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 71 ASN : amide:sc= 0.833 K(o=1.2,f=-6.6!) USER MOD Set 1.2: A 74 CYS SG : rot 42:sc= 0.0921 USER MOD Set 1.3: A 86 ASN : amide:sc= 0.233 X(o=1.2,f=1.5) USER MOD Set 2.1: A 62 SER OG : rot -120:sc= 0.533 USER MOD Set 2.2: A 92 ASN : amide:sc= -0.0224 K(o=0.51,f=-2.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 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= -0.125 USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00103 USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 75 GLN : amide:sc= -0.763 K(o=-0.76,f=-4.2!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 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=-0.00995 X(o=-0.0099,f=0.18) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot -51:sc= 0.671 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 25.664 1.023 -1.531 1.00 0.00 N ATOM 2 CA GLY A 50 24.719 2.071 -1.873 1.00 0.00 C ATOM 3 C GLY A 50 23.607 1.576 -2.777 1.00 0.00 C ATOM 4 O GLY A 50 23.239 0.402 -2.735 1.00 0.00 O ATOM 0 HA2 GLY A 50 24.286 2.478 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.248 2.887 -2.366 1.00 0.00 H new ATOM 8 N SER A 51 23.068 2.474 -3.595 1.00 0.00 N ATOM 9 CA SER A 51 21.987 2.124 -4.509 1.00 0.00 C ATOM 10 C SER A 51 22.373 0.928 -5.374 1.00 0.00 C ATOM 11 O SER A 51 23.155 1.055 -6.316 1.00 0.00 O ATOM 12 CB SER A 51 21.635 3.319 -5.398 1.00 0.00 C ATOM 13 OG SER A 51 20.957 4.321 -4.661 1.00 0.00 O ATOM 0 H SER A 51 23.362 3.449 -3.644 1.00 0.00 H new ATOM 0 HA SER A 51 21.115 1.854 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.545 3.735 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.010 2.988 -6.227 1.00 0.00 H new ATOM 0 HG SER A 51 20.745 5.074 -5.251 1.00 0.00 H new ATOM 19 N SER A 52 21.817 -0.235 -5.046 1.00 0.00 N ATOM 20 CA SER A 52 22.105 -1.455 -5.790 1.00 0.00 C ATOM 21 C SER A 52 21.027 -2.507 -5.546 1.00 0.00 C ATOM 22 O SER A 52 20.473 -2.602 -4.452 1.00 0.00 O ATOM 23 CB SER A 52 23.474 -2.010 -5.390 1.00 0.00 C ATOM 24 OG SER A 52 23.907 -3.006 -6.301 1.00 0.00 O ATOM 0 H SER A 52 21.165 -0.357 -4.271 1.00 0.00 H new ATOM 0 HA SER A 52 22.116 -1.210 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.203 -1.200 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.420 -2.430 -4.386 1.00 0.00 H new ATOM 0 HG SER A 52 24.785 -3.343 -6.024 1.00 0.00 H new ATOM 30 N GLY A 53 20.735 -3.296 -6.576 1.00 0.00 N ATOM 31 CA GLY A 53 19.724 -4.330 -6.454 1.00 0.00 C ATOM 32 C GLY A 53 18.414 -3.799 -5.908 1.00 0.00 C ATOM 33 O GLY A 53 18.256 -3.642 -4.697 1.00 0.00 O ATOM 0 H GLY A 53 21.180 -3.237 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.551 -4.781 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.093 -5.119 -5.799 1.00 0.00 H new ATOM 37 N SER A 54 17.471 -3.519 -6.802 1.00 0.00 N ATOM 38 CA SER A 54 16.169 -2.997 -6.403 1.00 0.00 C ATOM 39 C SER A 54 15.123 -4.108 -6.377 1.00 0.00 C ATOM 40 O SER A 54 15.127 -4.999 -7.226 1.00 0.00 O ATOM 41 CB SER A 54 15.727 -1.887 -7.359 1.00 0.00 C ATOM 42 OG SER A 54 15.468 -2.401 -8.653 1.00 0.00 O ATOM 0 H SER A 54 17.584 -3.645 -7.808 1.00 0.00 H new ATOM 0 HA SER A 54 16.262 -2.586 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.831 -1.404 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.502 -1.123 -7.416 1.00 0.00 H new ATOM 0 HG SER A 54 15.186 -1.672 -9.244 1.00 0.00 H new ATOM 48 N SER A 55 14.229 -4.046 -5.396 1.00 0.00 N ATOM 49 CA SER A 55 13.178 -5.048 -5.256 1.00 0.00 C ATOM 50 C SER A 55 11.989 -4.483 -4.485 1.00 0.00 C ATOM 51 O SER A 55 12.117 -3.500 -3.757 1.00 0.00 O ATOM 52 CB SER A 55 13.720 -6.289 -4.543 1.00 0.00 C ATOM 53 OG SER A 55 14.755 -6.898 -5.295 1.00 0.00 O ATOM 0 H SER A 55 14.211 -3.313 -4.687 1.00 0.00 H new ATOM 0 HA SER A 55 12.841 -5.329 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.097 -6.011 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.912 -7.004 -4.385 1.00 0.00 H new ATOM 0 HG SER A 55 15.085 -7.687 -4.817 1.00 0.00 H new ATOM 59 N GLY A 56 10.830 -5.114 -4.652 1.00 0.00 N ATOM 60 CA GLY A 56 9.634 -4.661 -3.966 1.00 0.00 C ATOM 61 C GLY A 56 8.429 -5.530 -4.268 1.00 0.00 C ATOM 62 O GLY A 56 8.058 -5.705 -5.429 1.00 0.00 O ATOM 0 H GLY A 56 10.698 -5.930 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.815 -4.657 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.419 -3.633 -4.257 1.00 0.00 H new ATOM 66 N GLU A 57 7.818 -6.076 -3.222 1.00 0.00 N ATOM 67 CA GLU A 57 6.649 -6.934 -3.382 1.00 0.00 C ATOM 68 C GLU A 57 5.380 -6.100 -3.533 1.00 0.00 C ATOM 69 O GLU A 57 5.279 -4.980 -3.034 1.00 0.00 O ATOM 70 CB GLU A 57 6.513 -7.878 -2.186 1.00 0.00 C ATOM 71 CG GLU A 57 7.384 -9.119 -2.288 1.00 0.00 C ATOM 72 CD GLU A 57 7.541 -9.832 -0.959 1.00 0.00 C ATOM 73 OE1 GLU A 57 6.654 -10.639 -0.610 1.00 0.00 O ATOM 74 OE2 GLU A 57 8.551 -9.584 -0.268 1.00 0.00 O ATOM 0 H GLU A 57 8.112 -5.940 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 57 6.785 -7.525 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.771 -7.337 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.471 -8.183 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.949 -9.805 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.368 -8.838 -2.664 1.00 0.00 H new ATOM 81 N PRO A 58 4.386 -6.659 -4.240 1.00 0.00 N ATOM 82 CA PRO A 58 3.105 -5.986 -4.474 1.00 0.00 C ATOM 83 C PRO A 58 2.269 -5.873 -3.204 1.00 0.00 C ATOM 84 O PRO A 58 2.117 -6.842 -2.460 1.00 0.00 O ATOM 85 CB PRO A 58 2.409 -6.893 -5.493 1.00 0.00 C ATOM 86 CG PRO A 58 3.011 -8.238 -5.277 1.00 0.00 C ATOM 87 CD PRO A 58 4.437 -7.992 -4.865 1.00 0.00 C ATOM 0 HA PRO A 58 3.240 -4.960 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.331 -6.912 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.575 -6.544 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.471 -8.788 -4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.965 -8.837 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.790 -8.750 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.111 -8.009 -5.721 1.00 0.00 H new ATOM 95 N VAL A 59 1.728 -4.683 -2.961 1.00 0.00 N ATOM 96 CA VAL A 59 0.906 -4.443 -1.781 1.00 0.00 C ATOM 97 C VAL A 59 -0.552 -4.803 -2.044 1.00 0.00 C ATOM 98 O VAL A 59 -1.338 -3.967 -2.492 1.00 0.00 O ATOM 99 CB VAL A 59 0.988 -2.973 -1.329 1.00 0.00 C ATOM 100 CG1 VAL A 59 0.094 -2.735 -0.122 1.00 0.00 C ATOM 101 CG2 VAL A 59 2.427 -2.589 -1.022 1.00 0.00 C ATOM 0 H VAL A 59 1.844 -3.870 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 59 1.297 -5.081 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 59 0.634 -2.340 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.165 -1.691 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.939 -2.968 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.414 -3.376 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.466 -1.547 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.811 -3.226 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.037 -2.718 -1.916 1.00 0.00 H new ATOM 111 N LEU A 60 -0.907 -6.052 -1.764 1.00 0.00 N ATOM 112 CA LEU A 60 -2.272 -6.523 -1.970 1.00 0.00 C ATOM 113 C LEU A 60 -3.169 -6.122 -0.803 1.00 0.00 C ATOM 114 O LEU A 60 -2.881 -6.438 0.352 1.00 0.00 O ATOM 115 CB LEU A 60 -2.287 -8.043 -2.140 1.00 0.00 C ATOM 116 CG LEU A 60 -1.562 -8.588 -3.371 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.447 -10.102 -3.296 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.283 -8.168 -4.644 1.00 0.00 C ATOM 0 H LEU A 60 -0.269 -6.757 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.658 -6.058 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.842 -8.492 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.325 -8.374 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.556 -8.169 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.928 -10.472 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.886 -10.381 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.444 -10.541 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.753 -8.565 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.301 -8.558 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.312 -7.080 -4.704 1.00 0.00 H new ATOM 130 N CYS A 61 -4.258 -5.426 -1.112 1.00 0.00 N ATOM 131 CA CYS A 61 -5.198 -4.983 -0.090 1.00 0.00 C ATOM 132 C CYS A 61 -5.410 -6.068 0.961 1.00 0.00 C ATOM 133 O CYS A 61 -5.407 -7.258 0.649 1.00 0.00 O ATOM 134 CB CYS A 61 -6.537 -4.607 -0.729 1.00 0.00 C ATOM 135 SG CYS A 61 -7.476 -3.351 0.198 1.00 0.00 S ATOM 0 H CYS A 61 -4.511 -5.157 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.777 -4.105 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.355 -4.238 -1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.147 -5.505 -0.824 1.00 0.00 H new ATOM 140 N SER A 62 -5.595 -5.647 2.209 1.00 0.00 N ATOM 141 CA SER A 62 -5.805 -6.582 3.308 1.00 0.00 C ATOM 142 C SER A 62 -7.059 -7.420 3.076 1.00 0.00 C ATOM 143 O SER A 62 -6.997 -8.648 3.017 1.00 0.00 O ATOM 144 CB SER A 62 -5.920 -5.827 4.633 1.00 0.00 C ATOM 145 OG SER A 62 -6.918 -4.823 4.563 1.00 0.00 O ATOM 0 H SER A 62 -5.604 -4.665 2.484 1.00 0.00 H new ATOM 0 HA SER A 62 -4.945 -7.251 3.353 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.159 -6.526 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.960 -5.374 4.881 1.00 0.00 H new ATOM 0 HG SER A 62 -6.515 -3.948 4.741 1.00 0.00 H new ATOM 151 N ARG A 63 -8.197 -6.746 2.946 1.00 0.00 N ATOM 152 CA ARG A 63 -9.467 -7.427 2.722 1.00 0.00 C ATOM 153 C ARG A 63 -9.304 -8.567 1.721 1.00 0.00 C ATOM 154 O ARG A 63 -8.866 -8.357 0.589 1.00 0.00 O ATOM 155 CB ARG A 63 -10.519 -6.437 2.217 1.00 0.00 C ATOM 156 CG ARG A 63 -11.949 -6.900 2.442 1.00 0.00 C ATOM 157 CD ARG A 63 -12.947 -5.978 1.759 1.00 0.00 C ATOM 158 NE ARG A 63 -14.259 -6.022 2.398 1.00 0.00 N ATOM 159 CZ ARG A 63 -14.585 -5.290 3.457 1.00 0.00 C ATOM 160 NH1 ARG A 63 -13.700 -4.461 3.992 1.00 0.00 N ATOM 161 NH2 ARG A 63 -15.800 -5.385 3.983 1.00 0.00 N ATOM 0 H ARG A 63 -8.266 -5.729 2.992 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.798 -7.846 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.373 -5.479 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.364 -6.268 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.069 -7.914 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.157 -6.935 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.568 -4.956 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.044 -6.262 0.711 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.964 -6.649 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.766 -4.384 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.953 -3.900 4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.485 -6.021 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.049 -4.822 4.796 1.00 0.00 H new ATOM 175 N THR A 64 -9.658 -9.776 2.145 1.00 0.00 N ATOM 176 CA THR A 64 -9.550 -10.949 1.288 1.00 0.00 C ATOM 177 C THR A 64 -10.401 -10.794 0.033 1.00 0.00 C ATOM 178 O THR A 64 -9.982 -11.165 -1.064 1.00 0.00 O ATOM 179 CB THR A 64 -9.979 -12.229 2.030 1.00 0.00 C ATOM 180 OG1 THR A 64 -11.346 -12.122 2.440 1.00 0.00 O ATOM 181 CG2 THR A 64 -9.097 -12.471 3.246 1.00 0.00 C ATOM 0 H THR A 64 -10.022 -9.968 3.078 1.00 0.00 H new ATOM 0 HA THR A 64 -8.501 -11.036 1.004 1.00 0.00 H new ATOM 0 HB THR A 64 -9.869 -13.072 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.612 -12.940 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.419 -13.380 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.060 -12.581 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.179 -11.625 3.929 1.00 0.00 H new ATOM 189 N THR A 65 -11.599 -10.242 0.200 1.00 0.00 N ATOM 190 CA THR A 65 -12.509 -10.038 -0.919 1.00 0.00 C ATOM 191 C THR A 65 -11.952 -9.014 -1.902 1.00 0.00 C ATOM 192 O THR A 65 -12.037 -9.194 -3.117 1.00 0.00 O ATOM 193 CB THR A 65 -13.895 -9.569 -0.438 1.00 0.00 C ATOM 194 OG1 THR A 65 -13.760 -8.405 0.385 1.00 0.00 O ATOM 195 CG2 THR A 65 -14.598 -10.670 0.343 1.00 0.00 C ATOM 0 H THR A 65 -11.961 -9.928 1.100 1.00 0.00 H new ATOM 0 HA THR A 65 -12.613 -11.000 -1.421 1.00 0.00 H new ATOM 0 HB THR A 65 -14.496 -9.326 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.646 -8.112 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.575 -10.316 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.726 -11.544 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.998 -10.940 1.212 1.00 0.00 H new ATOM 203 N CYS A 66 -11.381 -7.939 -1.368 1.00 0.00 N ATOM 204 CA CYS A 66 -10.809 -6.886 -2.198 1.00 0.00 C ATOM 205 C CYS A 66 -9.519 -7.357 -2.864 1.00 0.00 C ATOM 206 O CYS A 66 -9.445 -7.466 -4.088 1.00 0.00 O ATOM 207 CB CYS A 66 -10.534 -5.638 -1.356 1.00 0.00 C ATOM 208 SG CYS A 66 -10.272 -4.124 -2.334 1.00 0.00 S ATOM 0 H CYS A 66 -11.302 -7.775 -0.364 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.530 -6.640 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.372 -5.479 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.653 -5.816 -0.739 1.00 0.00 H new ATOM 213 N ARG A 67 -8.507 -7.637 -2.049 1.00 0.00 N ATOM 214 CA ARG A 67 -7.221 -8.096 -2.559 1.00 0.00 C ATOM 215 C ARG A 67 -6.842 -7.346 -3.833 1.00 0.00 C ATOM 216 O ARG A 67 -6.360 -7.942 -4.795 1.00 0.00 O ATOM 217 CB ARG A 67 -7.264 -9.600 -2.834 1.00 0.00 C ATOM 218 CG ARG A 67 -7.300 -10.449 -1.573 1.00 0.00 C ATOM 219 CD ARG A 67 -5.966 -10.419 -0.844 1.00 0.00 C ATOM 220 NE ARG A 67 -4.918 -11.109 -1.590 1.00 0.00 N ATOM 221 CZ ARG A 67 -4.714 -12.420 -1.528 1.00 0.00 C ATOM 222 NH1 ARG A 67 -5.482 -13.179 -0.759 1.00 0.00 N ATOM 223 NH2 ARG A 67 -3.740 -12.975 -2.238 1.00 0.00 N ATOM 0 H ARG A 67 -8.553 -7.554 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.465 -7.894 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.142 -9.825 -3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.391 -9.878 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.086 -10.086 -0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.551 -11.477 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.669 -9.384 -0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.078 -10.883 0.136 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.309 -10.554 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.233 -12.757 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.322 -14.185 -0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.147 -12.395 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.584 -13.982 -2.190 1.00 0.00 H new ATOM 237 N ALA A 68 -7.064 -6.036 -3.830 1.00 0.00 N ATOM 238 CA ALA A 68 -6.744 -5.205 -4.984 1.00 0.00 C ATOM 239 C ALA A 68 -5.305 -4.707 -4.920 1.00 0.00 C ATOM 240 O ALA A 68 -4.847 -4.234 -3.881 1.00 0.00 O ATOM 241 CB ALA A 68 -7.708 -4.030 -5.072 1.00 0.00 C ATOM 0 H ALA A 68 -7.464 -5.527 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.850 -5.816 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.457 -3.418 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.727 -4.402 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.630 -3.427 -4.167 1.00 0.00 H new ATOM 247 N ALA A 69 -4.595 -4.817 -6.039 1.00 0.00 N ATOM 248 CA ALA A 69 -3.208 -4.376 -6.110 1.00 0.00 C ATOM 249 C ALA A 69 -3.104 -2.862 -5.961 1.00 0.00 C ATOM 250 O ALA A 69 -3.922 -2.117 -6.504 1.00 0.00 O ATOM 251 CB ALA A 69 -2.578 -4.824 -7.420 1.00 0.00 C ATOM 0 H ALA A 69 -4.958 -5.208 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.665 -4.834 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.542 -4.488 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.609 -5.912 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.131 -4.394 -8.255 1.00 0.00 H new ATOM 257 N LEU A 70 -2.095 -2.412 -5.223 1.00 0.00 N ATOM 258 CA LEU A 70 -1.885 -0.985 -5.003 1.00 0.00 C ATOM 259 C LEU A 70 -1.996 -0.210 -6.312 1.00 0.00 C ATOM 260 O LEU A 70 -1.169 -0.365 -7.209 1.00 0.00 O ATOM 261 CB LEU A 70 -0.514 -0.744 -4.369 1.00 0.00 C ATOM 262 CG LEU A 70 -0.190 0.705 -4.004 1.00 0.00 C ATOM 263 CD1 LEU A 70 -1.114 1.198 -2.902 1.00 0.00 C ATOM 264 CD2 LEU A 70 1.266 0.835 -3.579 1.00 0.00 C ATOM 0 H LEU A 70 -1.410 -3.014 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.660 -0.629 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.442 -1.350 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.251 -1.104 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.348 1.325 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.868 2.231 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.148 1.142 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.989 0.575 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.479 1.873 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.450 0.202 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.913 0.523 -4.399 1.00 0.00 H new ATOM 276 N ASN A 71 -3.024 0.627 -6.412 1.00 0.00 N ATOM 277 CA ASN A 71 -3.243 1.428 -7.611 1.00 0.00 C ATOM 278 C ASN A 71 -3.149 2.917 -7.294 1.00 0.00 C ATOM 279 O ASN A 71 -3.345 3.350 -6.158 1.00 0.00 O ATOM 280 CB ASN A 71 -4.610 1.110 -8.220 1.00 0.00 C ATOM 281 CG ASN A 71 -5.706 1.036 -7.174 1.00 0.00 C ATOM 282 OD1 ASN A 71 -6.345 2.040 -6.856 1.00 0.00 O ATOM 283 ND2 ASN A 71 -5.927 -0.156 -6.632 1.00 0.00 N ATOM 0 H ASN A 71 -3.718 0.768 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.465 1.178 -8.332 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.864 1.874 -8.955 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.555 0.161 -8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.651 -0.267 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.373 -0.961 -6.926 1.00 0.00 H new ATOM 290 N PRO A 72 -2.841 3.723 -8.322 1.00 0.00 N ATOM 291 CA PRO A 72 -2.715 5.176 -8.179 1.00 0.00 C ATOM 292 C PRO A 72 -4.057 5.852 -7.923 1.00 0.00 C ATOM 293 O PRO A 72 -4.120 7.057 -7.676 1.00 0.00 O ATOM 294 CB PRO A 72 -2.142 5.617 -9.528 1.00 0.00 C ATOM 295 CG PRO A 72 -2.572 4.560 -10.486 1.00 0.00 C ATOM 296 CD PRO A 72 -2.594 3.276 -9.703 1.00 0.00 C ATOM 0 HA PRO A 72 -2.093 5.449 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.524 6.595 -9.820 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.056 5.698 -9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.556 4.783 -10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.883 4.492 -11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.377 2.605 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.650 2.737 -9.788 1.00 0.00 H new ATOM 304 N LEU A 73 -5.129 5.070 -7.984 1.00 0.00 N ATOM 305 CA LEU A 73 -6.472 5.594 -7.759 1.00 0.00 C ATOM 306 C LEU A 73 -6.749 5.759 -6.268 1.00 0.00 C ATOM 307 O LEU A 73 -7.315 6.766 -5.839 1.00 0.00 O ATOM 308 CB LEU A 73 -7.515 4.664 -8.382 1.00 0.00 C ATOM 309 CG LEU A 73 -7.705 4.788 -9.894 1.00 0.00 C ATOM 310 CD1 LEU A 73 -6.580 4.079 -10.633 1.00 0.00 C ATOM 311 CD2 LEU A 73 -9.056 4.225 -10.310 1.00 0.00 C ATOM 0 H LEU A 73 -5.095 4.071 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.537 6.573 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.238 3.635 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.474 4.850 -7.899 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.677 5.845 -10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.732 4.178 -11.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.625 4.527 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.576 3.023 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.174 4.322 -11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.113 3.173 -10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.850 4.777 -9.807 1.00 0.00 H new ATOM 323 N CYS A 74 -6.344 4.767 -5.483 1.00 0.00 N ATOM 324 CA CYS A 74 -6.547 4.803 -4.039 1.00 0.00 C ATOM 325 C CYS A 74 -5.931 6.060 -3.434 1.00 0.00 C ATOM 326 O CYS A 74 -4.831 6.465 -3.810 1.00 0.00 O ATOM 327 CB CYS A 74 -5.942 3.559 -3.387 1.00 0.00 C ATOM 328 SG CYS A 74 -6.608 1.999 -4.013 1.00 0.00 S ATOM 0 H CYS A 74 -5.873 3.928 -5.822 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.620 4.819 -3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.863 3.569 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.110 3.608 -2.311 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.727 2.066 -5.306 1.00 0.00 H new ATOM 334 N GLN A 75 -6.648 6.673 -2.498 1.00 0.00 N ATOM 335 CA GLN A 75 -6.171 7.886 -1.844 1.00 0.00 C ATOM 336 C GLN A 75 -4.907 7.608 -1.037 1.00 0.00 C ATOM 337 O GLN A 75 -4.974 7.132 0.097 1.00 0.00 O ATOM 338 CB GLN A 75 -7.258 8.459 -0.932 1.00 0.00 C ATOM 339 CG GLN A 75 -7.198 9.971 -0.790 1.00 0.00 C ATOM 340 CD GLN A 75 -6.325 10.415 0.367 1.00 0.00 C ATOM 341 OE1 GLN A 75 -5.508 9.645 0.874 1.00 0.00 O ATOM 342 NE2 GLN A 75 -6.492 11.662 0.791 1.00 0.00 N ATOM 0 H GLN A 75 -7.560 6.350 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.933 8.617 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.235 8.178 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.168 8.006 0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.817 10.404 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.207 10.359 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.181 12.266 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.932 12.016 1.566 1.00 0.00 H new ATOM 351 N VAL A 76 -3.756 7.909 -1.628 1.00 0.00 N ATOM 352 CA VAL A 76 -2.476 7.693 -0.964 1.00 0.00 C ATOM 353 C VAL A 76 -2.067 8.914 -0.147 1.00 0.00 C ATOM 354 O VAL A 76 -1.951 10.018 -0.678 1.00 0.00 O ATOM 355 CB VAL A 76 -1.363 7.373 -1.980 1.00 0.00 C ATOM 356 CG1 VAL A 76 -0.054 7.079 -1.263 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.771 6.204 -2.864 1.00 0.00 C ATOM 0 H VAL A 76 -3.683 8.303 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.606 6.840 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.212 8.245 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.720 6.855 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.243 7.948 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.186 6.223 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.974 5.991 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.949 5.325 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.683 6.458 -3.405 1.00 0.00 H new ATOM 367 N ASP A 77 -1.850 8.707 1.147 1.00 0.00 N ATOM 368 CA ASP A 77 -1.453 9.791 2.038 1.00 0.00 C ATOM 369 C ASP A 77 -0.029 9.583 2.545 1.00 0.00 C ATOM 370 O ASP A 77 0.183 9.242 3.709 1.00 0.00 O ATOM 371 CB ASP A 77 -2.419 9.889 3.220 1.00 0.00 C ATOM 372 CG ASP A 77 -2.546 11.304 3.748 1.00 0.00 C ATOM 373 OD1 ASP A 77 -1.588 11.787 4.386 1.00 0.00 O ATOM 374 OD2 ASP A 77 -3.604 11.929 3.524 1.00 0.00 O ATOM 0 H ASP A 77 -1.942 7.799 1.602 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.487 10.723 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.401 9.529 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.076 9.235 4.021 1.00 0.00 H new ATOM 379 N TYR A 78 0.943 9.789 1.664 1.00 0.00 N ATOM 380 CA TYR A 78 2.347 9.621 2.021 1.00 0.00 C ATOM 381 C TYR A 78 2.649 10.272 3.367 1.00 0.00 C ATOM 382 O TYR A 78 3.419 9.742 4.168 1.00 0.00 O ATOM 383 CB TYR A 78 3.246 10.222 0.939 1.00 0.00 C ATOM 384 CG TYR A 78 2.845 9.831 -0.466 1.00 0.00 C ATOM 385 CD1 TYR A 78 1.868 10.541 -1.153 1.00 0.00 C ATOM 386 CD2 TYR A 78 3.444 8.753 -1.106 1.00 0.00 C ATOM 387 CE1 TYR A 78 1.498 10.187 -2.436 1.00 0.00 C ATOM 388 CE2 TYR A 78 3.082 8.394 -2.390 1.00 0.00 C ATOM 389 CZ TYR A 78 2.108 9.114 -3.051 1.00 0.00 C ATOM 390 OH TYR A 78 1.743 8.758 -4.329 1.00 0.00 O ATOM 0 H TYR A 78 0.785 10.073 0.697 1.00 0.00 H new ATOM 0 HA TYR A 78 2.549 8.553 2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 78 3.227 11.308 1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 78 4.274 9.906 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.390 11.384 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.205 8.186 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.735 10.748 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.559 7.554 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 78 2.269 7.982 -4.615 1.00 0.00 H new ATOM 400 N ARG A 79 2.035 11.426 3.610 1.00 0.00 N ATOM 401 CA ARG A 79 2.237 12.151 4.858 1.00 0.00 C ATOM 402 C ARG A 79 2.001 11.241 6.060 1.00 0.00 C ATOM 403 O ARG A 79 2.880 11.071 6.904 1.00 0.00 O ATOM 404 CB ARG A 79 1.301 13.360 4.928 1.00 0.00 C ATOM 405 CG ARG A 79 1.865 14.521 5.730 1.00 0.00 C ATOM 406 CD ARG A 79 2.080 14.141 7.186 1.00 0.00 C ATOM 407 NE ARG A 79 2.502 15.283 7.993 1.00 0.00 N ATOM 408 CZ ARG A 79 1.662 16.187 8.483 1.00 0.00 C ATOM 409 NH1 ARG A 79 0.361 16.084 8.248 1.00 0.00 N ATOM 410 NH2 ARG A 79 2.122 17.198 9.209 1.00 0.00 N ATOM 0 H ARG A 79 1.394 11.878 2.959 1.00 0.00 H new ATOM 0 HA ARG A 79 3.270 12.498 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.084 13.700 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.354 13.050 5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.811 14.841 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.184 15.370 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.156 13.731 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.833 13.355 7.248 1.00 0.00 H new ATOM 0 HE ARG A 79 3.497 15.392 8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.003 15.309 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.282 16.780 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.122 17.281 9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.475 17.892 9.585 1.00 0.00 H new ATOM 424 N ALA A 80 0.808 10.660 6.130 1.00 0.00 N ATOM 425 CA ALA A 80 0.457 9.766 7.227 1.00 0.00 C ATOM 426 C ALA A 80 0.742 8.313 6.864 1.00 0.00 C ATOM 427 O ALA A 80 0.101 7.396 7.379 1.00 0.00 O ATOM 428 CB ALA A 80 -1.008 9.941 7.602 1.00 0.00 C ATOM 0 H ALA A 80 0.068 10.792 5.440 1.00 0.00 H new ATOM 0 HA ALA A 80 1.075 10.026 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.257 9.268 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.184 10.971 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.634 9.710 6.740 1.00 0.00 H new ATOM 434 N LYS A 81 1.707 8.109 5.974 1.00 0.00 N ATOM 435 CA LYS A 81 2.079 6.767 5.542 1.00 0.00 C ATOM 436 C LYS A 81 0.857 5.856 5.486 1.00 0.00 C ATOM 437 O LYS A 81 0.936 4.672 5.818 1.00 0.00 O ATOM 438 CB LYS A 81 3.126 6.175 6.488 1.00 0.00 C ATOM 439 CG LYS A 81 4.383 7.020 6.608 1.00 0.00 C ATOM 440 CD LYS A 81 5.209 6.621 7.819 1.00 0.00 C ATOM 441 CE LYS A 81 6.100 7.762 8.287 1.00 0.00 C ATOM 442 NZ LYS A 81 7.376 7.819 7.521 1.00 0.00 N ATOM 0 H LYS A 81 2.246 8.857 5.537 1.00 0.00 H new ATOM 0 HA LYS A 81 2.503 6.840 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.683 6.054 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.399 5.180 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.983 6.911 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.109 8.072 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.546 6.320 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.824 5.756 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.568 8.707 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.318 7.641 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.955 8.609 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.896 6.927 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.169 7.960 6.512 1.00 0.00 H new ATOM 456 N LEU A 82 -0.272 6.413 5.062 1.00 0.00 N ATOM 457 CA LEU A 82 -1.511 5.650 4.960 1.00 0.00 C ATOM 458 C LEU A 82 -2.031 5.643 3.526 1.00 0.00 C ATOM 459 O LEU A 82 -1.597 6.440 2.695 1.00 0.00 O ATOM 460 CB LEU A 82 -2.571 6.234 5.896 1.00 0.00 C ATOM 461 CG LEU A 82 -2.557 5.714 7.334 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.444 6.574 8.221 1.00 0.00 C ATOM 463 CD2 LEU A 82 -3.003 4.260 7.380 1.00 0.00 C ATOM 0 H LEU A 82 -0.355 7.391 4.783 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.301 4.622 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.448 7.317 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.554 6.035 5.468 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.536 5.772 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.422 6.189 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.080 7.601 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.467 6.549 7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.987 3.907 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.015 4.177 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.327 3.653 6.778 1.00 0.00 H new ATOM 475 N TRP A 83 -2.963 4.739 3.245 1.00 0.00 N ATOM 476 CA TRP A 83 -3.543 4.630 1.911 1.00 0.00 C ATOM 477 C TRP A 83 -4.935 4.011 1.972 1.00 0.00 C ATOM 478 O TRP A 83 -5.092 2.851 2.353 1.00 0.00 O ATOM 479 CB TRP A 83 -2.638 3.794 1.006 1.00 0.00 C ATOM 480 CG TRP A 83 -2.566 2.352 1.407 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.825 1.821 2.425 1.00 0.00 C ATOM 482 CD2 TRP A 83 -3.258 1.257 0.798 1.00 0.00 C ATOM 483 NE1 TRP A 83 -2.016 0.461 2.485 1.00 0.00 N ATOM 484 CE2 TRP A 83 -2.891 0.091 1.498 1.00 0.00 C ATOM 485 CE3 TRP A 83 -4.154 1.148 -0.269 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -3.388 -1.166 1.163 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -4.646 -0.100 -0.600 1.00 0.00 C ATOM 488 CH2 TRP A 83 -4.264 -1.243 0.114 1.00 0.00 C ATOM 0 H TRP A 83 -3.333 4.072 3.922 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.631 5.634 1.496 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.000 3.861 -0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.634 4.217 1.017 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -1.184 2.386 3.085 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -1.577 -0.170 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.456 2.023 -0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.093 -2.048 1.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.338 -0.196 -1.424 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.668 -2.204 -0.169 1.00 0.00 H new ATOM 499 N ALA A 84 -5.943 4.791 1.596 1.00 0.00 N ATOM 500 CA ALA A 84 -7.321 4.317 1.606 1.00 0.00 C ATOM 501 C ALA A 84 -7.713 3.740 0.250 1.00 0.00 C ATOM 502 O ALA A 84 -7.500 4.366 -0.788 1.00 0.00 O ATOM 503 CB ALA A 84 -8.265 5.446 1.993 1.00 0.00 C ATOM 0 H ALA A 84 -5.831 5.754 1.281 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.400 3.522 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.291 5.078 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.007 5.811 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.174 6.259 1.273 1.00 0.00 H new ATOM 509 N CYS A 85 -8.286 2.541 0.266 1.00 0.00 N ATOM 510 CA CYS A 85 -8.707 1.878 -0.962 1.00 0.00 C ATOM 511 C CYS A 85 -9.851 2.638 -1.627 1.00 0.00 C ATOM 512 O CYS A 85 -10.614 3.337 -0.962 1.00 0.00 O ATOM 513 CB CYS A 85 -9.139 0.440 -0.668 1.00 0.00 C ATOM 514 SG CYS A 85 -9.027 -0.679 -2.101 1.00 0.00 S ATOM 0 H CYS A 85 -8.469 2.009 1.117 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.858 1.863 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.521 0.044 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.167 0.448 -0.306 1.00 0.00 H new ATOM 519 N ASN A 86 -9.962 2.496 -2.944 1.00 0.00 N ATOM 520 CA ASN A 86 -11.013 3.170 -3.699 1.00 0.00 C ATOM 521 C ASN A 86 -12.245 2.280 -3.829 1.00 0.00 C ATOM 522 O ASN A 86 -13.351 2.764 -4.071 1.00 0.00 O ATOM 523 CB ASN A 86 -10.501 3.559 -5.088 1.00 0.00 C ATOM 524 CG ASN A 86 -10.582 2.411 -6.075 1.00 0.00 C ATOM 525 OD1 ASN A 86 -11.609 2.203 -6.721 1.00 0.00 O ATOM 526 ND2 ASN A 86 -9.494 1.658 -6.197 1.00 0.00 N ATOM 0 H ASN A 86 -9.338 1.921 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.295 4.073 -3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.083 4.400 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.467 3.896 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.488 0.871 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.664 1.867 -5.641 1.00 0.00 H new ATOM 533 N PHE A 87 -12.047 0.976 -3.665 1.00 0.00 N ATOM 534 CA PHE A 87 -13.142 0.018 -3.764 1.00 0.00 C ATOM 535 C PHE A 87 -13.687 -0.330 -2.382 1.00 0.00 C ATOM 536 O PHE A 87 -14.761 0.128 -1.993 1.00 0.00 O ATOM 537 CB PHE A 87 -12.672 -1.253 -4.475 1.00 0.00 C ATOM 538 CG PHE A 87 -12.302 -1.033 -5.914 1.00 0.00 C ATOM 539 CD1 PHE A 87 -13.208 -0.469 -6.798 1.00 0.00 C ATOM 540 CD2 PHE A 87 -11.048 -1.390 -6.383 1.00 0.00 C ATOM 541 CE1 PHE A 87 -12.870 -0.266 -8.123 1.00 0.00 C ATOM 542 CE2 PHE A 87 -10.704 -1.190 -7.707 1.00 0.00 C ATOM 543 CZ PHE A 87 -11.616 -0.626 -8.577 1.00 0.00 C ATOM 0 H PHE A 87 -11.139 0.559 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.942 0.477 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.811 -1.659 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.461 -2.003 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.189 -0.185 -6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.331 -1.830 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -13.585 0.173 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.724 -1.474 -8.060 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.349 -0.467 -9.611 1.00 0.00 H new ATOM 553 N CYS A 88 -12.938 -1.144 -1.646 1.00 0.00 N ATOM 554 CA CYS A 88 -13.344 -1.556 -0.308 1.00 0.00 C ATOM 555 C CYS A 88 -13.373 -0.363 0.644 1.00 0.00 C ATOM 556 O CYS A 88 -14.086 -0.372 1.647 1.00 0.00 O ATOM 557 CB CYS A 88 -12.394 -2.628 0.229 1.00 0.00 C ATOM 558 SG CYS A 88 -10.797 -1.978 0.819 1.00 0.00 S ATOM 0 H CYS A 88 -12.046 -1.532 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.350 -1.971 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.884 -3.156 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.208 -3.360 -0.557 1.00 0.00 H new ATOM 563 N TYR A 89 -12.593 0.663 0.321 1.00 0.00 N ATOM 564 CA TYR A 89 -12.526 1.862 1.147 1.00 0.00 C ATOM 565 C TYR A 89 -12.049 1.527 2.557 1.00 0.00 C ATOM 566 O TYR A 89 -12.661 1.936 3.543 1.00 0.00 O ATOM 567 CB TYR A 89 -13.895 2.542 1.207 1.00 0.00 C ATOM 568 CG TYR A 89 -14.116 3.556 0.108 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.343 4.708 0.033 1.00 0.00 C ATOM 570 CD2 TYR A 89 -15.100 3.364 -0.854 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.542 5.638 -0.969 1.00 0.00 C ATOM 572 CE2 TYR A 89 -15.305 4.288 -1.860 1.00 0.00 C ATOM 573 CZ TYR A 89 -14.524 5.424 -1.913 1.00 0.00 C ATOM 574 OH TYR A 89 -14.726 6.347 -2.913 1.00 0.00 O ATOM 0 H TYR A 89 -11.998 0.688 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.808 2.545 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.673 1.780 1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -14.004 3.036 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.573 4.879 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.715 2.477 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.932 6.528 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.073 4.122 -2.601 1.00 0.00 H new ATOM 0 HH TYR A 89 -15.454 6.045 -3.495 1.00 0.00 H new ATOM 584 N GLN A 90 -10.953 0.781 2.642 1.00 0.00 N ATOM 585 CA GLN A 90 -10.394 0.390 3.931 1.00 0.00 C ATOM 586 C GLN A 90 -9.023 1.024 4.144 1.00 0.00 C ATOM 587 O GLN A 90 -8.119 0.862 3.324 1.00 0.00 O ATOM 588 CB GLN A 90 -10.284 -1.133 4.022 1.00 0.00 C ATOM 589 CG GLN A 90 -9.548 -1.616 5.261 1.00 0.00 C ATOM 590 CD GLN A 90 -10.235 -1.201 6.547 1.00 0.00 C ATOM 591 OE1 GLN A 90 -9.638 -0.538 7.397 1.00 0.00 O ATOM 592 NE2 GLN A 90 -11.496 -1.588 6.697 1.00 0.00 N ATOM 0 H GLN A 90 -10.434 0.435 1.835 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.065 0.746 4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.286 -1.563 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.770 -1.506 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.468 -2.703 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.532 -1.221 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.951 -2.136 5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.009 -1.337 7.542 1.00 0.00 H new ATOM 601 N ARG A 91 -8.877 1.748 5.249 1.00 0.00 N ATOM 602 CA ARG A 91 -7.617 2.408 5.569 1.00 0.00 C ATOM 603 C ARG A 91 -6.587 1.400 6.069 1.00 0.00 C ATOM 604 O ARG A 91 -6.772 0.773 7.111 1.00 0.00 O ATOM 605 CB ARG A 91 -7.839 3.493 6.625 1.00 0.00 C ATOM 606 CG ARG A 91 -8.357 4.802 6.053 1.00 0.00 C ATOM 607 CD ARG A 91 -8.000 5.980 6.947 1.00 0.00 C ATOM 608 NE ARG A 91 -6.711 6.567 6.591 1.00 0.00 N ATOM 609 CZ ARG A 91 -6.554 7.463 5.623 1.00 0.00 C ATOM 610 NH1 ARG A 91 -7.600 7.873 4.919 1.00 0.00 N ATOM 611 NH2 ARG A 91 -5.349 7.951 5.358 1.00 0.00 N ATOM 0 H ARG A 91 -9.616 1.892 5.938 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.236 2.869 4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.547 3.126 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.899 3.680 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.937 4.958 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.439 4.747 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.777 6.740 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.974 5.652 7.986 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.886 6.273 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.528 7.500 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.477 8.561 4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.542 7.638 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.230 8.639 4.614 1.00 0.00 H new ATOM 625 N ASN A 92 -5.501 1.249 5.318 1.00 0.00 N ATOM 626 CA ASN A 92 -4.441 0.316 5.684 1.00 0.00 C ATOM 627 C ASN A 92 -3.104 1.038 5.819 1.00 0.00 C ATOM 628 O ASN A 92 -2.930 2.143 5.307 1.00 0.00 O ATOM 629 CB ASN A 92 -4.330 -0.797 4.641 1.00 0.00 C ATOM 630 CG ASN A 92 -5.685 -1.332 4.219 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.365 -2.009 4.991 1.00 0.00 O ATOM 632 ND2 ASN A 92 -6.084 -1.030 2.989 1.00 0.00 N ATOM 0 H ASN A 92 -5.332 1.761 4.452 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.695 -0.124 6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.803 -0.419 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.731 -1.612 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.987 -1.362 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.488 -0.466 2.383 1.00 0.00 H new ATOM 639 N GLN A 93 -2.163 0.403 6.510 1.00 0.00 N ATOM 640 CA GLN A 93 -0.841 0.985 6.712 1.00 0.00 C ATOM 641 C GLN A 93 0.151 0.453 5.683 1.00 0.00 C ATOM 642 O GLN A 93 -0.024 -0.640 5.144 1.00 0.00 O ATOM 643 CB GLN A 93 -0.338 0.685 8.125 1.00 0.00 C ATOM 644 CG GLN A 93 -1.228 1.250 9.220 1.00 0.00 C ATOM 645 CD GLN A 93 -0.456 1.602 10.476 1.00 0.00 C ATOM 646 OE1 GLN A 93 0.052 0.723 11.174 1.00 0.00 O ATOM 647 NE2 GLN A 93 -0.362 2.893 10.772 1.00 0.00 N ATOM 0 H GLN A 93 -2.291 -0.513 6.939 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.924 2.064 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.260 -0.395 8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.667 1.093 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.734 2.141 8.848 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.002 0.523 9.466 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.798 3.588 10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.146 3.190 11.605 1.00 0.00 H new ATOM 656 N PHE A 94 1.193 1.233 5.414 1.00 0.00 N ATOM 657 CA PHE A 94 2.213 0.841 4.449 1.00 0.00 C ATOM 658 C PHE A 94 3.003 -0.364 4.952 1.00 0.00 C ATOM 659 O PHE A 94 3.145 -0.587 6.154 1.00 0.00 O ATOM 660 CB PHE A 94 3.161 2.009 4.174 1.00 0.00 C ATOM 661 CG PHE A 94 2.640 2.976 3.150 1.00 0.00 C ATOM 662 CD1 PHE A 94 1.372 3.521 3.274 1.00 0.00 C ATOM 663 CD2 PHE A 94 3.418 3.341 2.063 1.00 0.00 C ATOM 664 CE1 PHE A 94 0.890 4.411 2.333 1.00 0.00 C ATOM 665 CE2 PHE A 94 2.941 4.231 1.118 1.00 0.00 C ATOM 666 CZ PHE A 94 1.675 4.767 1.254 1.00 0.00 C ATOM 0 H PHE A 94 1.353 2.141 5.851 1.00 0.00 H new ATOM 0 HA PHE A 94 1.713 0.563 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.346 2.544 5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.120 1.616 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.753 3.247 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.409 2.925 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.100 4.828 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.557 4.507 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.300 5.463 0.518 1.00 0.00 H new ATOM 676 N PRO A 95 3.531 -1.160 4.010 1.00 0.00 N ATOM 677 CA PRO A 95 4.316 -2.355 4.332 1.00 0.00 C ATOM 678 C PRO A 95 5.672 -2.011 4.940 1.00 0.00 C ATOM 679 O PRO A 95 6.186 -0.903 4.784 1.00 0.00 O ATOM 680 CB PRO A 95 4.496 -3.038 2.974 1.00 0.00 C ATOM 681 CG PRO A 95 4.382 -1.936 1.978 1.00 0.00 C ATOM 682 CD PRO A 95 3.401 -0.954 2.557 1.00 0.00 C ATOM 0 HA PRO A 95 3.821 -2.980 5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.464 -3.535 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.734 -3.800 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.350 -1.465 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.035 -2.314 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.642 0.070 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.386 -1.149 2.212 1.00 0.00 H new ATOM 690 N PRO A 96 6.267 -2.982 5.649 1.00 0.00 N ATOM 691 CA PRO A 96 7.572 -2.805 6.293 1.00 0.00 C ATOM 692 C PRO A 96 8.709 -2.712 5.282 1.00 0.00 C ATOM 693 O PRO A 96 9.713 -2.040 5.523 1.00 0.00 O ATOM 694 CB PRO A 96 7.718 -4.066 7.148 1.00 0.00 C ATOM 695 CG PRO A 96 6.866 -5.084 6.472 1.00 0.00 C ATOM 696 CD PRO A 96 5.712 -4.327 5.876 1.00 0.00 C ATOM 0 HA PRO A 96 7.623 -1.878 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.757 -4.391 7.200 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.388 -3.890 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.426 -5.612 5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.516 -5.834 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.370 -4.782 4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.857 -4.300 6.552 1.00 0.00 H new ATOM 704 N SER A 97 8.546 -3.388 4.150 1.00 0.00 N ATOM 705 CA SER A 97 9.561 -3.384 3.103 1.00 0.00 C ATOM 706 C SER A 97 9.052 -2.669 1.855 1.00 0.00 C ATOM 707 O SER A 97 9.266 -3.126 0.733 1.00 0.00 O ATOM 708 CB SER A 97 9.969 -4.816 2.753 1.00 0.00 C ATOM 709 OG SER A 97 11.027 -4.829 1.809 1.00 0.00 O ATOM 0 H SER A 97 7.720 -3.946 3.934 1.00 0.00 H new ATOM 0 HA SER A 97 10.432 -2.847 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.278 -5.341 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.111 -5.354 2.350 1.00 0.00 H new ATOM 0 HG SER A 97 10.794 -4.256 1.049 1.00 0.00 H new ATOM 715 N TYR A 98 8.378 -1.543 2.061 1.00 0.00 N ATOM 716 CA TYR A 98 7.836 -0.764 0.954 1.00 0.00 C ATOM 717 C TYR A 98 8.955 -0.216 0.073 1.00 0.00 C ATOM 718 O TYR A 98 8.888 -0.290 -1.153 1.00 0.00 O ATOM 719 CB TYR A 98 6.979 0.387 1.484 1.00 0.00 C ATOM 720 CG TYR A 98 7.767 1.642 1.781 1.00 0.00 C ATOM 721 CD1 TYR A 98 8.509 1.760 2.950 1.00 0.00 C ATOM 722 CD2 TYR A 98 7.771 2.711 0.893 1.00 0.00 C ATOM 723 CE1 TYR A 98 9.230 2.905 3.226 1.00 0.00 C ATOM 724 CE2 TYR A 98 8.490 3.859 1.160 1.00 0.00 C ATOM 725 CZ TYR A 98 9.219 3.952 2.328 1.00 0.00 C ATOM 726 OH TYR A 98 9.936 5.095 2.598 1.00 0.00 O ATOM 0 H TYR A 98 8.194 -1.149 2.984 1.00 0.00 H new ATOM 0 HA TYR A 98 7.213 -1.424 0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.205 0.619 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.472 0.063 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.522 0.942 3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.202 2.643 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.800 2.980 4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.482 4.680 0.458 1.00 0.00 H new ATOM 0 HH TYR A 98 9.822 5.734 1.864 1.00 0.00 H new ATOM 736 N ALA A 99 9.984 0.334 0.710 1.00 0.00 N ATOM 737 CA ALA A 99 11.119 0.892 -0.013 1.00 0.00 C ATOM 738 C ALA A 99 11.525 -0.006 -1.177 1.00 0.00 C ATOM 739 O ALA A 99 11.575 -1.228 -1.042 1.00 0.00 O ATOM 740 CB ALA A 99 12.295 1.101 0.930 1.00 0.00 C ATOM 0 H ALA A 99 10.054 0.405 1.725 1.00 0.00 H new ATOM 0 HA ALA A 99 10.818 1.857 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.136 1.518 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.006 1.789 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.586 0.145 1.366 1.00 0.00 H new ATOM 746 N GLY A 100 11.813 0.607 -2.321 1.00 0.00 N ATOM 747 CA GLY A 100 12.209 -0.153 -3.491 1.00 0.00 C ATOM 748 C GLY A 100 11.127 -0.192 -4.552 1.00 0.00 C ATOM 749 O GLY A 100 11.357 0.198 -5.697 1.00 0.00 O ATOM 0 H GLY A 100 11.779 1.617 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.113 0.284 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.457 -1.171 -3.192 1.00 0.00 H new ATOM 753 N ILE A 101 9.944 -0.663 -4.171 1.00 0.00 N ATOM 754 CA ILE A 101 8.823 -0.752 -5.098 1.00 0.00 C ATOM 755 C ILE A 101 8.749 0.482 -5.991 1.00 0.00 C ATOM 756 O ILE A 101 8.737 1.613 -5.504 1.00 0.00 O ATOM 757 CB ILE A 101 7.486 -0.911 -4.351 1.00 0.00 C ATOM 758 CG1 ILE A 101 7.506 -2.175 -3.489 1.00 0.00 C ATOM 759 CG2 ILE A 101 6.329 -0.956 -5.338 1.00 0.00 C ATOM 760 CD1 ILE A 101 6.384 -2.235 -2.477 1.00 0.00 C ATOM 0 H ILE A 101 9.737 -0.989 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 101 8.993 -1.635 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 101 7.348 -0.049 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.446 -3.048 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.460 -2.232 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.391 -1.069 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.306 -0.031 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.460 -1.801 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.462 -3.158 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.455 -1.381 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.425 -2.210 -2.995 1.00 0.00 H new ATOM 772 N SER A 102 8.699 0.257 -7.300 1.00 0.00 N ATOM 773 CA SER A 102 8.629 1.351 -8.262 1.00 0.00 C ATOM 774 C SER A 102 7.494 2.309 -7.912 1.00 0.00 C ATOM 775 O SER A 102 7.716 3.503 -7.712 1.00 0.00 O ATOM 776 CB SER A 102 8.430 0.802 -9.676 1.00 0.00 C ATOM 777 OG SER A 102 9.586 0.113 -10.122 1.00 0.00 O ATOM 0 H SER A 102 8.706 -0.673 -7.719 1.00 0.00 H new ATOM 0 HA SER A 102 9.570 1.899 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.573 0.129 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.204 1.621 -10.359 1.00 0.00 H new ATOM 0 HG SER A 102 9.434 -0.230 -11.027 1.00 0.00 H new ATOM 783 N GLU A 103 6.279 1.776 -7.840 1.00 0.00 N ATOM 784 CA GLU A 103 5.109 2.584 -7.516 1.00 0.00 C ATOM 785 C GLU A 103 5.383 3.479 -6.311 1.00 0.00 C ATOM 786 O GLU A 103 4.910 4.614 -6.245 1.00 0.00 O ATOM 787 CB GLU A 103 3.903 1.686 -7.234 1.00 0.00 C ATOM 788 CG GLU A 103 2.640 2.454 -6.884 1.00 0.00 C ATOM 789 CD GLU A 103 2.378 3.609 -7.831 1.00 0.00 C ATOM 790 OE1 GLU A 103 2.394 3.383 -9.059 1.00 0.00 O ATOM 791 OE2 GLU A 103 2.158 4.738 -7.345 1.00 0.00 O ATOM 0 H GLU A 103 6.079 0.789 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 103 4.888 3.217 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.710 1.066 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.147 1.012 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.789 1.774 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.721 2.835 -5.866 1.00 0.00 H new ATOM 798 N LEU A 104 6.150 2.960 -5.358 1.00 0.00 N ATOM 799 CA LEU A 104 6.488 3.711 -4.154 1.00 0.00 C ATOM 800 C LEU A 104 7.704 4.602 -4.391 1.00 0.00 C ATOM 801 O LEU A 104 8.605 4.673 -3.557 1.00 0.00 O ATOM 802 CB LEU A 104 6.762 2.753 -2.993 1.00 0.00 C ATOM 803 CG LEU A 104 5.531 2.205 -2.271 1.00 0.00 C ATOM 804 CD1 LEU A 104 4.771 3.328 -1.582 1.00 0.00 C ATOM 805 CD2 LEU A 104 4.626 1.466 -3.246 1.00 0.00 C ATOM 0 H LEU A 104 6.549 2.022 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 104 5.639 4.346 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.341 1.911 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.387 3.267 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 104 5.865 1.500 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.898 2.918 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.421 3.813 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.449 4.058 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.755 1.083 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.301 2.150 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.173 0.636 -3.692 1.00 0.00 H new ATOM 817 N ASN A 105 7.719 5.281 -5.533 1.00 0.00 N ATOM 818 CA ASN A 105 8.823 6.169 -5.879 1.00 0.00 C ATOM 819 C ASN A 105 8.454 7.060 -7.061 1.00 0.00 C ATOM 820 O ASN A 105 7.970 6.580 -8.085 1.00 0.00 O ATOM 821 CB ASN A 105 10.075 5.355 -6.211 1.00 0.00 C ATOM 822 CG ASN A 105 11.354 6.123 -5.936 1.00 0.00 C ATOM 823 OD1 ASN A 105 12.117 6.429 -6.853 1.00 0.00 O ATOM 824 ND2 ASN A 105 11.594 6.439 -4.669 1.00 0.00 N ATOM 0 H ASN A 105 6.980 5.234 -6.234 1.00 0.00 H new ATOM 0 HA ASN A 105 9.029 6.805 -5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.073 4.436 -5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.048 5.064 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.438 6.956 -4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.934 6.165 -3.941 1.00 0.00 H new ATOM 831 N GLN A 106 8.688 8.360 -6.911 1.00 0.00 N ATOM 832 CA GLN A 106 8.380 9.318 -7.966 1.00 0.00 C ATOM 833 C GLN A 106 9.013 8.895 -9.287 1.00 0.00 C ATOM 834 O GLN A 106 10.042 8.220 -9.322 1.00 0.00 O ATOM 835 CB GLN A 106 8.870 10.714 -7.576 1.00 0.00 C ATOM 836 CG GLN A 106 10.385 10.829 -7.506 1.00 0.00 C ATOM 837 CD GLN A 106 10.842 12.118 -6.854 1.00 0.00 C ATOM 838 OE1 GLN A 106 10.645 13.206 -7.397 1.00 0.00 O ATOM 839 NE2 GLN A 106 11.458 12.004 -5.683 1.00 0.00 N ATOM 0 H GLN A 106 9.090 8.774 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 106 7.298 9.343 -8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.492 11.438 -8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.448 10.981 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.785 9.982 -6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.797 10.770 -8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.600 11.083 -5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.789 12.838 -5.197 1.00 0.00 H new ATOM 848 N PRO A 107 8.384 9.299 -10.401 1.00 0.00 N ATOM 849 CA PRO A 107 8.868 8.972 -11.746 1.00 0.00 C ATOM 850 C PRO A 107 10.160 9.706 -12.091 1.00 0.00 C ATOM 851 O PRO A 107 10.436 10.780 -11.556 1.00 0.00 O ATOM 852 CB PRO A 107 7.729 9.438 -12.656 1.00 0.00 C ATOM 853 CG PRO A 107 7.035 10.503 -11.879 1.00 0.00 C ATOM 854 CD PRO A 107 7.153 10.105 -10.434 1.00 0.00 C ATOM 0 HA PRO A 107 9.107 7.913 -11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 107 8.110 9.823 -13.602 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.052 8.618 -12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.494 11.476 -12.054 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.990 10.585 -12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.225 10.976 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.288 9.530 -10.104 1.00 0.00 H new ATOM 862 N ALA A 108 10.947 9.120 -12.987 1.00 0.00 N ATOM 863 CA ALA A 108 12.208 9.720 -13.405 1.00 0.00 C ATOM 864 C ALA A 108 12.055 11.221 -13.625 1.00 0.00 C ATOM 865 O ALA A 108 12.863 11.842 -14.315 1.00 0.00 O ATOM 866 CB ALA A 108 12.718 9.048 -14.671 1.00 0.00 C ATOM 0 H ALA A 108 10.734 8.230 -13.438 1.00 0.00 H new ATOM 0 HA ALA A 108 12.936 9.569 -12.608 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.660 9.506 -14.972 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.875 7.986 -14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.985 9.170 -15.468 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.327 -2.667 -0.882 1.00 0.00 ZN