 3.090 1.00 0.00 C ATOM 756 CG PHE A 48 -6.368 1.571 3.003 1.00 0.00 C ATOM 757 CD1 PHE A 48 -6.990 0.396 2.571 1.00 0.00 C ATOM 758 CD2 PHE A 48 -4.995 1.567 3.305 1.00 0.00 C ATOM 759 CE1 PHE A 48 -6.217 -0.749 2.309 1.00 0.00 C ATOM 760 CE2 PHE A 48 -4.217 0.435 3.022 1.00 0.00 C ATOM 761 CZ PHE A 48 -4.820 -0.719 2.504 1.00 0.00 C ATOM 0 H PHE A 48 -6.274 3.473 0.406 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.811 2.848 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.492 3.640 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.930 2.725 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.062 0.368 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.539 2.436 3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.693 -1.653 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.152 0.453 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.219 -1.581 2.255 1.00 0.00 H new ATOM 771 N SER A 49 -8.926 5.308 2.716 1.00 0.00 N ATOM 772 CA SER A 49 -9.375 6.685 2.809 1.00 0.00 C ATOM 773 C SER A 49 -9.416 7.058 4.280 1.00 0.00 C ATOM 774 O SER A 49 -10.121 6.408 5.047 1.00 0.00 O ATOM 775 CB SER A 49 -10.763 6.787 2.174 1.00 0.00 C ATOM 776 OG SER A 49 -10.694 6.561 0.779 1.00 0.00 O ATOM 0 H SER A 49 -9.367 4.697 3.404 1.00 0.00 H new ATOM 0 HA SER A 49 -8.706 7.367 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.432 6.059 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.185 7.773 2.367 1.00 0.00 H new ATOM 0 HG SER A 49 -10.165 7.271 0.358 1.00 0.00 H new ATOM 782 N ASN A 50 -8.653 8.068 4.701 1.00 0.00 N ATOM 783 CA ASN A 50 -8.705 8.518 6.093 1.00 0.00 C ATOM 784 C ASN A 50 -9.959 9.347 6.278 1.00 0.00 C ATOM 785 O ASN A 50 -9.924 10.547 6.035 1.00 0.00 O ATOM 786 CB ASN A 50 -7.472 9.339 6.477 1.00 0.00 C ATOM 787 CG ASN A 50 -7.587 9.755 7.933 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.897 8.933 8.792 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.349 11.013 8.230 1.00 0.00 N ATOM 0 H ASN A 50 -8.001 8.583 4.109 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.720 7.644 6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.566 8.752 6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.393 10.219 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.420 11.331 9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.094 11.671 7.494 1.00 0.00 H new ATOM 796 N GLN A 51 -11.080 8.725 6.640 1.00 0.00 N ATOM 797 CA GLN A 51 -12.372 9.405 6.662 1.00 0.00 C ATOM 798 C GLN A 51 -12.594 10.122 5.313 1.00 0.00 C ATOM 799 O GLN A 51 -12.805 11.333 5.246 1.00 0.00 O ATOM 800 CB GLN A 51 -12.481 10.323 7.902 1.00 0.00 C ATOM 801 CG GLN A 51 -11.821 9.726 9.153 1.00 0.00 C ATOM 802 CD GLN A 51 -12.143 10.522 10.407 1.00 0.00 C ATOM 803 OE1 GLN A 51 -12.120 11.751 10.419 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.438 9.821 11.487 1.00 0.00 N ATOM 0 H GLN A 51 -11.118 7.746 6.923 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.185 8.687 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.018 11.284 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.533 10.518 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.156 8.697 9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.741 9.695 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.449 8.802 11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.655 10.299 12.362 1.00 0.00 H new ATOM 813 N GLY A 52 -12.423 9.385 4.209 1.00 0.00 N ATOM 814 CA GLY A 52 -12.779 9.864 2.877 1.00 0.00 C ATOM 815 C GLY A 52 -11.643 10.408 1.996 1.00 0.00 C ATOM 816 O GLY A 52 -11.931 10.782 0.859 1.00 0.00 O ATOM 0 H GLY A 52 -12.034 8.442 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.259 9.045 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.525 10.651 2.990 1.00 0.00 H new ATOM 820 N THR A 53 -10.378 10.452 2.429 1.00 0.00 N ATOM 821 CA THR A 53 -9.264 10.967 1.606 1.00 0.00 C ATOM 822 C THR A 53 -8.735 9.902 0.616 1.00 0.00 C ATOM 823 O THR A 53 -9.394 8.885 0.380 1.00 0.00 O ATOM 824 CB THR A 53 -8.144 11.540 2.502 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.493 11.559 3.859 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.731 12.950 2.070 1.00 0.00 C ATOM 0 H THR A 53 -10.092 10.134 3.355 1.00 0.00 H new ATOM 0 HA THR A 53 -9.648 11.784 0.996 1.00 0.00 H new ATOM 0 HB THR A 53 -7.298 10.864 2.375 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.751 11.928 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.941 13.315 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.366 12.924 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.591 13.616 2.132 1.00 0.00 H new ATOM 834 N PHE A 54 -7.557 10.118 0.012 1.00 0.00 N ATOM 835 CA PHE A 54 -6.933 9.242 -0.992 1.00 0.00 C ATOM 836 C PHE A 54 -5.485 8.856 -0.629 1.00 0.00 C ATOM 837 O PHE A 54 -4.756 8.334 -1.464 1.00 0.00 O ATOM 838 CB PHE A 54 -7.009 9.955 -2.354 1.00 0.00 C ATOM 839 CG PHE A 54 -6.584 9.122 -3.554 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.413 8.084 -4.018 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.380 9.398 -4.231 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.051 7.334 -5.147 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.009 8.638 -5.353 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.842 7.607 -5.807 1.00 0.00 C ATOM 0 H PHE A 54 -6.990 10.941 0.218 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.477 8.298 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.034 10.291 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.384 10.847 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.335 7.863 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.740 10.197 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.700 6.549 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.082 8.849 -5.865 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.553 7.021 -6.667 1.00 0.00 H new ATOM 854 N ILE A 55 -5.058 9.125 0.607 1.00 0.00 N ATOM 855 CA ILE A 55 -3.665 9.164 1.062 1.00 0.00 C ATOM 856 C ILE A 55 -2.943 7.795 0.985 1.00 0.00 C ATOM 857 O ILE A 55 -1.824 7.674 1.474 1.00 0.00 O ATOM 858 CB ILE A 55 -3.633 9.796 2.488 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.319 11.187 2.586 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.201 9.972 3.042 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.719 11.590 4.021 1.00 0.00 C ATOM 0 H ILE A 55 -5.713 9.334 1.361 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.091 9.788 0.377 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.191 9.071 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.645 11.942 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.210 11.186 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.248 10.416 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.712 9.000 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.632 10.624 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.191 12.572 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.419 10.857 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.830 11.625 4.650 1.00 0.00 H new ATOM 873 N ILE A 56 -3.523 6.723 0.435 1.00 0.00 N ATOM 874 CA ILE A 56 -2.841 5.460 0.232 1.00 0.00 C ATOM 875 C ILE A 56 -3.575 4.613 -0.809 1.00 0.00 C ATOM 876 O ILE A 56 -4.788 4.424 -0.704 1.00 0.00 O ATOM 877 CB ILE A 56 -2.712 4.767 1.596 1.00 0.00 C ATOM 878 CG1 ILE A 56 -1.994 3.415 1.422 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.043 4.658 2.364 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.340 3.050 2.742 1.00 0.00 C ATOM 0 H ILE A 56 -4.492 6.718 0.117 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.840 5.615 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.098 5.400 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.704 2.644 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.245 3.481 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.873 4.158 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.442 5.656 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.757 4.083 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.825 2.095 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.622 3.822 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.103 2.971 3.516 1.00 0.00 H new ATOM 892 N GLY A 57 -2.849 4.050 -1.783 1.00 0.00 N ATOM 893 CA GLY A 57 -3.411 3.084 -2.720 1.00 0.00 C ATOM 894 C GLY A 57 -2.341 2.278 -3.444 1.00 0.00 C ATOM 895 O GLY A 57 -1.193 2.724 -3.557 1.00 0.00 O ATOM 0 H GLY A 57 -1.862 4.253 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.071 2.404 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.023 3.609 -3.453 1.00 0.00 H new ATOM 899 N PHE A 58 -2.711 1.097 -3.947 1.00 0.00 N ATOM 900 CA PHE A 58 -1.794 0.166 -4.594 1.00 0.00 C ATOM 901 C PHE A 58 -2.526 -0.771 -5.563 1.00 0.00 C ATOM 902 O PHE A 58 -3.755 -0.796 -5.588 1.00 0.00 O ATOM 903 CB PHE A 58 -1.013 -0.588 -3.508 1.00 0.00 C ATOM 904 CG PHE A 58 -1.741 -1.248 -2.346 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.251 -2.552 -2.476 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.755 -0.631 -1.079 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.775 -3.229 -1.360 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.251 -1.320 0.043 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.751 -2.629 -0.091 1.00 0.00 C ATOM 0 H PHE A 58 -3.673 0.759 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.084 0.717 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.436 -1.366 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.297 0.115 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.240 -3.038 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.383 0.377 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.198 -4.215 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.248 -0.842 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.112 -3.166 0.773 1.00 0.00 H new ATOM 919 N SER A 59 -1.810 -1.528 -6.408 1.00 0.00 N ATOM 920 CA SER A 59 -2.433 -2.586 -7.218 1.00 0.00 C ATOM 921 C SER A 59 -1.365 -3.551 -7.750 1.00 0.00 C ATOM 922 O SER A 59 -0.189 -3.176 -7.874 1.00 0.00 O ATOM 923 CB SER A 59 -3.300 -2.014 -8.367 1.00 0.00 C ATOM 924 OG SER A 59 -3.341 -0.592 -8.407 1.00 0.00 O ATOM 0 H SER A 59 -0.805 -1.428 -6.548 1.00 0.00 H new ATOM 0 HA SER A 59 -3.109 -3.141 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.915 -2.383 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.317 -2.394 -8.265 1.00 0.00 H new ATOM 0 HG SER A 59 -3.903 -0.302 -9.155 1.00 0.00 H new ATOM 930 N THR A 60 -1.760 -4.776 -8.105 1.00 0.00 N ATOM 931 CA THR A 60 -0.858 -5.819 -8.572 1.00 0.00 C ATOM 932 C THR A 60 -0.460 -5.562 -10.030 1.00 0.00 C ATOM 933 O THR A 60 -1.297 -5.594 -10.939 1.00 0.00 O ATOM 934 CB THR A 60 -1.448 -7.227 -8.344 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.674 -7.497 -8.994 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.718 -7.511 -6.869 1.00 0.00 C ATOM 0 H THR A 60 -2.736 -5.071 -8.073 1.00 0.00 H new ATOM 0 HA THR A 60 0.055 -5.784 -7.978 1.00 0.00 H new ATOM 0 HB THR A 60 -0.667 -7.858 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.323 -6.797 -8.771 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.132 -8.513 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.786 -7.442 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.429 -6.781 -6.482 1.00 0.00 H new ATOM 944 N SER A 61 0.814 -5.255 -10.265 1.00 0.00 N ATOM 945 CA SER A 61 1.356 -5.086 -11.601 1.00 0.00 C ATOM 946 C SER A 61 1.879 -6.439 -12.092 1.00 0.00 C ATOM 947 O SER A 61 2.078 -7.377 -11.306 1.00 0.00 O ATOM 948 CB SER A 61 2.468 -4.028 -11.566 1.00 0.00 C ATOM 949 OG SER A 61 2.771 -3.574 -12.866 1.00 0.00 O ATOM 0 H SER A 61 1.501 -5.117 -9.524 1.00 0.00 H new ATOM 0 HA SER A 61 0.587 -4.741 -12.292 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.156 -3.187 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.362 -4.449 -11.106 1.00 0.00 H new ATOM 0 HG SER A 61 3.651 -3.142 -12.865 1.00 0.00 H new ATOM 955 N LYS A 62 2.180 -6.502 -13.393 1.00 0.00 N ATOM 956 CA LYS A 62 2.624 -7.703 -14.101 1.00 0.00 C ATOM 957 C LYS A 62 3.761 -8.448 -13.406 1.00 0.00 C ATOM 958 O LYS A 62 3.873 -9.658 -13.603 1.00 0.00 O ATOM 959 CB LYS A 62 3.045 -7.348 -15.545 1.00 0.00 C ATOM 960 CG LYS A 62 2.139 -7.976 -16.616 1.00 0.00 C ATOM 961 CD LYS A 62 0.860 -7.174 -16.915 1.00 0.00 C ATOM 962 CE LYS A 62 1.168 -5.848 -17.630 1.00 0.00 C ATOM 963 NZ LYS A 62 -0.058 -5.171 -18.109 1.00 0.00 N ATOM 0 H LYS A 62 2.118 -5.687 -14.003 1.00 0.00 H new ATOM 0 HA LYS A 62 1.768 -8.378 -14.107 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.036 -6.264 -15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.071 -7.678 -15.708 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.709 -8.085 -17.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.858 -8.979 -16.294 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.192 -7.773 -17.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.333 -6.970 -15.983 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.703 -5.186 -16.949 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.829 -6.038 -18.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.199 -4.282 -18.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.557 -5.790 -18.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.679 -4.964 -17.301 1.00 0.00 H new ATOM 977 N HIS A 63 4.638 -7.766 -12.659 1.00 0.00 N ATOM 978 CA HIS A 63 5.766 -8.427 -12.005 1.00 0.00 C ATOM 979 C HIS A 63 6.156 -7.829 -10.650 1.00 0.00 C ATOM 980 O HIS A 63 7.235 -8.128 -10.122 1.00 0.00 O ATOM 981 CB HIS A 63 6.961 -8.500 -12.970 1.00 0.00 C ATOM 982 CG HIS A 63 7.515 -9.893 -12.938 1.00 0.00 C ATOM 983 ND1 HIS A 63 8.231 -10.447 -11.903 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.136 -10.899 -13.780 1.00 0.00 C ATOM 985 CE1 HIS A 63 8.297 -11.765 -12.124 1.00 0.00 C ATOM 986 NE2 HIS A 63 7.627 -12.097 -13.245 1.00 0.00 N ATOM 0 H HIS A 63 4.586 -6.761 -12.495 1.00 0.00 H new ATOM 0 HA HIS A 63 5.436 -9.437 -11.763 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.648 -8.240 -13.981 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.727 -7.781 -12.679 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.564 -10.791 -14.690 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.817 -12.468 -11.490 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.502 -13.034 -13.628 1.00 0.00 H new ATOM 994 N HIS A 64 5.326 -6.942 -10.106 1.00 0.00 N ATOM 995 CA HIS A 64 5.630 -6.189 -8.903 1.00 0.00 C ATOM 996 C HIS A 64 4.324 -5.707 -8.265 1.00 0.00 C ATOM 997 O HIS A 64 3.299 -5.623 -8.942 1.00 0.00 O ATOM 998 CB HIS A 64 6.586 -5.030 -9.267 1.00 0.00 C ATOM 999 CG HIS A 64 6.278 -4.268 -10.535 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.669 -4.597 -11.819 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.675 -3.042 -10.591 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.281 -3.593 -12.625 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.681 -2.626 -11.919 1.00 0.00 N ATOM 0 H HIS A 64 4.410 -6.727 -10.499 1.00 0.00 H new ATOM 0 HA HIS A 64 6.136 -6.811 -8.165 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.593 -4.322 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.595 -5.434 -9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.267 -2.494 -9.754 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.432 -3.570 -13.694 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.301 -1.753 -12.284 1.00 0.00 H new ATOM 1011 N LEU A 65 4.346 -5.382 -6.972 1.00 0.00 N ATOM 1012 CA LEU A 65 3.339 -4.505 -6.366 1.00 0.00 C ATOM 1013 C LEU A 65 3.823 -3.069 -6.601 1.00 0.00 C ATOM 1014 O LEU A 65 4.983 -2.869 -6.962 1.00 0.00 O ATOM 1015 CB LEU A 65 3.173 -4.821 -4.862 1.00 0.00 C ATOM 1016 CG LEU A 65 1.702 -4.903 -4.397 1.00 0.00 C ATOM 1017 CD1 LEU A 65 1.614 -5.394 -2.949 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.927 -3.596 -4.473 1.00 0.00 C ATOM 0 H LEU A 65 5.055 -5.715 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 65 2.356 -4.652 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.666 -5.768 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.685 -4.054 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 65 1.247 -5.602 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.569 -5.443 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.061 -6.385 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.149 -4.703 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.093 -3.757 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.411 -2.849 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.908 -3.244 -5.504 1.00 0.00 H new ATOM 1030 N SER A 66 2.972 -2.066 -6.418 1.00 0.00 N ATOM 1031 CA SER A 66 3.310 -0.665 -6.539 1.00 0.00 C ATOM 1032 C SER A 66 2.549 0.072 -5.435 1.00 0.00 C ATOM 1033 O SER A 66 1.372 -0.225 -5.242 1.00 0.00 O ATOM 1034 CB SER A 66 2.939 -0.242 -7.956 1.00 0.00 C ATOM 1035 OG SER A 66 1.560 -0.340 -8.248 1.00 0.00 O ATOM 0 H SER A 66 1.994 -2.219 -6.173 1.00 0.00 H new ATOM 0 HA SER A 66 4.367 -0.438 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.259 0.788 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.493 -0.858 -8.664 1.00 0.00 H new ATOM 0 HG SER A 66 1.400 -0.051 -9.171 1.00 0.00 H new ATOM 1041 N VAL A 67 3.198 0.943 -4.657 1.00 0.00 N ATOM 1042 CA VAL A 67 2.645 1.522 -3.431 1.00 0.00 C ATOM 1043 C VAL A 67 3.161 2.962 -3.272 1.00 0.00 C ATOM 1044 O VAL A 67 4.342 3.231 -3.519 1.00 0.00 O ATOM 1045 CB VAL A 67 3.075 0.638 -2.233 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.685 1.273 -0.898 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.501 -0.789 -2.242 1.00 0.00 C ATOM 0 H VAL A 67 4.141 1.271 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 67 1.556 1.554 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 67 4.157 0.569 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.002 0.625 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.171 2.244 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.603 1.403 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.858 -1.330 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.412 -0.743 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.826 -1.306 -3.145 1.00 0.00 H new ATOM 1057 N SER A 68 2.304 3.885 -2.817 1.00 0.00 N ATOM 1058 CA SER A 68 2.683 5.209 -2.324 1.00 0.00 C ATOM 1059 C SER A 68 1.502 5.788 -1.535 1.00 0.00 C ATOM 1060 O SER A 68 0.399 5.241 -1.646 1.00 0.00 O ATOM 1061 CB SER A 68 3.057 6.109 -3.518 1.00 0.00 C ATOM 1062 OG SER A 68 3.659 7.339 -3.152 1.00 0.00 O ATOM 0 H SER A 68 1.298 3.723 -2.782 1.00 0.00 H new ATOM 0 HA SER A 68 3.550 5.147 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.739 5.563 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.158 6.316 -4.098 1.00 0.00 H new ATOM 0 HG SER A 68 3.869 7.853 -3.959 1.00 0.00 H new ATOM 1068 N PRO A 69 1.703 6.843 -0.721 1.00 0.00 N ATOM 1069 CA PRO A 69 0.578 7.606 -0.213 1.00 0.00 C ATOM 1070 C PRO A 69 0.026 8.590 -1.249 1.00 0.00 C ATOM 1071 O PRO A 69 -1.123 8.480 -1.677 1.00 0.00 O ATOM 1072 CB PRO A 69 1.129 8.387 1.000 1.00 0.00 C ATOM 1073 CG PRO A 69 2.645 8.416 0.790 1.00 0.00 C ATOM 1074 CD PRO A 69 2.915 7.122 0.031 1.00 0.00 C ATOM 0 HA PRO A 69 -0.246 6.941 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.716 9.395 1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.869 7.896 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.956 9.291 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.183 8.447 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.772 7.231 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.146 6.307 0.717 1.00 0.00 H new ATOM 1082 N GLU A 70 0.883 9.491 -1.728 1.00 0.00 N ATOM 1083 CA GLU A 70 0.539 10.601 -2.602 1.00 0.00 C ATOM 1084 C GLU A 70 1.829 10.913 -3.350 1.00 0.00 C ATOM 1085 O GLU A 70 2.115 10.294 -4.377 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.013 11.814 -1.800 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.356 11.535 -1.106 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.019 12.772 -0.487 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.364 13.487 0.302 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.229 12.991 -0.736 1.00 0.00 O ATOM 0 H GLU A 70 1.878 9.462 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.267 10.356 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.721 12.106 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.132 12.661 -2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.041 11.095 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.199 10.792 -0.324 1.00 0.00 H new ATOM 1097 N GLU A 71 2.684 11.739 -2.746 1.00 0.00 N ATOM 1098 CA GLU A 71 3.898 12.260 -3.365 1.00 0.00 C ATOM 1099 C GLU A 71 5.079 12.254 -2.384 1.00 0.00 C ATOM 1100 O GLU A 71 6.147 11.755 -2.743 1.00 0.00 O ATOM 1101 CB GLU A 71 3.613 13.632 -4.002 1.00 0.00 C ATOM 1102 CG GLU A 71 3.003 14.672 -3.043 1.00 0.00 C ATOM 1103 CD GLU A 71 2.696 16.025 -3.705 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.555 16.091 -4.949 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.585 17.028 -2.964 1.00 0.00 O ATOM 0 H GLU A 71 2.546 12.070 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 71 4.207 11.599 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.544 14.031 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.935 13.493 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.083 14.268 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.690 14.833 -2.212 1.00 0.00 H new ATOM 1112 N ILE A 72 4.885 12.690 -1.129 1.00 0.00 N ATOM 1113 CA ILE A 72 5.949 12.798 -0.120 1.00 0.00 C ATOM 1114 C ILE A 72 6.701 11.488 0.100 1.00 0.00 C ATOM 1115 O ILE A 72 7.903 11.498 0.378 1.00 0.00 O ATOM 1116 CB ILE A 72 5.371 13.341 1.204 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.516 13.716 2.168 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.375 12.374 1.873 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.049 14.471 3.410 1.00 0.00 C ATOM 0 H ILE A 72 3.971 12.981 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 72 6.686 13.503 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 72 4.799 14.236 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.031 12.807 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.243 14.327 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.006 12.815 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.538 12.190 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.876 11.432 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.908 14.701 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.561 15.398 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.345 13.854 3.968 1.00 0.00 H new ATOM 1131 N GLY A 73 5.989 10.369 -0.061 1.00 0.00 N ATOM 1132 CA GLY A 73 6.509 9.007 -0.021 1.00 0.00 C ATOM 1133 C GLY A 73 7.766 8.819 -0.867 1.00 0.00 C ATOM 1134 O GLY A 73 8.608 7.990 -0.535 1.00 0.00 O ATOM 0 H GLY A 73 4.984 10.394 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.731 8.740 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.738 8.320 -0.370 1.00 0.00 H new ATOM 1138 N ILE A 74 7.925 9.606 -1.934 1.00 0.00 N ATOM 1139 CA ILE A 74 9.064 9.529 -2.834 1.00 0.00 C ATOM 1140 C ILE A 74 9.930 10.798 -2.745 1.00 0.00 C ATOM 1141 O ILE A 74 11.000 10.853 -3.345 1.00 0.00 O ATOM 1142 CB ILE A 74 8.565 9.234 -4.262 1.00 0.00 C ATOM 1143 CG1 ILE A 74 7.502 8.111 -4.355 1.00 0.00 C ATOM 1144 CG2 ILE A 74 9.752 8.884 -5.172 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.913 6.754 -3.769 1.00 0.00 C ATOM 0 H ILE A 74 7.251 10.325 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 74 9.716 8.708 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 74 8.072 10.149 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.599 8.448 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.241 7.969 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.390 8.677 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.447 9.723 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.262 8.003 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.095 6.044 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.794 6.383 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.142 6.870 -2.710 1.00 0.00 H new ATOM 1157 N SER A 75 9.514 11.816 -1.994 1.00 0.00 N ATOM 1158 CA SER A 75 10.341 12.977 -1.740 1.00 0.00 C ATOM 1159 C SER A 75 11.408 12.639 -0.710 1.00 0.00 C ATOM 1160 O SER A 75 12.560 12.413 -1.073 1.00 0.00 O ATOM 1161 CB SER A 75 9.468 14.159 -1.303 1.00 0.00 C ATOM 1162 OG SER A 75 8.646 14.545 -2.378 1.00 0.00 O ATOM 0 H SER A 75 8.597 11.852 -1.549 1.00 0.00 H new ATOM 0 HA SER A 75 10.852 13.272 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.858 13.879 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.095 14.994 -0.990 1.00 0.00 H new ATOM 0 HG SER A 75 8.083 15.300 -2.105 1.00 0.00 H new ATOM 1168 N GLN A 76 11.025 12.603 0.565 1.00 0.00 N ATOM 1169 CA GLN A 76 11.966 12.414 1.659 1.00 0.00 C ATOM 1170 C GLN A 76 12.169 10.923 1.881 1.00 0.00 C ATOM 1171 O GLN A 76 13.296 10.441 1.972 1.00 0.00 O ATOM 1172 CB GLN A 76 11.484 13.131 2.933 1.00 0.00 C ATOM 1173 CG GLN A 76 9.981 13.035 3.237 1.00 0.00 C ATOM 1174 CD GLN A 76 9.639 13.621 4.602 1.00 0.00 C ATOM 1175 OE1 GLN A 76 10.133 14.674 4.993 1.00 0.00 O ATOM 1176 NE2 GLN A 76 8.796 12.956 5.363 1.00 0.00 N ATOM 0 H GLN A 76 10.055 12.704 0.865 1.00 0.00 H new ATOM 0 HA GLN A 76 12.926 12.861 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.032 12.725 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.751 14.185 2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.420 13.562 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.669 11.991 3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.390 12.081 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.549 13.315 6.285 1.00 0.00 H new ATOM 1185 N PHE A 77 11.070 10.169 1.936 1.00 0.00 N ATOM 1186 CA PHE A 77 11.150 8.768 2.303 1.00 0.00 C ATOM 1187 C PHE A 77 11.866 7.930 1.236 1.00 0.00 C ATOM 1188 O PHE A 77 12.418 6.887 1.593 1.00 0.00 O ATOM 1189 CB PHE A 77 9.772 8.229 2.668 1.00 0.00 C ATOM 1190 CG PHE A 77 8.986 9.017 3.708 1.00 0.00 C ATOM 1191 CD1 PHE A 77 9.268 8.915 5.084 1.00 0.00 C ATOM 1192 CD2 PHE A 77 7.915 9.824 3.293 1.00 0.00 C ATOM 1193 CE1 PHE A 77 8.422 9.533 6.028 1.00 0.00 C ATOM 1194 CE2 PHE A 77 7.076 10.444 4.228 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.305 10.273 5.597 1.00 0.00 C ATOM 0 H PHE A 77 10.129 10.506 1.733 1.00 0.00 H new ATOM 0 HA PHE A 77 11.770 8.685 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.175 8.176 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 77 9.891 7.208 3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.134 8.362 5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.735 9.969 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.632 9.438 7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.251 11.055 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.629 10.706 6.319 1.00 0.00 H new ATOM 1205 N ALA A 78 11.969 8.397 -0.022 1.00 0.00 N ATOM 1206 CA ALA A 78 12.729 7.697 -1.059 1.00 0.00 C ATOM 1207 C ALA A 78 14.170 7.408 -0.649 1.00 0.00 C ATOM 1208 O ALA A 78 14.728 6.387 -1.059 1.00 0.00 O ATOM 1209 CB ALA A 78 12.747 8.525 -2.333 1.00 0.00 C ATOM 0 H ALA A 78 11.531 9.261 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 78 12.228 6.742 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.314 7.999 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.726 8.682 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.214 9.489 -2.134 1.00 0.00 H new ATOM 1215 N ASP A 79 14.745 8.271 0.181 1.00 0.00 N ATOM 1216 CA ASP A 79 16.101 8.168 0.690 1.00 0.00 C ATOM 1217 C ASP A 79 16.260 6.857 1.455 1.00 0.00 C ATOM 1218 O ASP A 79 17.224 6.115 1.253 1.00 0.00 O ATOM 1219 CB ASP A 79 16.384 9.342 1.637 1.00 0.00 C ATOM 1220 CG ASP A 79 16.438 10.721 0.970 1.00 0.00 C ATOM 1221 OD1 ASP A 79 15.840 10.924 -0.110 1.00 0.00 O ATOM 1222 OD2 ASP A 79 17.154 11.602 1.499 1.00 0.00 O ATOM 0 H ASP A 79 14.255 9.095 0.530 1.00 0.00 H new ATOM 0 HA ASP A 79 16.802 8.193 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.614 9.359 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.334 9.162 2.139 1.00 0.00 H new ATOM 1227 N ALA A 80 15.321 6.567 2.358 1.00 0.00 N ATOM 1228 CA ALA A 80 15.337 5.367 3.177 1.00 0.00 C ATOM 1229 C ALA A 80 14.962 4.124 2.354 1.00 0.00 C ATOM 1230 O ALA A 80 15.470 3.040 2.651 1.00 0.00 O ATOM 1231 CB ALA A 80 14.420 5.576 4.390 1.00 0.00 C ATOM 0 H ALA A 80 14.520 7.172 2.539 1.00 0.00 H new ATOM 0 HA ALA A 80 16.347 5.185 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.427 4.679 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.777 6.424 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.404 5.773 4.048 1.00 0.00 H new ATOM 1237 N ILE A 81 14.131 4.271 1.313 1.00 0.00 N ATOM 1238 CA ILE A 81 13.814 3.208 0.353 1.00 0.00 C ATOM 1239 C ILE A 81 15.103 2.822 -0.392 1.00 0.00 C ATOM 1240 O ILE A 81 15.399 1.637 -0.557 1.00 0.00 O ATOM 1241 CB ILE A 81 12.689 3.669 -0.621 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.392 4.024 0.134 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.370 2.618 -1.699 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.278 4.590 -0.761 1.00 0.00 C ATOM 0 H ILE A 81 13.652 5.149 1.112 1.00 0.00 H new ATOM 0 HA ILE A 81 13.435 2.329 0.873 1.00 0.00 H new ATOM 0 HB ILE A 81 13.077 4.560 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.021 3.131 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.625 4.753 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.579 2.992 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.264 2.421 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.040 1.695 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.401 4.813 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.627 5.503 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.014 3.856 -1.522 1.00 0.00 H new ATOM 1256 N ALA A 82 15.878 3.816 -0.843 1.00 0.00 N ATOM 1257 CA ALA A 82 17.120 3.613 -1.576 1.00 0.00 C ATOM 1258 C ALA A 82 18.132 2.872 -0.709 1.00 0.00 C ATOM 1259 O ALA A 82 18.766 1.924 -1.172 1.00 0.00 O ATOM 1260 CB ALA A 82 17.690 4.965 -2.009 1.00 0.00 C ATOM 0 H ALA A 82 15.649 4.800 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 82 16.914 3.011 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.619 4.809 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.971 5.474 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.886 5.576 -1.128 1.00 0.00 H new ATOM 1266 N GLN A 83 18.285 3.308 0.542 1.00 0.00 N ATOM 1267 CA GLN A 83 19.169 2.702 1.533 1.00 0.00 C ATOM 1268 C GLN A 83 18.874 1.213 1.685 1.00 0.00 C ATOM 1269 O GLN A 83 19.801 0.407 1.743 1.00 0.00 O ATOM 1270 CB GLN A 83 18.981 3.442 2.856 1.00 0.00 C ATOM 1271 CG GLN A 83 19.790 4.745 2.875 1.00 0.00 C ATOM 1272 CD GLN A 83 19.312 5.725 3.941 1.00 0.00 C ATOM 1273 OE1 GLN A 83 19.375 5.465 5.136 1.00 0.00 O ATOM 1274 NE2 GLN A 83 18.802 6.872 3.516 1.00 0.00 N ATOM 0 H GLN A 83 17.781 4.118 0.903 1.00 0.00 H new ATOM 0 HA GLN A 83 20.207 2.788 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.924 3.663 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.294 2.803 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.841 4.512 3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.726 5.221 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.758 7.071 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.454 7.556 4.188 1.00 0.00 H new ATOM 1283 N ALA A 84 17.593 0.847 1.716 1.00 0.00 N ATOM 1284 CA ALA A 84 17.152 -0.523 1.903 1.00 0.00 C ATOM 1285 C ALA A 84 17.191 -1.372 0.619 1.00 0.00 C ATOM 1286 O ALA A 84 16.683 -2.493 0.620 1.00 0.00 O ATOM 1287 CB ALA A 84 15.751 -0.484 2.496 1.00 0.00 C ATOM 0 H ALA A 84 16.825 1.510 1.610 1.00 0.00 H new ATOM 0 HA ALA A 84 17.850 -1.017 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.392 -1.502 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.775 0.039 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.081 0.039 1.813 1.00 0.00 H new ATOM 1293 N GLY A 85 17.761 -0.875 -0.482 1.00 0.00 N ATOM 1294 CA GLY A 85 17.949 -1.676 -1.690 1.00 0.00 C ATOM 1295 C GLY A 85 16.688 -1.811 -2.537 1.00 0.00 C ATOM 1296 O GLY A 85 16.472 -2.835 -3.189 1.00 0.00 O ATOM 0 H GLY A 85 18.101 0.083 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.736 -1.226 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.294 -2.670 -1.406 1.00 0.00 H new ATOM 1300 N TYR A 86 15.872 -0.758 -2.575 1.00 0.00 N ATOM 1301 CA TYR A 86 14.688 -0.672 -3.417 1.00 0.00 C ATOM 1302 C TYR A 86 14.783 0.577 -4.310 1.00 0.00 C ATOM 1303 O TYR A 86 15.664 1.423 -4.117 1.00 0.00 O ATOM 1304 CB TYR A 86 13.456 -0.674 -2.509 1.00 0.00 C ATOM 1305 CG TYR A 86 13.299 -1.900 -1.627 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.814 -3.104 -2.166 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.567 -1.821 -0.246 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.506 -4.182 -1.319 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.294 -2.905 0.598 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.720 -4.078 0.073 1.00 0.00 C ATOM 1311 OH TYR A 86 12.359 -5.082 0.912 1.00 0.00 O ATOM 0 H TYR A 86 16.023 0.076 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 86 14.608 -1.526 -4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.494 0.209 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.566 -0.579 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.678 -3.201 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.987 -0.915 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.104 -5.094 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.524 -2.841 1.651 1.00 0.00 H new ATOM 0 HH TYR A 86 11.768 -5.706 0.441 1.00 0.00 H new ATOM 1321 N SER A 87 13.891 0.689 -5.297 1.00 0.00 N ATOM 1322 CA SER A 87 13.945 1.703 -6.344 1.00 0.00 C ATOM 1323 C SER A 87 12.567 2.310 -6.591 1.00 0.00 C ATOM 1324 O SER A 87 11.690 1.674 -7.184 1.00 0.00 O ATOM 1325 CB SER A 87 14.493 1.080 -7.631 1.00 0.00 C ATOM 1326 OG SER A 87 15.901 1.013 -7.588 1.00 0.00 O ATOM 0 H SER A 87 13.093 0.060 -5.389 1.00 0.00 H new ATOM 0 HA SER A 87 14.608 2.505 -6.020 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.080 0.080 -7.762 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.177 1.671 -8.491 1.00 0.00 H new ATOM 0 HG SER A 87 16.235 0.611 -8.417 1.00 0.00 H new ATOM 1332 N ALA A 88 12.386 3.552 -6.141 1.00 0.00 N ATOM 1333 CA ALA A 88 11.234 4.372 -6.486 1.00 0.00 C ATOM 1334 C ALA A 88 11.194 4.721 -7.983 1.00 0.00 C ATOM 1335 O ALA A 88 12.164 4.517 -8.718 1.00 0.00 O ATOM 1336 CB ALA A 88 11.269 5.649 -5.648 1.00 0.00 C ATOM 0 H ALA A 88 13.046 4.019 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 88 10.331 3.800 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.410 6.272 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.234 5.391 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.188 6.197 -5.858 1.00 0.00 H new ATOM 1342 N THR A 89 10.076 5.298 -8.409 1.00 0.00 N ATOM 1343 CA THR A 89 9.851 5.972 -9.676 1.00 0.00 C ATOM 1344 C THR A 89 9.245 7.339 -9.359 1.00 0.00 C ATOM 1345 O THR A 89 8.971 7.674 -8.207 1.00 0.00 O ATOM 1346 CB THR A 89 8.916 5.165 -10.601 1.00 0.00 C ATOM 1347 OG1 THR A 89 7.564 5.329 -10.247 1.00 0.00 O ATOM 1348 CG2 THR A 89 9.175 3.664 -10.623 1.00 0.00 C ATOM 0 H THR A 89 9.238 5.305 -7.828 1.00 0.00 H new ATOM 0 HA THR A 89 10.795 6.075 -10.211 1.00 0.00 H new ATOM 0 HB THR A 89 9.134 5.573 -11.588 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.001 4.805 -10.855 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.469 3.183 -11.300 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.193 3.475 -10.965 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.049 3.258 -9.619 1.00 0.00 H new ATOM 1356 N LYS A 90 8.952 8.139 -10.380 1.00 0.00 N ATOM 1357 CA LYS A 90 8.415 9.483 -10.239 1.00 0.00 C ATOM 1358 C LYS A 90 6.906 9.427 -10.042 1.00 0.00 C ATOM 1359 O LYS A 90 6.122 9.862 -10.891 1.00 0.00 O ATOM 1360 CB LYS A 90 8.819 10.212 -11.501 1.00 0.00 C ATOM 1361 CG LYS A 90 8.874 11.741 -11.352 1.00 0.00 C ATOM 1362 CD LYS A 90 7.672 12.476 -11.950 1.00 0.00 C ATOM 1363 CE LYS A 90 7.887 13.989 -12.075 1.00 0.00 C ATOM 1364 NZ LYS A 90 8.770 14.382 -13.193 1.00 0.00 N ATOM 0 H LYS A 90 9.086 7.861 -11.352 1.00 0.00 H new ATOM 0 HA LYS A 90 8.802 10.006 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.798 9.853 -11.817 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.115 9.960 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.946 11.989 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.783 12.108 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.457 12.064 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.796 12.291 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.919 14.473 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.310 14.363 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.866 15.417 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.707 13.949 -13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.359 14.056 -14.091 1.00 0.00 H new ATOM 1378 N GLY A 91 6.501 8.810 -8.946 1.00 0.00 N ATOM 1379 CA GLY A 91 5.121 8.498 -8.661 1.00 0.00 C ATOM 1380 C GLY A 91 5.062 7.743 -7.368 1.00 0.00 C ATOM 1381 O GLY A 91 4.376 8.122 -6.418 1.00 0.00 O ATOM 0 H GLY A 91 7.143 8.506 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.532 9.413 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.693 7.903 -9.467 1.00 0.00 H new ATOM 1385 N LEU A 92 5.759 6.617 -7.383 1.00 0.00 N ATOM 1386 CA LEU A 92 5.576 5.603 -6.353 1.00 0.00 C ATOM 1387 C LEU A 92 6.801 4.715 -6.256 1.00 0.00 C ATOM 1388 O LEU A 92 7.738 4.884 -7.028 1.00 0.00 O ATOM 1389 CB LEU A 92 4.270 4.809 -6.581 1.00 0.00 C ATOM 1390 CG LEU A 92 4.176 3.803 -7.734 1.00 0.00 C ATOM 1391 CD1 LEU A 92 2.765 3.209 -7.673 1.00 0.00 C ATOM 1392 CD2 LEU A 92 4.443 4.390 -9.111 1.00 0.00 C ATOM 0 H LEU A 92 6.453 6.382 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 92 5.468 6.096 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.055 4.267 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.469 5.535 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 92 4.958 3.055 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.641 2.482 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.619 2.717 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.030 4.005 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.355 3.607 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.717 5.176 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.449 4.809 -9.139 1.00 0.00 H new ATOM 1404 N PHE A 93 6.816 3.768 -5.320 1.00 0.00 N ATOM 1405 CA PHE A 93 7.821 2.713 -5.333 1.00 0.00 C ATOM 1406 C PHE A 93 7.126 1.410 -5.671 1.00 0.00 C ATOM 1407 O PHE A 93 5.910 1.272 -5.511 1.00 0.00 O ATOM 1408 CB PHE A 93 8.616 2.653 -4.022 1.00 0.00 C ATOM 1409 CG PHE A 93 7.808 2.170 -2.838 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.673 0.792 -2.584 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.156 3.102 -2.014 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.859 0.348 -1.531 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.326 2.659 -0.974 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.172 1.283 -0.737 1.00 0.00 C ATOM 0 H PHE A 93 6.149 3.711 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 93 8.572 2.922 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.473 1.994 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.009 3.645 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.196 0.076 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.294 4.160 -2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.760 -0.709 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.806 3.375 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.524 0.942 0.057 1.00 0.00 H new ATOM 1424 N ARG A 94 7.902 0.449 -6.158 1.00 0.00 N ATOM 1425 CA ARG A 94 7.379 -0.828 -6.594 1.00 0.00 C ATOM 1426 C ARG A 94 8.366 -1.927 -6.258 1.00 0.00 C ATOM 1427 O ARG A 94 9.565 -1.738 -6.443 1.00 0.00 O ATOM 1428 CB ARG A 94 7.014 -0.727 -8.078 1.00 0.00 C ATOM 1429 CG ARG A 94 8.135 -0.397 -9.077 1.00 0.00 C ATOM 1430 CD ARG A 94 8.802 -1.654 -9.644 1.00 0.00 C ATOM 1431 NE ARG A 94 9.130 -1.488 -11.067 1.00 0.00 N ATOM 1432 CZ ARG A 94 9.721 -2.410 -11.827 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.490 -3.363 -11.292 1.00 0.00 N ATOM 1434 NH2 ARG A 94 9.540 -2.366 -13.140 1.00 0.00 N ATOM 0 H ARG A 94 8.913 0.539 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 94 6.462 -1.092 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.569 -1.676 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.241 0.034 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.725 0.194 -9.896 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.887 0.219 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.710 -1.871 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.138 -2.509 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 94 8.887 -0.600 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.634 -3.395 -10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.932 -4.058 -11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.958 -1.636 -13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.983 -3.062 -13.740 1.00 0.00 H new ATOM 1448 N ILE A 95 7.868 -3.050 -5.747 1.00 0.00 N ATOM 1449 CA ILE A 95 8.690 -4.111 -5.170 1.00 0.00 C ATOM 1450 C ILE A 95 8.464 -5.355 -6.037 1.00 0.00 C ATOM 1451 O ILE A 95 7.316 -5.604 -6.420 1.00 0.00 O ATOM 1452 CB ILE A 95 8.205 -4.330 -3.712 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.238 -3.055 -2.839 1.00 0.00 C ATOM 1454 CG2 ILE A 95 8.937 -5.469 -2.985 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.629 -2.509 -2.539 1.00 0.00 C ATOM 0 H ILE A 95 6.868 -3.252 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 95 9.754 -3.876 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 95 7.162 -4.620 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.660 -2.277 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.737 -3.268 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.546 -5.564 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.781 -6.404 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.004 -5.248 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.544 -1.615 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.209 -3.263 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.131 -2.258 -3.474 1.00 0.00 H new ATOM 1467 N PRO A 96 9.478 -6.198 -6.303 1.00 0.00 N ATOM 1468 CA PRO A 96 9.302 -7.372 -7.155 1.00 0.00 C ATOM 1469 C PRO A 96 8.470 -8.435 -6.440 1.00 0.00 C ATOM 1470 O PRO A 96 8.503 -8.519 -5.214 1.00 0.00 O ATOM 1471 CB PRO A 96 10.718 -7.878 -7.445 1.00 0.00 C ATOM 1472 CG PRO A 96 11.556 -7.358 -6.284 1.00 0.00 C ATOM 1473 CD PRO A 96 10.875 -6.048 -5.906 1.00 0.00 C ATOM 0 HA PRO A 96 8.768 -7.134 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.747 -8.966 -7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.086 -7.502 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.565 -8.060 -5.450 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.594 -7.200 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.959 -5.858 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.339 -5.204 -6.417 1.00 0.00 H new ATOM 1481 N TRP A 97 7.783 -9.310 -7.187 1.00 0.00 N ATOM 1482 CA TRP A 97 7.103 -10.457 -6.573 1.00 0.00 C ATOM 1483 C TRP A 97 8.070 -11.424 -5.878 1.00 0.00 C ATOM 1484 O TRP A 97 7.669 -12.141 -4.968 1.00 0.00 O ATOM 1485 CB TRP A 97 6.192 -11.175 -7.583 1.00 0.00 C ATOM 1486 CG TRP A 97 4.964 -10.398 -7.947 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.478 -10.201 -9.194 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.021 -9.744 -7.046 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.379 -9.361 -9.138 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.061 -9.047 -7.833 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.868 -9.695 -5.642 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.046 -8.279 -7.250 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.835 -8.952 -5.047 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.932 -8.242 -5.851 1.00 0.00 C ATOM 0 H TRP A 97 7.684 -9.248 -8.200 1.00 0.00 H new ATOM 0 HA TRP A 97 6.467 -10.056 -5.784 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.762 -11.382 -8.489 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.892 -12.137 -7.168 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.885 -10.633 -10.096 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.871 -9.019 -9.954 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.558 -10.239 -5.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.359 -7.722 -7.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.736 -8.928 -3.972 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.144 -7.663 -5.392 1.00 0.00 H new ATOM 1505 N ASN A 98 9.345 -11.393 -6.270 1.00 0.00 N ATOM 1506 CA ASN A 98 10.450 -12.105 -5.646 1.00 0.00 C ATOM 1507 C ASN A 98 10.703 -11.605 -4.218 1.00 0.00 C ATOM 1508 O ASN A 98 10.477 -12.336 -3.256 1.00 0.00 O ATOM 1509 CB ASN A 98 11.674 -11.911 -6.551 1.00 0.00 C ATOM 1510 CG ASN A 98 12.943 -12.603 -6.077 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.559 -12.132 -5.011 1.00 0.00 O flip ATOM 1512 ND2 ASN A 98 13.418 -13.525 -6.730 1.00 0.00 N flip ATOM 0 H ASN A 98 9.645 -10.841 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 98 10.221 -13.166 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.430 -12.276 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.873 -10.843 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.925 -13.875 -7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.306 -13.943 -6.452 1.00 0.00 H new ATOM 1519 N ASP A 99 11.224 -10.383 -4.068 1.00 0.00 N ATOM 1520 CA ASP A 99 11.870 -9.926 -2.828 1.00 0.00 C ATOM 1521 C ASP A 99 10.861 -9.234 -1.892 1.00 0.00 C ATOM 1522 O ASP A 99 9.796 -8.824 -2.365 1.00 0.00 O ATOM 1523 CB ASP A 99 13.174 -9.156 -3.155 1.00 0.00 C ATOM 1524 CG ASP A 99 13.243 -7.643 -2.919 1.00 0.00 C ATOM 1525 OD1 ASP A 99 13.338 -7.201 -1.756 1.00 0.00 O ATOM 1526 OD2 ASP A 99 13.470 -6.909 -3.909 1.00 0.00 O ATOM 0 H ASP A 99 11.211 -9.678 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 99 12.207 -10.774 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.976 -9.613 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.401 -9.332 -4.206 1.00 0.00 H new ATOM 1531 N PRO A 100 11.088 -9.237 -0.564 1.00 0.00 N ATOM 1532 CA PRO A 100 10.071 -8.903 0.437 1.00 0.00 C ATOM 1533 C PRO A 100 9.792 -7.394 0.552 1.00 0.00 C ATOM 1534 O PRO A 100 10.369 -6.573 -0.160 1.00 0.00 O ATOM 1535 CB PRO A 100 10.601 -9.498 1.748 1.00 0.00 C ATOM 1536 CG PRO A 100 12.109 -9.422 1.579 1.00 0.00 C ATOM 1537 CD PRO A 100 12.271 -9.772 0.101 1.00 0.00 C ATOM 0 HA PRO A 100 9.101 -9.315 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.264 -8.929 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.263 -10.524 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.498 -8.430 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.630 -10.127 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.182 -9.334 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.345 -10.850 -0.040 1.00 0.00 H new ATOM 1545 N VAL A 101 8.892 -7.020 1.467 1.00 0.00 N ATOM 1546 CA VAL A 101 8.398 -5.659 1.672 1.00 0.00 C ATOM 1547 C VAL A 101 8.821 -5.138 3.051 1.00 0.00 C ATOM 1548 O VAL A 101 8.872 -5.895 4.029 1.00 0.00 O ATOM 1549 CB VAL A 101 6.868 -5.664 1.445 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.111 -6.622 2.375 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.227 -4.278 1.542 1.00 0.00 C ATOM 0 H VAL A 101 8.471 -7.689 2.112 1.00 0.00 H new ATOM 0 HA VAL A 101 8.837 -4.964 0.956 1.00 0.00 H new ATOM 0 HB VAL A 101 6.771 -6.022 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.044 -6.572 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.466 -7.640 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.284 -6.335 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.154 -4.361 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.406 -3.863 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.664 -3.622 0.790 1.00 0.00 H new ATOM 1561 N HIS A 102 9.083 -3.836 3.147 1.00 0.00 N ATOM 1562 CA HIS A 102 9.382 -3.128 4.382 1.00 0.00 C ATOM 1563 C HIS A 102 8.120 -2.461 4.917 1.00 0.00 C ATOM 1564 O HIS A 102 7.520 -1.624 4.238 1.00 0.00 O ATOM 1565 CB HIS A 102 10.511 -2.109 4.149 1.00 0.00 C ATOM 1566 CG HIS A 102 11.777 -2.497 4.868 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.155 -2.071 6.120 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.768 -3.313 4.388 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.341 -2.623 6.396 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.757 -3.397 5.378 1.00 0.00 N ATOM 0 H HIS A 102 9.092 -3.224 2.331 1.00 0.00 H new ATOM 0 HA HIS A 102 9.729 -3.837 5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.711 -2.027 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.188 -1.125 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.784 -3.801 3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.891 -2.468 7.313 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.621 -3.938 5.335 1.00 0.00 H new ATOM 1578 N TYR A 103 7.697 -2.834 6.126 1.00 0.00 N ATOM 1579 CA TYR A 103 6.568 -2.208 6.808 1.00 0.00 C ATOM 1580 C TYR A 103 7.001 -0.985 7.613 1.00 0.00 C ATOM 1581 O TYR A 103 6.187 -0.119 7.929 1.00 0.00 O ATOM 1582 CB TYR A 103 5.854 -3.251 7.667 1.00 0.00 C ATOM 1583 CG TYR A 103 5.004 -4.248 6.891 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.945 -4.259 5.476 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.231 -5.174 7.613 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.126 -5.168 4.806 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.426 -6.112 6.950 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.378 -6.101 5.543 1.00 0.00 C ATOM 1589 OH TYR A 103 2.645 -7.018 4.877 1.00 0.00 O ATOM 0 H TYR A 103 8.133 -3.585 6.662 1.00 0.00 H new ATOM 0 HA TYR A 103 5.863 -1.837 6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.600 -3.801 8.240 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.217 -2.735 8.385 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.540 -3.557 4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.257 -5.163 8.693 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.067 -5.155 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.851 -6.833 7.511 1.00 0.00 H new ATOM 0 HH TYR A 103 3.227 -7.747 4.576 1.00 0.00 H new ATOM 1599 N GLU A 104 8.291 -0.859 7.904 1.00 0.00 N ATOM 1600 CA GLU A 104 8.875 0.304 8.553 1.00 0.00 C ATOM 1601 C GLU A 104 8.611 1.570 7.739 1.00 0.00 C ATOM 1602 O GLU A 104 7.961 2.492 8.240 1.00 0.00 O ATOM 1603 CB GLU A 104 10.379 0.016 8.704 1.00 0.00 C ATOM 1604 CG GLU A 104 11.277 1.164 9.190 1.00 0.00 C ATOM 1605 CD GLU A 104 12.615 1.207 8.437 1.00 0.00 C ATOM 1606 OE1 GLU A 104 13.146 0.137 8.053 1.00 0.00 O ATOM 1607 OE2 GLU A 104 13.100 2.327 8.159 1.00 0.00 O ATOM 0 H GLU A 104 8.976 -1.584 7.688 1.00 0.00 H new ATOM 0 HA GLU A 104 8.427 0.480 9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.494 -0.817 9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.756 -0.319 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.756 2.112 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.465 1.050 10.258 1.00 0.00 H new ATOM 1614 N LEU A 105 9.071 1.596 6.479 1.00 0.00 N ATOM 1615 CA LEU A 105 8.978 2.781 5.628 1.00 0.00 C ATOM 1616 C LEU A 105 7.511 3.136 5.486 1.00 0.00 C ATOM 1617 O LEU A 105 7.113 4.286 5.683 1.00 0.00 O ATOM 1618 CB LEU A 105 9.500 2.481 4.203 1.00 0.00 C ATOM 1619 CG LEU A 105 10.993 2.608 3.917 1.00 0.00 C ATOM 1620 CD1 LEU A 105 11.383 4.074 3.770 1.00 0.00 C ATOM 1621 CD2 LEU A 105 11.855 1.913 4.962 1.00 0.00 C ATOM 0 H LEU A 105 9.516 0.797 6.027 1.00 0.00 H new ATOM 0 HA LEU A 105 9.566 3.581 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.203 1.463 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.976 3.145 3.515 1.00 0.00 H new ATOM 0 HG LEU A 105 11.183 2.096 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.451 4.148 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.825 4.518 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.152 4.606 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.907 2.037 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.665 2.353 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.610 0.851 4.988 1.00 0.00 H new ATOM 1633 N LEU A 106 6.724 2.109 5.159 1.00 0.00 N ATOM 1634 CA LEU A 106 5.286 2.137 5.013 1.00 0.00 C ATOM 1635 C LEU A 106 4.664 2.882 6.174 1.00 0.00 C ATOM 1636 O LEU A 106 3.954 3.857 5.949 1.00 0.00 O ATOM 1637 CB LEU A 106 4.755 0.695 4.958 1.00 0.00 C ATOM 1638 CG LEU A 106 4.187 0.338 3.592 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.962 -1.173 3.460 1.00 0.00 C ATOM 1640 CD2 LEU A 106 2.851 1.051 3.339 1.00 0.00 C ATOM 0 H LEU A 106 7.109 1.181 4.980 1.00 0.00 H new ATOM 0 HA LEU A 106 5.022 2.653 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.561 0.004 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.981 0.566 5.715 1.00 0.00 H new ATOM 0 HG LEU A 106 4.921 0.664 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.556 -1.396 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.910 -1.695 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.260 -1.504 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.472 0.775 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.131 0.755 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.001 2.130 3.380 1.00 0.00 H new ATOM 1652 N LYS A 107 4.942 2.429 7.400 1.00 0.00 N ATOM 1653 CA LYS A 107 4.347 3.001 8.587 1.00 0.00 C ATOM 1654 C LYS A 107 4.730 4.474 8.709 1.00 0.00 C ATOM 1655 O LYS A 107 3.841 5.284 8.953 1.00 0.00 O ATOM 1656 CB LYS A 107 4.736 2.147 9.797 1.00 0.00 C ATOM 1657 CG LYS A 107 4.295 2.788 11.076 1.00 0.00 C ATOM 1658 CD LYS A 107 4.580 1.812 12.208 1.00 0.00 C ATOM 1659 CE LYS A 107 3.435 1.869 13.172 1.00 0.00 C ATOM 1660 NZ LYS A 107 3.686 1.095 14.405 1.00 0.00 N ATOM 0 H LYS A 107 5.584 1.659 7.585 1.00 0.00 H new ATOM 0 HA LYS A 107 3.259 2.987 8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.285 1.159 9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.816 2.004 9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.827 3.725 11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.232 3.028 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.699 0.801 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.512 2.072 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.238 2.908 13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.537 1.488 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.862 1.169 15.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.847 0.097 14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.526 1.473 14.887 1.00 0.00 H new ATOM 1674 N GLN A 108 5.998 4.842 8.501 1.00 0.00 N ATOM 1675 CA GLN A 108 6.378 6.251 8.582 1.00 0.00 C ATOM 1676 C GLN A 108 5.569 7.075 7.574 1.00 0.00 C ATOM 1677 O GLN A 108 4.903 8.034 7.958 1.00 0.00 O ATOM 1678 CB GLN A 108 7.889 6.467 8.404 1.00 0.00 C ATOM 1679 CG GLN A 108 8.715 5.694 9.437 1.00 0.00 C ATOM 1680 CD GLN A 108 9.966 6.450 9.878 1.00 0.00 C ATOM 1681 OE1 GLN A 108 9.929 7.234 10.815 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.086 6.258 9.209 1.00 0.00 N ATOM 0 H GLN A 108 6.760 4.201 8.281 1.00 0.00 H new ATOM 0 HA GLN A 108 6.141 6.598 9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.182 6.155 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.113 7.531 8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.095 5.486 10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.007 4.732 9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.108 5.602 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.931 6.766 9.472 1.00 0.00 H new ATOM 1691 N MET A 109 5.583 6.687 6.295 1.00 0.00 N ATOM 1692 CA MET A 109 4.959 7.456 5.222 1.00 0.00 C ATOM 1693 C MET A 109 3.428 7.347 5.192 1.00 0.00 C ATOM 1694 O MET A 109 2.810 7.833 4.240 1.00 0.00 O ATOM 1695 CB MET A 109 5.580 7.096 3.863 1.00 0.00 C ATOM 1696 CG MET A 109 5.142 5.723 3.336 1.00 0.00 C ATOM 1697 SD MET A 109 5.871 5.226 1.755 1.00 0.00 S ATOM 1698 CE MET A 109 7.635 5.225 2.181 1.00 0.00 C ATOM 0 H MET A 109 6.030 5.827 5.977 1.00 0.00 H new ATOM 0 HA MET A 109 5.168 8.504 5.435 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.309 7.860 3.134 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.666 7.113 3.953 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.391 4.970 4.084 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.057 5.722 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.115 4.351 1.740 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.103 6.130 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.748 5.193 3.265 1.00 0.00 H new ATOM 1708 N ILE A 110 2.781 6.714 6.172 1.00 0.00 N ATOM 1709 CA ILE A 110 1.339 6.684 6.282 1.00 0.00 C ATOM 1710 C ILE A 110 0.952 7.393 7.589 1.00 0.00 C ATOM 1711 O ILE A 110 0.196 8.361 7.533 1.00 0.00 O ATOM 1712 CB ILE A 110 0.873 5.227 6.062 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.557 5.145 5.535 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.065 4.278 7.248 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.636 5.605 6.501 1.00 0.00 C ATOM 0 H ILE A 110 3.258 6.205 6.916 1.00 0.00 H new ATOM 0 HA ILE A 110 0.801 7.242 5.516 1.00 0.00 H new ATOM 0 HB ILE A 110 1.558 4.866 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.626 5.745 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.763 4.113 5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.704 3.285 6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.123 4.223 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.505 4.650 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.613 5.506 6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.604 4.991 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.466 6.648 6.767 1.00 0.00 H new ATOM 1727 N GLU A 111 1.532 7.014 8.735 1.00 0.00 N ATOM 1728 CA GLU A 111 1.233 7.623 10.032 1.00 0.00 C ATOM 1729 C GLU A 111 1.568 9.102 10.041 1.00 0.00 C ATOM 1730 O GLU A 111 0.818 9.892 10.610 1.00 0.00 O ATOM 1731 CB GLU A 111 2.034 6.977 11.169 1.00 0.00 C ATOM 1732 CG GLU A 111 1.579 5.562 11.476 1.00 0.00 C ATOM 1733 CD GLU A 111 2.193 5.075 12.788 1.00 0.00 C ATOM 1734 OE1 GLU A 111 3.435 4.968 12.889 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.420 4.749 13.718 1.00 0.00 O ATOM 0 H GLU A 111 2.227 6.270 8.786 1.00 0.00 H new ATOM 0 HA GLU A 111 0.166 7.468 10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.091 6.965 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.939 7.588 12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.492 5.530 11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.868 4.896 10.663 1.00 0.00 H new ATOM 1742 N PHE A 112 2.692 9.489 9.436 1.00 0.00 N ATOM 1743 CA PHE A 112 3.063 10.886 9.357 1.00 0.00 C ATOM 1744 C PHE A 112 2.004 11.652 8.572 1.00 0.00 C ATOM 1745 O PHE A 112 1.545 12.702 9.005 1.00 0.00 O ATOM 1746 CB PHE A 112 4.411 11.020 8.644 1.00 0.00 C ATOM 1747 CG PHE A 112 4.768 12.462 8.378 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.990 13.314 9.471 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.739 12.988 7.069 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.172 14.684 9.256 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.926 14.367 6.861 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.142 15.216 7.957 1.00 0.00 C ATOM 0 H PHE A 112 3.354 8.849 8.997 1.00 0.00 H new ATOM 0 HA PHE A 112 3.140 11.294 10.365 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.190 10.560 9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.378 10.475 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.020 12.914 10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.573 12.332 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.337 15.340 10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.903 14.771 5.860 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.285 16.275 7.802 1.00 0.00 H new ATOM 1762 N ASN A 113 1.616 11.134 7.407 1.00 0.00 N ATOM 1763 CA ASN A 113 0.705 11.847 6.525 1.00 0.00 C ATOM 1764 C ASN A 113 -0.686 11.980 7.163 1.00 0.00 C ATOM 1765 O ASN A 113 -1.365 12.972 6.914 1.00 0.00 O ATOM 1766 CB ASN A 113 0.633 11.163 5.147 1.00 0.00 C ATOM 1767 CG ASN A 113 1.182 11.981 3.969 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.676 11.394 3.014 1.00 0.00 O ATOM 1769 ND2 ASN A 113 1.139 13.310 3.982 1.00 0.00 N ATOM 0 H ASN A 113 1.920 10.225 7.057 1.00 0.00 H new ATOM 0 HA ASN A 113 1.093 12.855 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.181 10.222 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.408 10.914 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.517 13.840 3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.728 13.799 4.777 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.113 11.007 7.973 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.253 11.110 8.882 1.00 0.00 C ATOM 1778 C ILE A 114 -2.011 12.265 9.863 1.00 0.00 C ATOM 1779 O ILE A 114 -2.768 13.232 9.836 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.508 9.737 9.564 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.040 8.748 8.490 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.511 9.797 10.730 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.275 7.276 8.897 1.00 0.00 C ATOM 0 H ILE A 114 -0.657 10.095 8.014 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.169 11.348 8.342 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.559 9.410 9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.984 9.143 8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.337 8.754 7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.636 8.801 11.154 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.136 10.474 11.498 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.472 10.159 10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.646 6.716 8.039 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.337 6.839 9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.009 7.234 9.702 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.989 12.199 10.722 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.810 13.166 11.817 1.00 0.00 C ATOM 1797 C GLN A 115 -0.423 14.578 11.328 1.00 0.00 C ATOM 1798 O GLN A 115 -0.346 15.527 12.110 1.00 0.00 O ATOM 1799 CB GLN A 115 0.129 12.569 12.873 1.00 0.00 C ATOM 1800 CG GLN A 115 1.589 12.535 12.466 1.00 0.00 C ATOM 1801 CD GLN A 115 2.383 11.590 13.364 1.00 0.00 C ATOM 1802 OE1 GLN A 115 2.914 11.985 14.395 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.435 10.311 13.024 1.00 0.00 N ATOM 0 H GLN A 115 -0.266 11.481 10.682 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.772 13.337 12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.034 13.146 13.793 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.196 11.553 13.098 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.674 12.214 11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.010 13.539 12.524 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.989 9.994 12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.921 9.643 13.623 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.183 14.715 10.026 1.00 0.00 N ATOM 1813 CA ASP A 116 -0.013 15.974 9.303 1.00 0.00 C ATOM 1814 C ASP A 116 -1.362 16.643 9.017 1.00 0.00 C ATOM 1815 O ASP A 116 -1.583 17.811 9.339 1.00 0.00 O ATOM 1816 CB ASP A 116 0.753 15.680 8.006 1.00 0.00 C ATOM 1817 CG ASP A 116 0.847 16.902 7.102 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.704 17.776 7.357 1.00 0.00 O ATOM 1819 OD2 ASP A 116 0.129 16.947 6.079 1.00 0.00 O ATOM 0 H ASP A 116 -0.097 13.905 9.412 1.00 0.00 H new ATOM 0 HA ASP A 116 0.553 16.676 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.757 15.333 8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.258 14.871 7.469 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.298 15.878 8.461 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.654 16.309 8.086 1.00 0.00 C ATOM 1826 C LYS A 117 -4.628 16.212 9.261 1.00 0.00 C ATOM 1827 O LYS A 117 -5.836 16.048 9.059 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.154 15.481 6.891 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.275 15.603 5.642 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.422 16.934 4.897 1.00 0.00 C ATOM 1831 CE LYS A 117 -4.614 16.862 3.934 1.00 0.00 C ATOM 1832 NZ LYS A 117 -4.209 16.642 2.525 1.00 0.00 N ATOM 0 H LYS A 117 -2.130 14.895 8.247 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.606 17.359 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.208 14.433 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.168 15.795 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.232 15.475 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.518 14.789 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.567 17.746 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.509 17.154 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.277 16.055 4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.185 17.788 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.056 16.602 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.598 17.424 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.688 15.745 2.450 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.107 16.234 10.481 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.893 16.379 11.695 1.00 0.00 C ATOM 1848 C GLU A 118 -5.764 17.625 11.561 1.00 0.00 C ATOM 1849 O GLU A 118 -6.968 17.552 11.899 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.959 16.429 12.921 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.148 15.196 13.819 1.00 0.00 C ATOM 1852 CD GLU A 118 -3.383 15.286 15.145 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -2.133 15.213 15.136 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -4.045 15.420 16.200 1.00 0.00 O ATOM 0 H GLU A 118 -3.106 16.150 10.656 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.551 15.523 11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.922 16.484 12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.158 17.334 13.496 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.210 15.068 14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.820 14.308 13.278 1.00 0.00 H new