USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 105 ASN : amide:sc= -0.576 K(o=-0.57,f=-1.8!) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.00148 X(o=-0.57,f=-0.58) USER MOD Set 2.1: A 71 ASN : amide:sc= -0.418 K(o=-2.3,f=-6.5!) USER MOD Set 2.2: A 74 CYS SG : rot 48:sc= -0.466 USER MOD Set 2.3: A 86 ASN : amide:sc= -1.4 K(o=-2.3,f=-1.4!) USER MOD Single : A 51 SER OG : rot 42:sc= 0.266 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 75 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.3!) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.627 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.63) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 25.054 -18.610 -4.410 1.00 0.00 N ATOM 2 CA GLY A 50 24.344 -17.381 -4.107 1.00 0.00 C ATOM 3 C GLY A 50 24.326 -16.419 -5.278 1.00 0.00 C ATOM 4 O GLY A 50 25.375 -16.057 -5.809 1.00 0.00 O ATOM 0 HA2 GLY A 50 23.320 -17.618 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 50 24.812 -16.897 -3.250 1.00 0.00 H new ATOM 8 N SER A 51 23.129 -16.005 -5.683 1.00 0.00 N ATOM 9 CA SER A 51 22.978 -15.083 -6.803 1.00 0.00 C ATOM 10 C SER A 51 21.839 -14.101 -6.549 1.00 0.00 C ATOM 11 O SER A 51 20.676 -14.494 -6.450 1.00 0.00 O ATOM 12 CB SER A 51 22.720 -15.857 -8.097 1.00 0.00 C ATOM 13 OG SER A 51 21.649 -16.771 -7.940 1.00 0.00 O ATOM 0 H SER A 51 22.250 -16.293 -5.252 1.00 0.00 H new ATOM 0 HA SER A 51 23.905 -14.519 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.491 -15.159 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 51 23.622 -16.395 -8.388 1.00 0.00 H new ATOM 0 HG SER A 51 20.925 -16.343 -7.437 1.00 0.00 H new ATOM 19 N SER A 52 22.181 -12.821 -6.443 1.00 0.00 N ATOM 20 CA SER A 52 21.188 -11.782 -6.196 1.00 0.00 C ATOM 21 C SER A 52 20.053 -11.863 -7.212 1.00 0.00 C ATOM 22 O SER A 52 20.202 -11.447 -8.360 1.00 0.00 O ATOM 23 CB SER A 52 21.841 -10.399 -6.253 1.00 0.00 C ATOM 24 OG SER A 52 22.542 -10.116 -5.054 1.00 0.00 O ATOM 0 H SER A 52 23.138 -12.478 -6.524 1.00 0.00 H new ATOM 0 HA SER A 52 20.773 -11.940 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.527 -10.352 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 52 21.077 -9.639 -6.419 1.00 0.00 H new ATOM 0 HG SER A 52 22.951 -9.228 -5.116 1.00 0.00 H new ATOM 30 N GLY A 53 18.917 -12.402 -6.779 1.00 0.00 N ATOM 31 CA GLY A 53 17.772 -12.528 -7.661 1.00 0.00 C ATOM 32 C GLY A 53 16.462 -12.607 -6.904 1.00 0.00 C ATOM 33 O GLY A 53 16.012 -13.693 -6.538 1.00 0.00 O ATOM 0 H GLY A 53 18.770 -12.754 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 53 17.745 -11.676 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.887 -13.421 -8.275 1.00 0.00 H new ATOM 37 N SER A 54 15.847 -11.452 -6.666 1.00 0.00 N ATOM 38 CA SER A 54 14.583 -11.394 -5.941 1.00 0.00 C ATOM 39 C SER A 54 13.413 -11.215 -6.904 1.00 0.00 C ATOM 40 O SER A 54 13.604 -10.902 -8.079 1.00 0.00 O ATOM 41 CB SER A 54 14.604 -10.249 -4.927 1.00 0.00 C ATOM 42 OG SER A 54 15.771 -10.300 -4.125 1.00 0.00 O ATOM 0 H SER A 54 16.204 -10.544 -6.965 1.00 0.00 H new ATOM 0 HA SER A 54 14.453 -12.337 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.560 -9.294 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.720 -10.305 -4.292 1.00 0.00 H new ATOM 0 HG SER A 54 15.762 -9.557 -3.486 1.00 0.00 H new ATOM 48 N SER A 55 12.201 -11.414 -6.396 1.00 0.00 N ATOM 49 CA SER A 55 10.999 -11.279 -7.211 1.00 0.00 C ATOM 50 C SER A 55 10.133 -10.126 -6.713 1.00 0.00 C ATOM 51 O SER A 55 9.616 -9.336 -7.502 1.00 0.00 O ATOM 52 CB SER A 55 10.196 -12.580 -7.193 1.00 0.00 C ATOM 53 OG SER A 55 10.715 -13.513 -8.125 1.00 0.00 O ATOM 0 H SER A 55 12.025 -11.669 -5.424 1.00 0.00 H new ATOM 0 HA SER A 55 11.306 -11.065 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.218 -13.011 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.152 -12.370 -7.427 1.00 0.00 H new ATOM 0 HG SER A 55 10.185 -14.337 -8.093 1.00 0.00 H new ATOM 59 N GLY A 56 9.978 -10.036 -5.395 1.00 0.00 N ATOM 60 CA GLY A 56 9.174 -8.978 -4.812 1.00 0.00 C ATOM 61 C GLY A 56 7.693 -9.300 -4.830 1.00 0.00 C ATOM 62 O GLY A 56 7.081 -9.376 -5.894 1.00 0.00 O ATOM 0 H GLY A 56 10.395 -10.678 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.493 -8.807 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.348 -8.051 -5.358 1.00 0.00 H new ATOM 66 N GLU A 57 7.116 -9.489 -3.647 1.00 0.00 N ATOM 67 CA GLU A 57 5.697 -9.807 -3.532 1.00 0.00 C ATOM 68 C GLU A 57 4.841 -8.567 -3.772 1.00 0.00 C ATOM 69 O GLU A 57 5.159 -7.465 -3.322 1.00 0.00 O ATOM 70 CB GLU A 57 5.393 -10.390 -2.150 1.00 0.00 C ATOM 71 CG GLU A 57 4.004 -10.994 -2.037 1.00 0.00 C ATOM 72 CD GLU A 57 3.693 -11.485 -0.637 1.00 0.00 C ATOM 73 OE1 GLU A 57 4.600 -12.052 0.008 1.00 0.00 O ATOM 74 OE2 GLU A 57 2.543 -11.302 -0.185 1.00 0.00 O ATOM 0 H GLU A 57 7.609 -9.428 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 57 5.454 -10.548 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.133 -11.156 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.501 -9.605 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.263 -10.250 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.915 -11.825 -2.737 1.00 0.00 H new ATOM 81 N PRO A 58 3.728 -8.748 -4.499 1.00 0.00 N ATOM 82 CA PRO A 58 2.803 -7.656 -4.816 1.00 0.00 C ATOM 83 C PRO A 58 2.040 -7.169 -3.589 1.00 0.00 C ATOM 84 O PRO A 58 1.509 -7.968 -2.817 1.00 0.00 O ATOM 85 CB PRO A 58 1.843 -8.287 -5.827 1.00 0.00 C ATOM 86 CG PRO A 58 1.887 -9.747 -5.531 1.00 0.00 C ATOM 87 CD PRO A 58 3.288 -10.033 -5.066 1.00 0.00 C ATOM 0 HA PRO A 58 3.324 -6.777 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.834 -7.891 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.155 -8.081 -6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.159 -10.012 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.643 -10.332 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.310 -10.829 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.928 -10.349 -5.890 1.00 0.00 H new ATOM 95 N VAL A 59 1.988 -5.852 -3.415 1.00 0.00 N ATOM 96 CA VAL A 59 1.288 -5.258 -2.282 1.00 0.00 C ATOM 97 C VAL A 59 -0.219 -5.248 -2.512 1.00 0.00 C ATOM 98 O VAL A 59 -0.763 -4.313 -3.102 1.00 0.00 O ATOM 99 CB VAL A 59 1.766 -3.817 -2.020 1.00 0.00 C ATOM 100 CG1 VAL A 59 1.089 -3.246 -0.783 1.00 0.00 C ATOM 101 CG2 VAL A 59 3.280 -3.776 -1.876 1.00 0.00 C ATOM 0 H VAL A 59 2.422 -5.176 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 59 1.516 -5.872 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 59 1.488 -3.200 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.439 -2.228 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.009 -3.239 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.333 -3.862 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.600 -2.751 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.583 -4.407 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.743 -4.141 -2.793 1.00 0.00 H new ATOM 111 N LEU A 60 -0.891 -6.293 -2.041 1.00 0.00 N ATOM 112 CA LEU A 60 -2.337 -6.405 -2.194 1.00 0.00 C ATOM 113 C LEU A 60 -3.060 -5.793 -0.999 1.00 0.00 C ATOM 114 O LEU A 60 -2.471 -5.603 0.066 1.00 0.00 O ATOM 115 CB LEU A 60 -2.741 -7.872 -2.353 1.00 0.00 C ATOM 116 CG LEU A 60 -2.137 -8.609 -3.549 1.00 0.00 C ATOM 117 CD1 LEU A 60 -2.121 -10.109 -3.300 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.910 -8.286 -4.819 1.00 0.00 C ATOM 0 H LEU A 60 -0.457 -7.075 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.626 -5.856 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.462 -8.405 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.827 -7.922 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.108 -8.272 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.688 -10.616 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.524 -10.324 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.140 -10.463 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.467 -8.819 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.949 -8.594 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.869 -7.213 -5.007 1.00 0.00 H new ATOM 130 N CYS A 61 -4.341 -5.488 -1.181 1.00 0.00 N ATOM 131 CA CYS A 61 -5.146 -4.900 -0.117 1.00 0.00 C ATOM 132 C CYS A 61 -5.193 -5.818 1.101 1.00 0.00 C ATOM 133 O CYS A 61 -5.071 -7.037 0.978 1.00 0.00 O ATOM 134 CB CYS A 61 -6.565 -4.624 -0.617 1.00 0.00 C ATOM 135 SG CYS A 61 -7.395 -3.239 0.226 1.00 0.00 S ATOM 0 H CYS A 61 -4.844 -5.639 -2.056 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.682 -3.959 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.528 -4.415 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.165 -5.525 -0.490 1.00 0.00 H new ATOM 140 N SER A 62 -5.370 -5.223 2.276 1.00 0.00 N ATOM 141 CA SER A 62 -5.430 -5.986 3.518 1.00 0.00 C ATOM 142 C SER A 62 -6.634 -6.923 3.522 1.00 0.00 C ATOM 143 O SER A 62 -6.509 -8.109 3.827 1.00 0.00 O ATOM 144 CB SER A 62 -5.500 -5.041 4.719 1.00 0.00 C ATOM 145 OG SER A 62 -5.596 -5.766 5.933 1.00 0.00 O ATOM 0 H SER A 62 -5.474 -4.215 2.395 1.00 0.00 H new ATOM 0 HA SER A 62 -4.524 -6.587 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.613 -4.407 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.361 -4.381 4.617 1.00 0.00 H new ATOM 0 HG SER A 62 -5.638 -5.140 6.686 1.00 0.00 H new ATOM 151 N ARG A 63 -7.798 -6.382 3.181 1.00 0.00 N ATOM 152 CA ARG A 63 -9.026 -7.168 3.147 1.00 0.00 C ATOM 153 C ARG A 63 -8.857 -8.401 2.264 1.00 0.00 C ATOM 154 O ARG A 63 -8.121 -8.376 1.277 1.00 0.00 O ATOM 155 CB ARG A 63 -10.188 -6.316 2.634 1.00 0.00 C ATOM 156 CG ARG A 63 -11.540 -6.731 3.191 1.00 0.00 C ATOM 157 CD ARG A 63 -12.672 -5.938 2.556 1.00 0.00 C ATOM 158 NE ARG A 63 -12.861 -4.642 3.202 1.00 0.00 N ATOM 159 CZ ARG A 63 -13.555 -4.474 4.323 1.00 0.00 C ATOM 160 NH1 ARG A 63 -14.121 -5.515 4.919 1.00 0.00 N ATOM 161 NH2 ARG A 63 -13.683 -3.263 4.850 1.00 0.00 N ATOM 0 H ARG A 63 -7.917 -5.402 2.924 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.246 -7.496 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.004 -5.273 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.219 -6.376 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.696 -7.795 3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.551 -6.582 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.460 -5.788 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.596 -6.512 2.618 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.437 -3.821 2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.024 -6.447 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.653 -5.383 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.249 -2.460 4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.216 -3.135 5.710 1.00 0.00 H new ATOM 175 N THR A 64 -9.543 -9.481 2.627 1.00 0.00 N ATOM 176 CA THR A 64 -9.467 -10.724 1.870 1.00 0.00 C ATOM 177 C THR A 64 -10.366 -10.674 0.640 1.00 0.00 C ATOM 178 O THR A 64 -9.966 -11.079 -0.452 1.00 0.00 O ATOM 179 CB THR A 64 -9.868 -11.933 2.736 1.00 0.00 C ATOM 180 OG1 THR A 64 -11.197 -11.759 3.237 1.00 0.00 O ATOM 181 CG2 THR A 64 -8.902 -12.111 3.897 1.00 0.00 C ATOM 0 H THR A 64 -10.157 -9.519 3.440 1.00 0.00 H new ATOM 0 HA THR A 64 -8.430 -10.840 1.554 1.00 0.00 H new ATOM 0 HB THR A 64 -9.830 -12.826 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.444 -12.533 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.206 -12.971 4.494 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.896 -12.274 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.911 -11.216 4.519 1.00 0.00 H new ATOM 189 N THR A 65 -11.584 -10.173 0.823 1.00 0.00 N ATOM 190 CA THR A 65 -12.541 -10.070 -0.272 1.00 0.00 C ATOM 191 C THR A 65 -12.043 -9.112 -1.349 1.00 0.00 C ATOM 192 O THR A 65 -12.241 -9.345 -2.542 1.00 0.00 O ATOM 193 CB THR A 65 -13.917 -9.593 0.227 1.00 0.00 C ATOM 194 OG1 THR A 65 -13.773 -8.386 0.984 1.00 0.00 O ATOM 195 CG2 THR A 65 -14.581 -10.660 1.085 1.00 0.00 C ATOM 0 H THR A 65 -11.931 -9.832 1.720 1.00 0.00 H new ATOM 0 HA THR A 65 -12.644 -11.069 -0.697 1.00 0.00 H new ATOM 0 HB THR A 65 -14.548 -9.403 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.653 -8.089 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.552 -10.300 1.426 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.716 -11.568 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.951 -10.877 1.948 1.00 0.00 H new ATOM 203 N CYS A 66 -11.396 -8.033 -0.921 1.00 0.00 N ATOM 204 CA CYS A 66 -10.869 -7.039 -1.848 1.00 0.00 C ATOM 205 C CYS A 66 -9.580 -7.531 -2.498 1.00 0.00 C ATOM 206 O CYS A 66 -9.537 -7.782 -3.703 1.00 0.00 O ATOM 207 CB CYS A 66 -10.614 -5.718 -1.120 1.00 0.00 C ATOM 208 SG CYS A 66 -10.155 -4.340 -2.220 1.00 0.00 S ATOM 0 H CYS A 66 -11.224 -7.825 0.063 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.611 -6.878 -2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.511 -5.442 -0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.819 -5.866 -0.389 1.00 0.00 H new ATOM 213 N ARG A 67 -8.532 -7.667 -1.693 1.00 0.00 N ATOM 214 CA ARG A 67 -7.241 -8.128 -2.190 1.00 0.00 C ATOM 215 C ARG A 67 -6.916 -7.487 -3.536 1.00 0.00 C ATOM 216 O ARG A 67 -6.379 -8.138 -4.431 1.00 0.00 O ATOM 217 CB ARG A 67 -7.237 -9.652 -2.324 1.00 0.00 C ATOM 218 CG ARG A 67 -7.176 -10.381 -0.992 1.00 0.00 C ATOM 219 CD ARG A 67 -5.851 -10.140 -0.285 1.00 0.00 C ATOM 220 NE ARG A 67 -5.749 -10.896 0.960 1.00 0.00 N ATOM 221 CZ ARG A 67 -5.349 -12.161 1.021 1.00 0.00 C ATOM 222 NH1 ARG A 67 -5.014 -12.808 -0.087 1.00 0.00 N ATOM 223 NH2 ARG A 67 -5.282 -12.782 2.192 1.00 0.00 N ATOM 0 H ARG A 67 -8.551 -7.465 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.476 -7.831 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.135 -9.964 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.384 -9.952 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.995 -10.047 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.314 -11.450 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.031 -10.419 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.741 -9.076 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.999 -10.427 1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.063 -12.334 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.707 -13.779 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.538 -12.288 3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.975 -13.754 2.237 1.00 0.00 H new ATOM 237 N ALA A 68 -7.246 -6.207 -3.671 1.00 0.00 N ATOM 238 CA ALA A 68 -6.989 -5.478 -4.906 1.00 0.00 C ATOM 239 C ALA A 68 -5.572 -4.914 -4.925 1.00 0.00 C ATOM 240 O ALA A 68 -5.078 -4.417 -3.913 1.00 0.00 O ATOM 241 CB ALA A 68 -8.006 -4.360 -5.082 1.00 0.00 C ATOM 0 H ALA A 68 -7.692 -5.653 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.086 -6.176 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.801 -3.824 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.009 -4.784 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.937 -3.670 -4.241 1.00 0.00 H new ATOM 247 N ALA A 69 -4.923 -4.994 -6.082 1.00 0.00 N ATOM 248 CA ALA A 69 -3.564 -4.490 -6.233 1.00 0.00 C ATOM 249 C ALA A 69 -3.512 -2.980 -6.025 1.00 0.00 C ATOM 250 O ALA A 69 -4.489 -2.274 -6.279 1.00 0.00 O ATOM 251 CB ALA A 69 -3.015 -4.855 -7.604 1.00 0.00 C ATOM 0 H ALA A 69 -5.317 -5.403 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.943 -4.957 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.999 -4.472 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.007 -5.939 -7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.645 -4.415 -8.377 1.00 0.00 H new ATOM 257 N LEU A 70 -2.368 -2.491 -5.560 1.00 0.00 N ATOM 258 CA LEU A 70 -2.189 -1.064 -5.316 1.00 0.00 C ATOM 259 C LEU A 70 -2.226 -0.280 -6.624 1.00 0.00 C ATOM 260 O LEU A 70 -1.540 -0.624 -7.585 1.00 0.00 O ATOM 261 CB LEU A 70 -0.863 -0.812 -4.595 1.00 0.00 C ATOM 262 CG LEU A 70 -0.713 0.554 -3.924 1.00 0.00 C ATOM 263 CD1 LEU A 70 -1.603 0.645 -2.694 1.00 0.00 C ATOM 264 CD2 LEU A 70 0.740 0.809 -3.554 1.00 0.00 C ATOM 0 H LEU A 70 -1.550 -3.061 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.009 -0.722 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.733 -1.584 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.053 -0.932 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.027 1.322 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.483 1.624 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.644 0.508 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.321 -0.131 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.828 1.785 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.081 0.037 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.354 0.788 -4.454 1.00 0.00 H new ATOM 276 N ASN A 71 -3.031 0.778 -6.651 1.00 0.00 N ATOM 277 CA ASN A 71 -3.156 1.613 -7.840 1.00 0.00 C ATOM 278 C ASN A 71 -2.978 3.087 -7.491 1.00 0.00 C ATOM 279 O ASN A 71 -3.168 3.508 -6.349 1.00 0.00 O ATOM 280 CB ASN A 71 -4.519 1.394 -8.500 1.00 0.00 C ATOM 281 CG ASN A 71 -5.641 1.279 -7.487 1.00 0.00 C ATOM 282 OD1 ASN A 71 -6.373 2.239 -7.243 1.00 0.00 O ATOM 283 ND2 ASN A 71 -5.781 0.101 -6.890 1.00 0.00 N ATOM 0 H ASN A 71 -3.606 1.077 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.370 1.327 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.729 2.222 -9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.485 0.488 -9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.518 -0.036 -6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.151 -0.667 -7.123 1.00 0.00 H new ATOM 290 N PRO A 72 -2.605 3.893 -8.496 1.00 0.00 N ATOM 291 CA PRO A 72 -2.395 5.333 -8.321 1.00 0.00 C ATOM 292 C PRO A 72 -3.699 6.083 -8.073 1.00 0.00 C ATOM 293 O PRO A 72 -3.696 7.290 -7.827 1.00 0.00 O ATOM 294 CB PRO A 72 -1.774 5.765 -9.651 1.00 0.00 C ATOM 295 CG PRO A 72 -2.249 4.755 -10.637 1.00 0.00 C ATOM 296 CD PRO A 72 -2.361 3.460 -9.882 1.00 0.00 C ATOM 0 HA PRO A 72 -1.772 5.552 -7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.093 6.770 -9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.686 5.780 -9.593 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.211 5.045 -11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.550 4.663 -11.469 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.177 2.844 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.450 2.867 -9.963 1.00 0.00 H new ATOM 304 N LEU A 73 -4.813 5.362 -8.138 1.00 0.00 N ATOM 305 CA LEU A 73 -6.126 5.960 -7.920 1.00 0.00 C ATOM 306 C LEU A 73 -6.425 6.088 -6.430 1.00 0.00 C ATOM 307 O LEU A 73 -6.921 7.119 -5.973 1.00 0.00 O ATOM 308 CB LEU A 73 -7.209 5.120 -8.599 1.00 0.00 C ATOM 309 CG LEU A 73 -7.172 5.086 -10.128 1.00 0.00 C ATOM 310 CD1 LEU A 73 -8.091 3.996 -10.659 1.00 0.00 C ATOM 311 CD2 LEU A 73 -7.561 6.440 -10.701 1.00 0.00 C ATOM 0 H LEU A 73 -4.833 4.362 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.121 6.958 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.131 4.097 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.183 5.498 -8.287 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.153 4.860 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.052 3.986 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.767 3.028 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.113 4.191 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.529 6.397 -11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.570 6.696 -10.377 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.863 7.199 -10.347 1.00 0.00 H new ATOM 323 N CYS A 74 -6.118 5.037 -5.678 1.00 0.00 N ATOM 324 CA CYS A 74 -6.353 5.033 -4.238 1.00 0.00 C ATOM 325 C CYS A 74 -5.872 6.334 -3.605 1.00 0.00 C ATOM 326 O CYS A 74 -4.984 7.002 -4.135 1.00 0.00 O ATOM 327 CB CYS A 74 -5.645 3.843 -3.589 1.00 0.00 C ATOM 328 SG CYS A 74 -6.406 2.243 -3.952 1.00 0.00 S ATOM 0 H CYS A 74 -5.706 4.177 -6.041 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.426 4.944 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.608 3.824 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -5.629 3.989 -2.509 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.629 2.148 -5.229 1.00 0.00 H new ATOM 334 N GLN A 75 -6.464 6.688 -2.469 1.00 0.00 N ATOM 335 CA GLN A 75 -6.097 7.911 -1.765 1.00 0.00 C ATOM 336 C GLN A 75 -4.882 7.681 -0.873 1.00 0.00 C ATOM 337 O GLN A 75 -5.017 7.325 0.298 1.00 0.00 O ATOM 338 CB GLN A 75 -7.273 8.415 -0.927 1.00 0.00 C ATOM 339 CG GLN A 75 -8.513 8.731 -1.747 1.00 0.00 C ATOM 340 CD GLN A 75 -8.210 9.599 -2.952 1.00 0.00 C ATOM 341 OE1 GLN A 75 -7.504 9.182 -3.870 1.00 0.00 O ATOM 342 NE2 GLN A 75 -8.745 10.815 -2.956 1.00 0.00 N ATOM 0 H GLN A 75 -7.200 6.145 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.841 8.666 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.524 7.663 -0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.966 9.311 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.970 7.800 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.243 9.236 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.324 11.120 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.576 11.444 -3.741 1.00 0.00 H new ATOM 351 N VAL A 76 -3.694 7.888 -1.433 1.00 0.00 N ATOM 352 CA VAL A 76 -2.455 7.704 -0.688 1.00 0.00 C ATOM 353 C VAL A 76 -2.112 8.948 0.124 1.00 0.00 C ATOM 354 O VAL A 76 -2.060 10.055 -0.411 1.00 0.00 O ATOM 355 CB VAL A 76 -1.278 7.376 -1.627 1.00 0.00 C ATOM 356 CG1 VAL A 76 -0.037 7.018 -0.823 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.653 6.248 -2.576 1.00 0.00 C ATOM 0 H VAL A 76 -3.564 8.183 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.615 6.865 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.053 8.261 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.784 6.789 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.241 7.860 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.245 6.148 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.810 6.029 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.906 5.357 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.512 6.548 -3.176 1.00 0.00 H new ATOM 367 N ASP A 77 -1.877 8.757 1.417 1.00 0.00 N ATOM 368 CA ASP A 77 -1.537 9.864 2.304 1.00 0.00 C ATOM 369 C ASP A 77 -0.177 9.639 2.957 1.00 0.00 C ATOM 370 O ASP A 77 -0.090 9.131 4.075 1.00 0.00 O ATOM 371 CB ASP A 77 -2.611 10.033 3.380 1.00 0.00 C ATOM 372 CG ASP A 77 -2.748 11.470 3.841 1.00 0.00 C ATOM 373 OD1 ASP A 77 -3.365 12.273 3.109 1.00 0.00 O ATOM 374 OD2 ASP A 77 -2.239 11.793 4.934 1.00 0.00 O ATOM 0 H ASP A 77 -1.916 7.846 1.875 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.487 10.774 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.568 9.687 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.367 9.402 4.235 1.00 0.00 H new ATOM 379 N TYR A 78 0.882 10.020 2.251 1.00 0.00 N ATOM 380 CA TYR A 78 2.239 9.856 2.760 1.00 0.00 C ATOM 381 C TYR A 78 2.380 10.482 4.144 1.00 0.00 C ATOM 382 O TYR A 78 2.983 9.897 5.044 1.00 0.00 O ATOM 383 CB TYR A 78 3.247 10.487 1.797 1.00 0.00 C ATOM 384 CG TYR A 78 3.739 9.537 0.729 1.00 0.00 C ATOM 385 CD1 TYR A 78 2.854 8.949 -0.167 1.00 0.00 C ATOM 386 CD2 TYR A 78 5.088 9.226 0.615 1.00 0.00 C ATOM 387 CE1 TYR A 78 3.299 8.080 -1.145 1.00 0.00 C ATOM 388 CE2 TYR A 78 5.543 8.360 -0.360 1.00 0.00 C ATOM 389 CZ TYR A 78 4.644 7.789 -1.237 1.00 0.00 C ATOM 390 OH TYR A 78 5.093 6.924 -2.209 1.00 0.00 O ATOM 0 H TYR A 78 0.827 10.444 1.325 1.00 0.00 H new ATOM 0 HA TYR A 78 2.444 8.788 2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.788 11.352 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 78 4.101 10.854 2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.800 9.175 -0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.794 9.670 1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.598 7.631 -1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.596 8.131 -0.435 1.00 0.00 H new ATOM 0 HH TYR A 78 6.066 6.828 -2.137 1.00 0.00 H new ATOM 400 N ARG A 79 1.820 11.677 4.306 1.00 0.00 N ATOM 401 CA ARG A 79 1.883 12.384 5.579 1.00 0.00 C ATOM 402 C ARG A 79 1.509 11.459 6.734 1.00 0.00 C ATOM 403 O ARG A 79 2.280 11.284 7.677 1.00 0.00 O ATOM 404 CB ARG A 79 0.951 13.597 5.560 1.00 0.00 C ATOM 405 CG ARG A 79 1.518 14.789 4.807 1.00 0.00 C ATOM 406 CD ARG A 79 0.618 16.008 4.935 1.00 0.00 C ATOM 407 NE ARG A 79 0.600 16.534 6.297 1.00 0.00 N ATOM 408 CZ ARG A 79 0.007 17.673 6.637 1.00 0.00 C ATOM 409 NH1 ARG A 79 -0.612 18.402 5.718 1.00 0.00 N ATOM 410 NH2 ARG A 79 0.034 18.086 7.897 1.00 0.00 N ATOM 0 H ARG A 79 1.318 12.175 3.571 1.00 0.00 H new ATOM 0 HA ARG A 79 2.908 12.725 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.003 13.309 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.736 13.895 6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.510 15.026 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.638 14.532 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.960 16.785 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.396 15.743 4.635 1.00 0.00 H new ATOM 0 HE ARG A 79 1.068 15.998 7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.633 18.088 4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.067 19.276 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.510 17.529 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.422 18.961 8.157 1.00 0.00 H new ATOM 424 N ALA A 80 0.320 10.870 6.652 1.00 0.00 N ATOM 425 CA ALA A 80 -0.156 9.963 7.689 1.00 0.00 C ATOM 426 C ALA A 80 0.185 8.516 7.350 1.00 0.00 C ATOM 427 O ALA A 80 -0.406 7.584 7.896 1.00 0.00 O ATOM 428 CB ALA A 80 -1.656 10.123 7.882 1.00 0.00 C ATOM 0 H ALA A 80 -0.331 11.005 5.878 1.00 0.00 H new ATOM 0 HA ALA A 80 0.348 10.219 8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.998 9.440 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.877 11.149 8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.169 9.896 6.948 1.00 0.00 H new ATOM 434 N LYS A 81 1.141 8.334 6.446 1.00 0.00 N ATOM 435 CA LYS A 81 1.561 7.000 6.034 1.00 0.00 C ATOM 436 C LYS A 81 0.373 6.045 5.988 1.00 0.00 C ATOM 437 O LYS A 81 0.419 4.953 6.556 1.00 0.00 O ATOM 438 CB LYS A 81 2.626 6.460 6.991 1.00 0.00 C ATOM 439 CG LYS A 81 3.943 7.214 6.923 1.00 0.00 C ATOM 440 CD LYS A 81 5.080 6.405 7.525 1.00 0.00 C ATOM 441 CE LYS A 81 4.952 6.302 9.037 1.00 0.00 C ATOM 442 NZ LYS A 81 6.126 5.620 9.648 1.00 0.00 N ATOM 0 H LYS A 81 1.640 9.094 5.984 1.00 0.00 H new ATOM 0 HA LYS A 81 1.985 7.073 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.243 6.506 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.806 5.409 6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.174 7.452 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.849 8.162 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.086 5.405 7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.033 6.869 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.851 7.301 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.043 5.755 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.000 5.570 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.208 4.658 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.991 6.155 9.430 1.00 0.00 H new ATOM 456 N LEU A 82 -0.689 6.462 5.308 1.00 0.00 N ATOM 457 CA LEU A 82 -1.890 5.642 5.187 1.00 0.00 C ATOM 458 C LEU A 82 -2.496 5.768 3.793 1.00 0.00 C ATOM 459 O LEU A 82 -2.734 6.873 3.306 1.00 0.00 O ATOM 460 CB LEU A 82 -2.919 6.051 6.242 1.00 0.00 C ATOM 461 CG LEU A 82 -2.732 5.444 7.633 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.532 6.221 8.666 1.00 0.00 C ATOM 463 CD2 LEU A 82 -3.139 3.978 7.634 1.00 0.00 C ATOM 0 H LEU A 82 -0.743 7.363 4.832 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.608 4.601 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.901 7.137 6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.910 5.779 5.879 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.676 5.508 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.387 5.775 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.194 7.257 8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.590 6.189 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.999 3.562 8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.187 3.891 7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.522 3.429 6.923 1.00 0.00 H new ATOM 475 N TRP A 83 -2.746 4.629 3.157 1.00 0.00 N ATOM 476 CA TRP A 83 -3.328 4.611 1.820 1.00 0.00 C ATOM 477 C TRP A 83 -4.710 3.968 1.835 1.00 0.00 C ATOM 478 O TRP A 83 -4.843 2.767 2.066 1.00 0.00 O ATOM 479 CB TRP A 83 -2.412 3.858 0.853 1.00 0.00 C ATOM 480 CG TRP A 83 -2.272 2.402 1.180 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.500 1.853 2.163 1.00 0.00 C ATOM 482 CD2 TRP A 83 -2.922 1.310 0.520 1.00 0.00 C ATOM 483 NE1 TRP A 83 -1.630 0.486 2.155 1.00 0.00 N ATOM 484 CE2 TRP A 83 -2.497 0.127 1.157 1.00 0.00 C ATOM 485 CE3 TRP A 83 -3.821 1.216 -0.545 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -2.942 -1.131 0.761 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -4.262 -0.034 -0.936 1.00 0.00 C ATOM 488 CH2 TRP A 83 -3.822 -1.194 -0.284 1.00 0.00 C ATOM 0 H TRP A 83 -2.555 3.706 3.546 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.432 5.642 1.483 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.802 3.960 -0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.426 4.322 0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.878 2.412 2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -1.157 -0.158 2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.165 2.104 -1.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.604 -2.026 1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.957 -0.118 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.185 -2.156 -0.613 1.00 0.00 H new ATOM 499 N ALA A 84 -5.736 4.776 1.588 1.00 0.00 N ATOM 500 CA ALA A 84 -7.108 4.284 1.571 1.00 0.00 C ATOM 501 C ALA A 84 -7.461 3.685 0.214 1.00 0.00 C ATOM 502 O ALA A 84 -7.198 4.287 -0.829 1.00 0.00 O ATOM 503 CB ALA A 84 -8.075 5.405 1.923 1.00 0.00 C ATOM 0 H ALA A 84 -5.643 5.774 1.397 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.194 3.496 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.096 5.023 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.845 5.784 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -7.977 6.211 1.196 1.00 0.00 H new ATOM 509 N CYS A 85 -8.056 2.497 0.232 1.00 0.00 N ATOM 510 CA CYS A 85 -8.443 1.816 -0.997 1.00 0.00 C ATOM 511 C CYS A 85 -9.567 2.567 -1.704 1.00 0.00 C ATOM 512 O CYS A 85 -10.415 3.186 -1.061 1.00 0.00 O ATOM 513 CB CYS A 85 -8.885 0.383 -0.693 1.00 0.00 C ATOM 514 SG CYS A 85 -8.863 -0.724 -2.139 1.00 0.00 S ATOM 0 H CYS A 85 -8.281 1.986 1.086 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.576 1.790 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.235 -0.031 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -9.894 0.405 -0.281 1.00 0.00 H new ATOM 519 N ASN A 86 -9.567 2.508 -3.032 1.00 0.00 N ATOM 520 CA ASN A 86 -10.586 3.183 -3.827 1.00 0.00 C ATOM 521 C ASN A 86 -11.759 2.250 -4.114 1.00 0.00 C ATOM 522 O ASN A 86 -12.821 2.687 -4.557 1.00 0.00 O ATOM 523 CB ASN A 86 -9.987 3.686 -5.142 1.00 0.00 C ATOM 524 CG ASN A 86 -9.951 2.611 -6.210 1.00 0.00 C ATOM 525 OD1 ASN A 86 -9.201 1.640 -6.104 1.00 0.00 O ATOM 526 ND2 ASN A 86 -10.762 2.780 -7.247 1.00 0.00 N ATOM 0 H ASN A 86 -8.873 2.000 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 86 -10.953 4.034 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.570 4.533 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.975 4.049 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.781 2.090 -7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.367 3.600 -7.293 1.00 0.00 H new ATOM 533 N PHE A 87 -11.558 0.961 -3.858 1.00 0.00 N ATOM 534 CA PHE A 87 -12.598 -0.035 -4.089 1.00 0.00 C ATOM 535 C PHE A 87 -13.316 -0.383 -2.789 1.00 0.00 C ATOM 536 O PHE A 87 -14.469 -0.003 -2.581 1.00 0.00 O ATOM 537 CB PHE A 87 -11.995 -1.299 -4.706 1.00 0.00 C ATOM 538 CG PHE A 87 -11.114 -1.025 -5.892 1.00 0.00 C ATOM 539 CD1 PHE A 87 -11.648 -0.523 -7.068 1.00 0.00 C ATOM 540 CD2 PHE A 87 -9.752 -1.269 -5.830 1.00 0.00 C ATOM 541 CE1 PHE A 87 -10.840 -0.272 -8.160 1.00 0.00 C ATOM 542 CE2 PHE A 87 -8.938 -1.019 -6.919 1.00 0.00 C ATOM 543 CZ PHE A 87 -9.483 -0.519 -8.085 1.00 0.00 C ATOM 0 H PHE A 87 -10.685 0.582 -3.491 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.324 0.389 -4.782 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.416 -1.824 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.802 -1.966 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -12.708 -0.326 -7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.321 -1.659 -4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.269 0.117 -9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.878 -1.214 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.849 -0.321 -8.937 1.00 0.00 H new ATOM 553 N CYS A 88 -12.627 -1.110 -1.915 1.00 0.00 N ATOM 554 CA CYS A 88 -13.197 -1.512 -0.635 1.00 0.00 C ATOM 555 C CYS A 88 -13.341 -0.312 0.296 1.00 0.00 C ATOM 556 O CYS A 88 -14.234 -0.274 1.143 1.00 0.00 O ATOM 557 CB CYS A 88 -12.322 -2.580 0.023 1.00 0.00 C ATOM 558 SG CYS A 88 -10.769 -1.939 0.727 1.00 0.00 S ATOM 0 H CYS A 88 -11.672 -1.433 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.188 -1.927 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.893 -3.066 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.085 -3.346 -0.716 1.00 0.00 H new ATOM 563 N TYR A 89 -12.457 0.666 0.134 1.00 0.00 N ATOM 564 CA TYR A 89 -12.484 1.867 0.961 1.00 0.00 C ATOM 565 C TYR A 89 -12.094 1.545 2.400 1.00 0.00 C ATOM 566 O TYR A 89 -12.795 1.916 3.341 1.00 0.00 O ATOM 567 CB TYR A 89 -13.875 2.503 0.927 1.00 0.00 C ATOM 568 CG TYR A 89 -13.868 3.988 1.211 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.155 4.866 0.404 1.00 0.00 C ATOM 570 CD2 TYR A 89 -14.575 4.514 2.285 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.145 6.224 0.659 1.00 0.00 C ATOM 572 CE2 TYR A 89 -14.572 5.870 2.547 1.00 0.00 C ATOM 573 CZ TYR A 89 -13.855 6.721 1.732 1.00 0.00 C ATOM 574 OH TYR A 89 -13.849 8.073 1.989 1.00 0.00 O ATOM 0 H TYR A 89 -11.712 0.651 -0.563 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.759 2.573 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.320 2.331 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -14.511 2.005 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.599 4.480 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.137 3.851 2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.585 6.892 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -15.128 6.262 3.386 1.00 0.00 H new ATOM 0 HH TYR A 89 -14.399 8.258 2.779 1.00 0.00 H new ATOM 584 N GLN A 90 -10.971 0.854 2.561 1.00 0.00 N ATOM 585 CA GLN A 90 -10.487 0.482 3.886 1.00 0.00 C ATOM 586 C GLN A 90 -9.098 1.059 4.140 1.00 0.00 C ATOM 587 O GLN A 90 -8.204 0.941 3.302 1.00 0.00 O ATOM 588 CB GLN A 90 -10.454 -1.041 4.031 1.00 0.00 C ATOM 589 CG GLN A 90 -9.822 -1.515 5.330 1.00 0.00 C ATOM 590 CD GLN A 90 -10.824 -1.612 6.464 1.00 0.00 C ATOM 591 OE1 GLN A 90 -11.194 -2.707 6.888 1.00 0.00 O ATOM 592 NE2 GLN A 90 -11.268 -0.464 6.962 1.00 0.00 N ATOM 0 H GLN A 90 -10.379 0.540 1.792 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.173 0.896 4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.472 -1.426 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.903 -1.466 3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.363 -2.491 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.024 -0.829 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.934 0.421 6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.943 -0.467 7.727 1.00 0.00 H new ATOM 601 N ARG A 91 -8.925 1.683 5.300 1.00 0.00 N ATOM 602 CA ARG A 91 -7.645 2.280 5.663 1.00 0.00 C ATOM 603 C ARG A 91 -6.586 1.204 5.882 1.00 0.00 C ATOM 604 O ARG A 91 -6.673 0.415 6.822 1.00 0.00 O ATOM 605 CB ARG A 91 -7.795 3.128 6.928 1.00 0.00 C ATOM 606 CG ARG A 91 -8.613 4.392 6.720 1.00 0.00 C ATOM 607 CD ARG A 91 -8.215 5.481 7.704 1.00 0.00 C ATOM 608 NE ARG A 91 -8.732 5.222 9.045 1.00 0.00 N ATOM 609 CZ ARG A 91 -8.183 5.710 10.152 1.00 0.00 C ATOM 610 NH1 ARG A 91 -7.105 6.479 10.077 1.00 0.00 N ATOM 611 NH2 ARG A 91 -8.712 5.430 11.336 1.00 0.00 N ATOM 0 H ARG A 91 -9.655 1.789 6.005 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.324 2.919 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.264 2.525 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.804 3.402 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.475 4.753 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.673 4.164 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.128 5.555 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.588 6.442 7.351 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.560 4.634 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.696 6.697 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.685 6.853 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.541 4.839 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.289 5.805 12.185 1.00 0.00 H new ATOM 625 N ASN A 92 -5.586 1.179 5.006 1.00 0.00 N ATOM 626 CA ASN A 92 -4.510 0.199 5.103 1.00 0.00 C ATOM 627 C ASN A 92 -3.183 0.878 5.426 1.00 0.00 C ATOM 628 O ASN A 92 -2.958 2.029 5.054 1.00 0.00 O ATOM 629 CB ASN A 92 -4.389 -0.587 3.796 1.00 0.00 C ATOM 630 CG ASN A 92 -5.720 -1.146 3.331 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.309 -2.004 3.989 1.00 0.00 O ATOM 632 ND2 ASN A 92 -6.201 -0.660 2.192 1.00 0.00 N ATOM 0 H ASN A 92 -5.499 1.826 4.222 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.751 -0.490 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.980 0.062 3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.682 -1.405 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.093 -0.997 1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.678 0.051 1.680 1.00 0.00 H new ATOM 639 N GLN A 93 -2.309 0.157 6.120 1.00 0.00 N ATOM 640 CA GLN A 93 -1.004 0.691 6.493 1.00 0.00 C ATOM 641 C GLN A 93 0.040 0.368 5.430 1.00 0.00 C ATOM 642 O GLN A 93 -0.039 -0.662 4.759 1.00 0.00 O ATOM 643 CB GLN A 93 -0.566 0.124 7.845 1.00 0.00 C ATOM 644 CG GLN A 93 -1.168 0.854 9.035 1.00 0.00 C ATOM 645 CD GLN A 93 -0.355 0.675 10.302 1.00 0.00 C ATOM 646 OE1 GLN A 93 -0.432 -0.363 10.960 1.00 0.00 O ATOM 647 NE2 GLN A 93 0.429 1.688 10.651 1.00 0.00 N ATOM 0 H GLN A 93 -2.480 -0.798 6.435 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.091 1.775 6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.845 -0.928 7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.521 0.169 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.244 1.916 8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.182 0.491 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.461 2.530 10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.999 1.625 11.495 1.00 0.00 H new ATOM 656 N PHE A 94 1.019 1.254 5.281 1.00 0.00 N ATOM 657 CA PHE A 94 2.080 1.063 4.298 1.00 0.00 C ATOM 658 C PHE A 94 2.883 -0.198 4.602 1.00 0.00 C ATOM 659 O PHE A 94 3.051 -0.595 5.755 1.00 0.00 O ATOM 660 CB PHE A 94 3.007 2.280 4.275 1.00 0.00 C ATOM 661 CG PHE A 94 2.581 3.341 3.301 1.00 0.00 C ATOM 662 CD1 PHE A 94 1.597 4.256 3.639 1.00 0.00 C ATOM 663 CD2 PHE A 94 3.165 3.423 2.047 1.00 0.00 C ATOM 664 CE1 PHE A 94 1.203 5.232 2.744 1.00 0.00 C ATOM 665 CE2 PHE A 94 2.775 4.397 1.147 1.00 0.00 C ATOM 666 CZ PHE A 94 1.793 5.304 1.497 1.00 0.00 C ATOM 0 H PHE A 94 1.100 2.111 5.828 1.00 0.00 H new ATOM 0 HA PHE A 94 1.617 0.949 3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.050 2.712 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.016 1.953 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.133 4.206 4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.934 2.717 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.434 5.938 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.237 4.449 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.487 6.068 0.797 1.00 0.00 H new ATOM 676 N PRO A 95 3.392 -0.844 3.542 1.00 0.00 N ATOM 677 CA PRO A 95 4.187 -2.069 3.669 1.00 0.00 C ATOM 678 C PRO A 95 5.554 -1.812 4.293 1.00 0.00 C ATOM 679 O PRO A 95 5.979 -0.669 4.466 1.00 0.00 O ATOM 680 CB PRO A 95 4.340 -2.544 2.222 1.00 0.00 C ATOM 681 CG PRO A 95 4.202 -1.309 1.401 1.00 0.00 C ATOM 682 CD PRO A 95 3.232 -0.427 2.139 1.00 0.00 C ATOM 0 HA PRO A 95 3.710 -2.798 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.308 -3.020 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.577 -3.278 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.165 -0.813 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.834 -1.544 0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.466 0.629 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.210 -0.574 1.790 1.00 0.00 H new ATOM 690 N PRO A 96 6.262 -2.897 4.639 1.00 0.00 N ATOM 691 CA PRO A 96 7.592 -2.814 5.248 1.00 0.00 C ATOM 692 C PRO A 96 8.649 -2.318 4.267 1.00 0.00 C ATOM 693 O PRO A 96 9.428 -1.418 4.581 1.00 0.00 O ATOM 694 CB PRO A 96 7.884 -4.258 5.663 1.00 0.00 C ATOM 695 CG PRO A 96 7.059 -5.090 4.743 1.00 0.00 C ATOM 696 CD PRO A 96 5.817 -4.290 4.462 1.00 0.00 C ATOM 0 HA PRO A 96 7.617 -2.105 6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.944 -4.492 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.614 -4.433 6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.600 -5.307 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.811 -6.048 5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.444 -4.468 3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.011 -4.545 5.150 1.00 0.00 H new ATOM 704 N SER A 97 8.670 -2.910 3.077 1.00 0.00 N ATOM 705 CA SER A 97 9.633 -2.530 2.051 1.00 0.00 C ATOM 706 C SER A 97 8.978 -1.652 0.989 1.00 0.00 C ATOM 707 O SER A 97 8.405 -2.153 0.021 1.00 0.00 O ATOM 708 CB SER A 97 10.234 -3.776 1.399 1.00 0.00 C ATOM 709 OG SER A 97 11.428 -3.463 0.703 1.00 0.00 O ATOM 0 H SER A 97 8.031 -3.655 2.800 1.00 0.00 H new ATOM 0 HA SER A 97 10.429 -1.959 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.441 -4.526 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.512 -4.214 0.710 1.00 0.00 H new ATOM 0 HG SER A 97 11.793 -4.277 0.297 1.00 0.00 H new ATOM 715 N TYR A 98 9.066 -0.340 1.177 1.00 0.00 N ATOM 716 CA TYR A 98 8.480 0.608 0.238 1.00 0.00 C ATOM 717 C TYR A 98 9.484 1.695 -0.136 1.00 0.00 C ATOM 718 O TYR A 98 9.126 2.864 -0.278 1.00 0.00 O ATOM 719 CB TYR A 98 7.224 1.243 0.838 1.00 0.00 C ATOM 720 CG TYR A 98 7.513 2.422 1.738 1.00 0.00 C ATOM 721 CD1 TYR A 98 8.139 2.247 2.966 1.00 0.00 C ATOM 722 CD2 TYR A 98 7.159 3.712 1.362 1.00 0.00 C ATOM 723 CE1 TYR A 98 8.404 3.322 3.793 1.00 0.00 C ATOM 724 CE2 TYR A 98 7.421 4.793 2.181 1.00 0.00 C ATOM 725 CZ TYR A 98 8.044 4.593 3.396 1.00 0.00 C ATOM 726 OH TYR A 98 8.306 5.666 4.215 1.00 0.00 O ATOM 0 H TYR A 98 9.538 0.091 1.972 1.00 0.00 H new ATOM 0 HA TYR A 98 8.207 0.063 -0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.569 1.566 0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.681 0.488 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.423 1.253 3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.670 3.872 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.890 3.168 4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.140 5.789 1.872 1.00 0.00 H new ATOM 0 HH TYR A 98 7.990 6.489 3.787 1.00 0.00 H new ATOM 736 N ALA A 99 10.743 1.300 -0.294 1.00 0.00 N ATOM 737 CA ALA A 99 11.798 2.238 -0.654 1.00 0.00 C ATOM 738 C ALA A 99 11.730 2.600 -2.134 1.00 0.00 C ATOM 739 O ALA A 99 11.758 3.775 -2.498 1.00 0.00 O ATOM 740 CB ALA A 99 13.162 1.655 -0.314 1.00 0.00 C ATOM 0 H ALA A 99 11.057 0.336 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 99 11.651 3.150 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.941 2.367 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.215 1.454 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.309 0.726 -0.866 1.00 0.00 H new ATOM 746 N GLY A 100 11.642 1.581 -2.984 1.00 0.00 N ATOM 747 CA GLY A 100 11.572 1.813 -4.415 1.00 0.00 C ATOM 748 C GLY A 100 10.446 1.041 -5.074 1.00 0.00 C ATOM 749 O GLY A 100 10.684 0.214 -5.954 1.00 0.00 O ATOM 0 H GLY A 100 11.618 0.600 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 100 11.435 2.878 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.520 1.529 -4.873 1.00 0.00 H new ATOM 753 N ILE A 101 9.217 1.310 -4.645 1.00 0.00 N ATOM 754 CA ILE A 101 8.051 0.634 -5.199 1.00 0.00 C ATOM 755 C ILE A 101 7.672 1.215 -6.557 1.00 0.00 C ATOM 756 O ILE A 101 7.625 2.432 -6.732 1.00 0.00 O ATOM 757 CB ILE A 101 6.839 0.736 -4.253 1.00 0.00 C ATOM 758 CG1 ILE A 101 7.236 0.321 -2.835 1.00 0.00 C ATOM 759 CG2 ILE A 101 5.696 -0.128 -4.763 1.00 0.00 C ATOM 760 CD1 ILE A 101 7.830 -1.068 -2.755 1.00 0.00 C ATOM 0 H ILE A 101 9.004 1.991 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 101 8.322 -0.415 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 101 6.502 1.772 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.957 1.039 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.357 0.369 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.847 -0.046 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.400 0.209 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.020 -1.167 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.088 -1.294 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.103 -1.796 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.728 -1.116 -3.371 1.00 0.00 H new ATOM 772 N SER A 102 7.400 0.335 -7.516 1.00 0.00 N ATOM 773 CA SER A 102 7.026 0.761 -8.860 1.00 0.00 C ATOM 774 C SER A 102 5.748 1.593 -8.830 1.00 0.00 C ATOM 775 O SER A 102 5.480 2.371 -9.745 1.00 0.00 O ATOM 776 CB SER A 102 6.836 -0.456 -9.768 1.00 0.00 C ATOM 777 OG SER A 102 5.930 -1.383 -9.195 1.00 0.00 O ATOM 0 H SER A 102 7.432 -0.676 -7.387 1.00 0.00 H new ATOM 0 HA SER A 102 7.831 1.379 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.465 -0.134 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.798 -0.940 -9.938 1.00 0.00 H new ATOM 0 HG SER A 102 5.824 -2.151 -9.795 1.00 0.00 H new ATOM 783 N GLU A 103 4.962 1.422 -7.771 1.00 0.00 N ATOM 784 CA GLU A 103 3.711 2.157 -7.623 1.00 0.00 C ATOM 785 C GLU A 103 3.908 3.398 -6.757 1.00 0.00 C ATOM 786 O GLU A 103 3.533 4.505 -7.145 1.00 0.00 O ATOM 787 CB GLU A 103 2.636 1.258 -7.008 1.00 0.00 C ATOM 788 CG GLU A 103 1.829 0.484 -8.036 1.00 0.00 C ATOM 789 CD GLU A 103 2.703 -0.327 -8.973 1.00 0.00 C ATOM 790 OE1 GLU A 103 3.413 0.282 -9.799 1.00 0.00 O ATOM 791 OE2 GLU A 103 2.676 -1.573 -8.879 1.00 0.00 O ATOM 0 H GLU A 103 5.169 0.782 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 103 3.386 2.475 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.111 0.553 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.959 1.871 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.137 -0.183 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.226 1.181 -8.619 1.00 0.00 H new ATOM 798 N LEU A 104 4.499 3.205 -5.583 1.00 0.00 N ATOM 799 CA LEU A 104 4.747 4.308 -4.661 1.00 0.00 C ATOM 800 C LEU A 104 6.083 4.980 -4.961 1.00 0.00 C ATOM 801 O LEU A 104 6.967 5.034 -4.108 1.00 0.00 O ATOM 802 CB LEU A 104 4.730 3.804 -3.217 1.00 0.00 C ATOM 803 CG LEU A 104 3.478 3.038 -2.788 1.00 0.00 C ATOM 804 CD1 LEU A 104 3.786 2.133 -1.605 1.00 0.00 C ATOM 805 CD2 LEU A 104 2.353 4.003 -2.445 1.00 0.00 C ATOM 0 H LEU A 104 4.815 2.295 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 104 3.954 5.044 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.595 3.158 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.853 4.660 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 104 3.153 2.415 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.884 1.596 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.559 1.418 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.136 2.736 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.470 3.440 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.667 4.653 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.114 4.609 -3.319 1.00 0.00 H new ATOM 817 N ASN A 105 6.220 5.493 -6.180 1.00 0.00 N ATOM 818 CA ASN A 105 7.448 6.163 -6.593 1.00 0.00 C ATOM 819 C ASN A 105 7.190 7.638 -6.888 1.00 0.00 C ATOM 820 O ASN A 105 7.648 8.516 -6.158 1.00 0.00 O ATOM 821 CB ASN A 105 8.036 5.479 -7.829 1.00 0.00 C ATOM 822 CG ASN A 105 9.009 6.372 -8.575 1.00 0.00 C ATOM 823 OD1 ASN A 105 9.666 7.227 -7.980 1.00 0.00 O ATOM 824 ND2 ASN A 105 9.105 6.177 -9.885 1.00 0.00 N ATOM 0 H ASN A 105 5.497 5.458 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 105 8.163 6.094 -5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.545 4.564 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.227 5.188 -8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.743 6.748 -10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.541 5.457 -10.336 1.00 0.00 H new ATOM 831 N GLN A 106 6.453 7.900 -7.962 1.00 0.00 N ATOM 832 CA GLN A 106 6.134 9.268 -8.354 1.00 0.00 C ATOM 833 C GLN A 106 4.638 9.427 -8.605 1.00 0.00 C ATOM 834 O GLN A 106 3.924 8.463 -8.883 1.00 0.00 O ATOM 835 CB GLN A 106 6.918 9.658 -9.608 1.00 0.00 C ATOM 836 CG GLN A 106 8.273 10.279 -9.309 1.00 0.00 C ATOM 837 CD GLN A 106 9.249 10.130 -10.459 1.00 0.00 C ATOM 838 OE1 GLN A 106 9.017 10.639 -11.556 1.00 0.00 O ATOM 839 NE2 GLN A 106 10.350 9.429 -10.215 1.00 0.00 N ATOM 0 H GLN A 106 6.066 7.184 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 106 6.419 9.930 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.062 8.772 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.326 10.362 -10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.142 11.337 -9.084 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.693 9.813 -8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.503 9.024 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.043 9.295 -10.951 1.00 0.00 H new ATOM 848 N PRO A 107 4.150 10.673 -8.505 1.00 0.00 N ATOM 849 CA PRO A 107 2.734 10.988 -8.718 1.00 0.00 C ATOM 850 C PRO A 107 2.320 10.838 -10.178 1.00 0.00 C ATOM 851 O PRO A 107 2.992 11.340 -11.079 1.00 0.00 O ATOM 852 CB PRO A 107 2.627 12.451 -8.280 1.00 0.00 C ATOM 853 CG PRO A 107 3.998 13.003 -8.464 1.00 0.00 C ATOM 854 CD PRO A 107 4.943 11.869 -8.178 1.00 0.00 C ATOM 0 HA PRO A 107 2.079 10.314 -8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.898 12.992 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 107 2.304 12.531 -7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.135 13.378 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.176 13.839 -7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.844 11.933 -8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.263 11.866 -7.136 1.00 0.00 H new ATOM 862 N ALA A 108 1.210 10.143 -10.405 1.00 0.00 N ATOM 863 CA ALA A 108 0.706 9.929 -11.756 1.00 0.00 C ATOM 864 C ALA A 108 0.554 11.251 -12.501 1.00 0.00 C ATOM 865 O ALA A 108 -0.303 12.068 -12.166 1.00 0.00 O ATOM 866 CB ALA A 108 -0.623 9.190 -11.712 1.00 0.00 C ATOM 0 H ALA A 108 0.643 9.719 -9.671 1.00 0.00 H new ATOM 0 HA ALA A 108 1.431 9.319 -12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.988 9.037 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.486 8.224 -11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.348 9.779 -11.151 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.299 -2.699 -0.942 1.00 0.00 ZN