USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HE2:sc= -4.83! X(o=-6.2!,f=-6.3) USER MOD Set 1.2: A 49 TYR OH : rot 169:sc= -1.32 USER MOD Set 2.1: A 15 SER OG : rot -179:sc= -0.351 USER MOD Set 2.2: A 36 ASN : amide:sc= -2.64 K(o=-3,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.04 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.404 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00557 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 1:sc= 0.568 USER MOD Single : A 26 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 28 CYS SG : rot 12:sc= 0.457 USER MOD Single : A 37 SER OG : rot -176:sc= -4.82! USER MOD Single : A 38 ASN : amide:sc= -4.35 K(o=-4.4,f=-8!) USER MOD Single : A 43 LYS NZ :NH3+ -110:sc= 0.989 (180deg=-2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.32) USER MOD Single : A 47 SER OG : rot -50:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.818 K(o=-0.82,f=-0.14) USER MOD Single : A 52 CYS SG : rot 130:sc= -0.117 USER MOD Single : A 53 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot -48:sc= 0.705 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.909 K(o=-0.91,f=-0.0051) USER MOD Single : A 81 SER OG : rot 57:sc= 0.438 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 43:sc= 0.837 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 41:sc= 0.712 USER MOD Single : A 94 SER OG : rot 40:sc= 1.06 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.482 2.002 24.927 1.00 0.00 N ATOM 2 CA GLY A 1 -8.006 0.913 25.763 1.00 0.00 C ATOM 3 C GLY A 1 -7.313 -0.161 24.922 1.00 0.00 C ATOM 4 O GLY A 1 -6.698 0.146 23.901 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.195 2.911 25.344 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.073 1.913 23.975 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.519 1.963 24.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.312 1.299 26.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.843 0.472 26.304 1.00 0.00 H new ATOM 8 N SER A 2 -7.435 -1.397 25.382 1.00 0.00 N ATOM 9 CA SER A 2 -6.827 -2.518 24.685 1.00 0.00 C ATOM 10 C SER A 2 -7.631 -2.849 23.425 1.00 0.00 C ATOM 11 O SER A 2 -8.765 -3.317 23.513 1.00 0.00 O ATOM 12 CB SER A 2 -6.734 -3.746 25.593 1.00 0.00 C ATOM 13 OG SER A 2 -8.002 -4.106 26.135 1.00 0.00 O ATOM 0 H SER A 2 -7.946 -1.647 26.229 1.00 0.00 H new ATOM 0 HA SER A 2 -5.814 -2.234 24.398 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.330 -4.586 25.027 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.036 -3.544 26.406 1.00 0.00 H new ATOM 0 HG SER A 2 -8.691 -4.015 25.444 1.00 0.00 H new ATOM 19 N SER A 3 -7.012 -2.592 22.283 1.00 0.00 N ATOM 20 CA SER A 3 -7.655 -2.856 21.007 1.00 0.00 C ATOM 21 C SER A 3 -8.943 -2.038 20.891 1.00 0.00 C ATOM 22 O SER A 3 -9.863 -2.205 21.690 1.00 0.00 O ATOM 23 CB SER A 3 -7.956 -4.347 20.840 1.00 0.00 C ATOM 24 OG SER A 3 -7.397 -4.874 19.640 1.00 0.00 O ATOM 0 H SER A 3 -6.071 -2.203 22.214 1.00 0.00 H new ATOM 0 HA SER A 3 -6.971 -2.560 20.212 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.560 -4.895 21.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.035 -4.501 20.835 1.00 0.00 H new ATOM 0 HG SER A 3 -7.610 -5.828 19.571 1.00 0.00 H new ATOM 30 N GLY A 4 -8.968 -1.171 19.889 1.00 0.00 N ATOM 31 CA GLY A 4 -10.128 -0.327 19.658 1.00 0.00 C ATOM 32 C GLY A 4 -10.963 -0.852 18.489 1.00 0.00 C ATOM 33 O GLY A 4 -10.461 -0.985 17.373 1.00 0.00 O ATOM 0 H GLY A 4 -8.203 -1.035 19.228 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.740 -0.289 20.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.805 0.693 19.450 1.00 0.00 H new ATOM 37 N SER A 5 -12.223 -1.135 18.783 1.00 0.00 N ATOM 38 CA SER A 5 -13.133 -1.641 17.770 1.00 0.00 C ATOM 39 C SER A 5 -13.716 -0.480 16.962 1.00 0.00 C ATOM 40 O SER A 5 -13.580 -0.439 15.740 1.00 0.00 O ATOM 41 CB SER A 5 -14.257 -2.465 18.401 1.00 0.00 C ATOM 42 OG SER A 5 -14.851 -1.796 19.511 1.00 0.00 O ATOM 0 H SER A 5 -12.636 -1.023 19.709 1.00 0.00 H new ATOM 0 HA SER A 5 -12.571 -2.294 17.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.021 -2.671 17.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.862 -3.427 18.727 1.00 0.00 H new ATOM 0 HG SER A 5 -15.565 -2.353 19.885 1.00 0.00 H new ATOM 48 N SER A 6 -14.352 0.436 17.677 1.00 0.00 N ATOM 49 CA SER A 6 -14.956 1.595 17.042 1.00 0.00 C ATOM 50 C SER A 6 -14.407 2.879 17.666 1.00 0.00 C ATOM 51 O SER A 6 -14.089 2.910 18.854 1.00 0.00 O ATOM 52 CB SER A 6 -16.481 1.557 17.162 1.00 0.00 C ATOM 53 OG SER A 6 -17.079 2.786 16.760 1.00 0.00 O ATOM 0 H SER A 6 -14.462 0.399 18.690 1.00 0.00 H new ATOM 0 HA SER A 6 -14.701 1.575 15.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.873 0.746 16.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.758 1.339 18.193 1.00 0.00 H new ATOM 0 HG SER A 6 -18.053 2.721 16.850 1.00 0.00 H new ATOM 59 N GLY A 7 -14.311 3.909 16.837 1.00 0.00 N ATOM 60 CA GLY A 7 -13.806 5.192 17.293 1.00 0.00 C ATOM 61 C GLY A 7 -14.015 6.273 16.230 1.00 0.00 C ATOM 62 O GLY A 7 -13.089 6.614 15.496 1.00 0.00 O ATOM 0 H GLY A 7 -14.575 3.880 15.852 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.313 5.480 18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.745 5.107 17.527 1.00 0.00 H new ATOM 66 N VAL A 8 -15.238 6.781 16.181 1.00 0.00 N ATOM 67 CA VAL A 8 -15.580 7.815 15.220 1.00 0.00 C ATOM 68 C VAL A 8 -15.582 9.176 15.921 1.00 0.00 C ATOM 69 O VAL A 8 -16.084 9.303 17.036 1.00 0.00 O ATOM 70 CB VAL A 8 -16.916 7.486 14.550 1.00 0.00 C ATOM 71 CG1 VAL A 8 -18.047 7.436 15.579 1.00 0.00 C ATOM 72 CG2 VAL A 8 -17.232 8.486 13.436 1.00 0.00 C ATOM 0 H VAL A 8 -16.004 6.496 16.791 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.835 7.859 14.425 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.830 6.498 14.098 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.985 7.200 15.077 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.830 6.668 16.321 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.133 8.404 16.073 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.186 8.229 12.977 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.289 9.491 13.855 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.446 8.451 12.682 1.00 0.00 H new ATOM 82 N SER A 9 -15.014 10.158 15.237 1.00 0.00 N ATOM 83 CA SER A 9 -14.944 11.504 15.779 1.00 0.00 C ATOM 84 C SER A 9 -14.052 11.522 17.022 1.00 0.00 C ATOM 85 O SER A 9 -13.795 10.478 17.621 1.00 0.00 O ATOM 86 CB SER A 9 -16.338 12.035 16.119 1.00 0.00 C ATOM 87 OG SER A 9 -16.538 13.360 15.636 1.00 0.00 O ATOM 0 H SER A 9 -14.598 10.048 14.312 1.00 0.00 H new ATOM 0 HA SER A 9 -14.512 12.156 15.020 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.092 11.375 15.689 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.478 12.018 17.200 1.00 0.00 H new ATOM 0 HG SER A 9 -17.440 13.662 15.872 1.00 0.00 H new ATOM 93 N GLY A 10 -13.604 12.718 17.373 1.00 0.00 N ATOM 94 CA GLY A 10 -12.746 12.885 18.534 1.00 0.00 C ATOM 95 C GLY A 10 -11.281 12.630 18.174 1.00 0.00 C ATOM 96 O GLY A 10 -10.947 12.455 17.003 1.00 0.00 O ATOM 0 H GLY A 10 -13.819 13.581 16.874 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.856 13.894 18.930 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.056 12.198 19.321 1.00 0.00 H new ATOM 100 N ARG A 11 -10.446 12.616 19.203 1.00 0.00 N ATOM 101 CA ARG A 11 -9.024 12.385 19.010 1.00 0.00 C ATOM 102 C ARG A 11 -8.732 10.884 18.959 1.00 0.00 C ATOM 103 O ARG A 11 -8.159 10.392 17.988 1.00 0.00 O ATOM 104 CB ARG A 11 -8.205 13.020 20.136 1.00 0.00 C ATOM 105 CG ARG A 11 -7.574 14.336 19.680 1.00 0.00 C ATOM 106 CD ARG A 11 -6.320 14.655 20.497 1.00 0.00 C ATOM 107 NE ARG A 11 -6.208 16.116 20.704 1.00 0.00 N ATOM 108 CZ ARG A 11 -5.061 16.749 20.984 1.00 0.00 C ATOM 109 NH1 ARG A 11 -3.921 16.054 21.093 1.00 0.00 N ATOM 110 NH2 ARG A 11 -5.054 18.078 21.156 1.00 0.00 N ATOM 0 H ARG A 11 -10.727 12.761 20.173 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.738 12.846 18.064 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.845 13.200 20.999 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.424 12.330 20.456 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.317 14.273 18.623 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.296 15.145 19.785 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.364 14.145 21.460 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.435 14.284 19.980 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.057 16.676 20.629 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.926 15.042 20.963 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.048 16.536 21.306 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.922 18.607 21.074 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.181 18.560 21.369 1.00 0.00 H new ATOM 124 N GLU A 12 -9.140 10.199 20.017 1.00 0.00 N ATOM 125 CA GLU A 12 -8.929 8.764 20.105 1.00 0.00 C ATOM 126 C GLU A 12 -7.448 8.431 19.908 1.00 0.00 C ATOM 127 O GLU A 12 -6.700 9.227 19.343 1.00 0.00 O ATOM 128 CB GLU A 12 -9.798 8.018 19.090 1.00 0.00 C ATOM 129 CG GLU A 12 -9.194 8.101 17.686 1.00 0.00 C ATOM 130 CD GLU A 12 -9.514 6.842 16.877 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.683 6.403 16.949 1.00 0.00 O ATOM 132 OE2 GLU A 12 -8.584 6.347 16.206 1.00 0.00 O ATOM 0 H GLU A 12 -9.615 10.611 20.820 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.226 8.434 21.100 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.895 6.974 19.387 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.802 8.442 19.084 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.584 8.978 17.170 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.114 8.227 17.758 1.00 0.00 H new ATOM 139 N PRO A 13 -7.060 7.224 20.397 1.00 0.00 N ATOM 140 CA PRO A 13 -5.683 6.776 20.280 1.00 0.00 C ATOM 141 C PRO A 13 -5.369 6.336 18.849 1.00 0.00 C ATOM 142 O PRO A 13 -5.530 5.166 18.506 1.00 0.00 O ATOM 143 CB PRO A 13 -5.548 5.649 21.292 1.00 0.00 C ATOM 144 CG PRO A 13 -6.965 5.198 21.604 1.00 0.00 C ATOM 145 CD PRO A 13 -7.919 6.255 21.072 1.00 0.00 C ATOM 0 HA PRO A 13 -4.964 7.568 20.488 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.957 4.828 20.886 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.040 5.992 22.193 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.169 4.232 21.141 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.097 5.071 22.678 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.645 5.823 20.384 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.484 6.721 21.879 1.00 0.00 H new ATOM 153 N SER A 14 -4.926 7.297 18.052 1.00 0.00 N ATOM 154 CA SER A 14 -4.587 7.023 16.666 1.00 0.00 C ATOM 155 C SER A 14 -3.141 6.535 16.567 1.00 0.00 C ATOM 156 O SER A 14 -2.244 7.112 17.180 1.00 0.00 O ATOM 157 CB SER A 14 -4.790 8.264 15.794 1.00 0.00 C ATOM 158 OG SER A 14 -5.078 7.924 14.440 1.00 0.00 O ATOM 0 H SER A 14 -4.794 8.267 18.340 1.00 0.00 H new ATOM 0 HA SER A 14 -5.253 6.242 16.299 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.606 8.862 16.199 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.893 8.883 15.830 1.00 0.00 H new ATOM 0 HG SER A 14 -5.203 8.743 13.916 1.00 0.00 H new ATOM 164 N SER A 15 -2.958 5.478 15.789 1.00 0.00 N ATOM 165 CA SER A 15 -1.636 4.907 15.601 1.00 0.00 C ATOM 166 C SER A 15 -0.658 5.990 15.141 1.00 0.00 C ATOM 167 O SER A 15 -1.063 7.114 14.851 1.00 0.00 O ATOM 168 CB SER A 15 -1.670 3.758 14.591 1.00 0.00 C ATOM 169 OG SER A 15 -2.278 2.589 15.133 1.00 0.00 O ATOM 0 H SER A 15 -3.704 5.002 15.282 1.00 0.00 H new ATOM 0 HA SER A 15 -1.299 4.505 16.556 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.217 4.072 13.702 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.654 3.524 14.273 1.00 0.00 H new ATOM 0 HG SER A 15 -2.267 1.874 14.463 1.00 0.00 H new ATOM 175 N ARG A 16 0.611 5.612 15.087 1.00 0.00 N ATOM 176 CA ARG A 16 1.650 6.537 14.667 1.00 0.00 C ATOM 177 C ARG A 16 1.894 6.413 13.161 1.00 0.00 C ATOM 178 O ARG A 16 2.259 5.344 12.674 1.00 0.00 O ATOM 179 CB ARG A 16 2.959 6.272 15.412 1.00 0.00 C ATOM 180 CG ARG A 16 3.270 7.403 16.394 1.00 0.00 C ATOM 181 CD ARG A 16 4.527 8.166 15.971 1.00 0.00 C ATOM 182 NE ARG A 16 5.365 8.457 17.156 1.00 0.00 N ATOM 183 CZ ARG A 16 4.982 9.242 18.172 1.00 0.00 C ATOM 184 NH1 ARG A 16 3.772 9.819 18.154 1.00 0.00 N ATOM 185 NH2 ARG A 16 5.808 9.450 19.206 1.00 0.00 N ATOM 0 H ARG A 16 0.943 4.678 15.327 1.00 0.00 H new ATOM 0 HA ARG A 16 1.310 7.546 14.902 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.890 5.327 15.950 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.775 6.172 14.696 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.424 8.088 16.445 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.408 6.993 17.394 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.094 7.578 15.250 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.248 9.096 15.475 1.00 0.00 H new ATOM 0 HE ARG A 16 6.292 8.034 17.202 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.143 9.660 17.367 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.480 10.417 18.927 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.728 9.011 19.220 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.516 10.048 19.979 1.00 0.00 H new ATOM 199 N ILE A 17 1.682 7.520 12.466 1.00 0.00 N ATOM 200 CA ILE A 17 1.875 7.548 11.026 1.00 0.00 C ATOM 201 C ILE A 17 3.371 7.639 10.717 1.00 0.00 C ATOM 202 O ILE A 17 4.125 8.261 11.464 1.00 0.00 O ATOM 203 CB ILE A 17 1.048 8.671 10.397 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.383 8.669 10.939 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.082 8.588 8.869 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.190 7.509 10.352 1.00 0.00 C ATOM 0 H ILE A 17 1.378 8.405 12.873 1.00 0.00 H new ATOM 0 HA ILE A 17 1.512 6.624 10.575 1.00 0.00 H new ATOM 0 HB ILE A 17 1.497 9.624 10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.364 8.590 12.026 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.869 9.614 10.697 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.486 9.398 8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.112 8.677 8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.672 7.631 8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.203 7.531 10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.228 7.604 9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.715 6.564 10.617 1.00 0.00 H new ATOM 218 N ILE A 18 3.754 7.010 9.617 1.00 0.00 N ATOM 219 CA ILE A 18 5.146 7.012 9.200 1.00 0.00 C ATOM 220 C ILE A 18 5.232 7.398 7.722 1.00 0.00 C ATOM 221 O ILE A 18 4.267 7.234 6.977 1.00 0.00 O ATOM 222 CB ILE A 18 5.804 5.669 9.524 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.972 4.506 8.979 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.066 5.533 11.025 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.823 3.241 8.840 1.00 0.00 C ATOM 0 H ILE A 18 3.125 6.495 9.001 1.00 0.00 H new ATOM 0 HA ILE A 18 5.709 7.760 9.758 1.00 0.00 H new ATOM 0 HB ILE A 18 6.773 5.634 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.131 4.312 9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.554 4.776 8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.534 4.569 11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.729 6.334 11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.122 5.598 11.566 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.208 2.430 8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.649 3.431 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.219 2.960 9.816 1.00 0.00 H new ATOM 237 N ARG A 19 6.395 7.905 7.342 1.00 0.00 N ATOM 238 CA ARG A 19 6.619 8.316 5.967 1.00 0.00 C ATOM 239 C ARG A 19 7.270 7.182 5.173 1.00 0.00 C ATOM 240 O ARG A 19 8.469 6.938 5.300 1.00 0.00 O ATOM 241 CB ARG A 19 7.515 9.555 5.901 1.00 0.00 C ATOM 242 CG ARG A 19 7.711 10.014 4.455 1.00 0.00 C ATOM 243 CD ARG A 19 8.555 11.288 4.393 1.00 0.00 C ATOM 244 NE ARG A 19 9.994 10.942 4.389 1.00 0.00 N ATOM 245 CZ ARG A 19 10.724 10.749 5.496 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.154 10.868 6.703 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.024 10.438 5.396 1.00 0.00 N ATOM 0 H ARG A 19 7.193 8.041 7.963 1.00 0.00 H new ATOM 0 HA ARG A 19 5.650 8.559 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.071 10.361 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.483 9.332 6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.196 9.224 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.741 10.194 3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.306 11.855 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.328 11.926 5.247 1.00 0.00 H new ATOM 0 HE ARG A 19 10.459 10.844 3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.165 11.105 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.709 10.721 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.458 10.348 4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.580 10.291 6.239 1.00 0.00 H new ATOM 261 N VAL A 20 6.451 6.518 4.371 1.00 0.00 N ATOM 262 CA VAL A 20 6.932 5.415 3.556 1.00 0.00 C ATOM 263 C VAL A 20 7.074 5.882 2.106 1.00 0.00 C ATOM 264 O VAL A 20 6.094 6.284 1.481 1.00 0.00 O ATOM 265 CB VAL A 20 6.002 4.209 3.707 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.458 3.051 2.817 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.907 3.770 5.170 1.00 0.00 C ATOM 0 H VAL A 20 5.457 6.722 4.268 1.00 0.00 H new ATOM 0 HA VAL A 20 7.918 5.093 3.892 1.00 0.00 H new ATOM 0 HB VAL A 20 5.006 4.511 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.780 2.207 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.452 3.369 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.467 2.751 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.240 2.911 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.898 3.495 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.516 4.590 5.771 1.00 0.00 H new ATOM 277 N SER A 21 8.302 5.812 1.614 1.00 0.00 N ATOM 278 CA SER A 21 8.585 6.223 0.249 1.00 0.00 C ATOM 279 C SER A 21 8.082 5.162 -0.732 1.00 0.00 C ATOM 280 O SER A 21 8.604 4.049 -0.769 1.00 0.00 O ATOM 281 CB SER A 21 10.082 6.466 0.046 1.00 0.00 C ATOM 282 OG SER A 21 10.460 7.794 0.399 1.00 0.00 O ATOM 0 H SER A 21 9.112 5.477 2.136 1.00 0.00 H new ATOM 0 HA SER A 21 8.063 7.161 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.649 5.756 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.341 6.280 -0.996 1.00 0.00 H new ATOM 0 HG SER A 21 11.423 7.909 0.257 1.00 0.00 H new ATOM 288 N VAL A 22 7.074 5.544 -1.502 1.00 0.00 N ATOM 289 CA VAL A 22 6.495 4.639 -2.480 1.00 0.00 C ATOM 290 C VAL A 22 7.207 4.822 -3.822 1.00 0.00 C ATOM 291 O VAL A 22 7.237 5.924 -4.368 1.00 0.00 O ATOM 292 CB VAL A 22 4.984 4.863 -2.570 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.397 4.158 -3.794 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.285 4.407 -1.287 1.00 0.00 C ATOM 0 H VAL A 22 6.643 6.468 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 22 6.639 3.603 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 22 4.810 5.933 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.322 4.333 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.863 4.550 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.588 3.087 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.212 4.577 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.472 3.345 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.672 4.974 -0.440 1.00 0.00 H new ATOM 304 N LYS A 23 7.762 3.725 -4.316 1.00 0.00 N ATOM 305 CA LYS A 23 8.472 3.751 -5.583 1.00 0.00 C ATOM 306 C LYS A 23 7.554 3.223 -6.688 1.00 0.00 C ATOM 307 O LYS A 23 7.128 2.070 -6.647 1.00 0.00 O ATOM 308 CB LYS A 23 9.797 2.994 -5.471 1.00 0.00 C ATOM 309 CG LYS A 23 10.912 3.728 -6.219 1.00 0.00 C ATOM 310 CD LYS A 23 11.482 4.868 -5.373 1.00 0.00 C ATOM 311 CE LYS A 23 12.791 4.449 -4.700 1.00 0.00 C ATOM 312 NZ LYS A 23 13.320 5.551 -3.866 1.00 0.00 N ATOM 0 H LYS A 23 7.734 2.812 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 23 8.738 4.774 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.070 2.884 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.682 1.989 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.707 3.027 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.525 4.125 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.655 5.741 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.756 5.161 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.623 3.566 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.525 4.174 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.208 5.250 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.499 6.383 -4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.625 5.795 -3.131 1.00 0.00 H new ATOM 326 N THR A 24 7.276 4.092 -7.648 1.00 0.00 N ATOM 327 CA THR A 24 6.417 3.727 -8.762 1.00 0.00 C ATOM 328 C THR A 24 7.220 3.680 -10.063 1.00 0.00 C ATOM 329 O THR A 24 8.269 4.312 -10.172 1.00 0.00 O ATOM 330 CB THR A 24 5.251 4.718 -8.803 1.00 0.00 C ATOM 331 OG1 THR A 24 5.871 5.972 -9.077 1.00 0.00 O ATOM 332 CG2 THR A 24 4.601 4.915 -7.432 1.00 0.00 C ATOM 0 H THR A 24 7.630 5.048 -7.678 1.00 0.00 H new ATOM 0 HA THR A 24 6.008 2.725 -8.634 1.00 0.00 H new ATOM 0 HB THR A 24 4.502 4.367 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.838 5.845 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.780 5.627 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.217 3.961 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.342 5.298 -6.730 1.00 0.00 H new ATOM 340 N PRO A 25 6.683 2.904 -11.042 1.00 0.00 N ATOM 341 CA PRO A 25 7.339 2.765 -12.331 1.00 0.00 C ATOM 342 C PRO A 25 7.152 4.025 -13.179 1.00 0.00 C ATOM 343 O PRO A 25 6.461 3.995 -14.196 1.00 0.00 O ATOM 344 CB PRO A 25 6.716 1.529 -12.958 1.00 0.00 C ATOM 345 CG PRO A 25 5.416 1.291 -12.208 1.00 0.00 C ATOM 346 CD PRO A 25 5.443 2.140 -10.948 1.00 0.00 C ATOM 0 HA PRO A 25 8.419 2.649 -12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.531 1.682 -14.021 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.380 0.669 -12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.562 1.558 -12.830 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.309 0.236 -11.955 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.576 2.798 -10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.427 1.519 -10.052 1.00 0.00 H new ATOM 354 N GLN A 26 7.780 5.101 -12.729 1.00 0.00 N ATOM 355 CA GLN A 26 7.691 6.369 -13.434 1.00 0.00 C ATOM 356 C GLN A 26 8.279 7.494 -12.579 1.00 0.00 C ATOM 357 O GLN A 26 9.087 8.286 -13.060 1.00 0.00 O ATOM 358 CB GLN A 26 6.246 6.677 -13.828 1.00 0.00 C ATOM 359 CG GLN A 26 6.101 6.778 -15.348 1.00 0.00 C ATOM 360 CD GLN A 26 4.689 7.221 -15.737 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.227 8.293 -15.381 1.00 0.00 O ATOM 362 NE2 GLN A 26 4.032 6.339 -16.484 1.00 0.00 N ATOM 0 H GLN A 26 8.353 5.121 -11.885 1.00 0.00 H new ATOM 0 HA GLN A 26 8.274 6.294 -14.352 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.587 5.896 -13.447 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.931 7.613 -13.366 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.829 7.488 -15.740 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.321 5.812 -15.803 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.478 5.460 -16.746 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.082 6.541 -16.795 1.00 0.00 H new ATOM 371 N ASP A 27 7.849 7.527 -11.327 1.00 0.00 N ATOM 372 CA ASP A 27 8.322 8.542 -10.400 1.00 0.00 C ATOM 373 C ASP A 27 8.339 7.965 -8.984 1.00 0.00 C ATOM 374 O ASP A 27 8.128 6.768 -8.794 1.00 0.00 O ATOM 375 CB ASP A 27 7.399 9.763 -10.402 1.00 0.00 C ATOM 376 CG ASP A 27 8.114 11.114 -10.335 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.321 11.134 -10.657 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.436 12.096 -9.962 1.00 0.00 O ATOM 0 H ASP A 27 7.178 6.868 -10.932 1.00 0.00 H new ATOM 0 HA ASP A 27 9.321 8.845 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.788 9.736 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.718 9.687 -9.554 1.00 0.00 H new ATOM 383 N CYS A 28 8.594 8.843 -8.024 1.00 0.00 N ATOM 384 CA CYS A 28 8.642 8.435 -6.630 1.00 0.00 C ATOM 385 C CYS A 28 7.709 9.347 -5.831 1.00 0.00 C ATOM 386 O CYS A 28 7.615 10.542 -6.109 1.00 0.00 O ATOM 387 CB CYS A 28 10.070 8.458 -6.083 1.00 0.00 C ATOM 388 SG CYS A 28 10.605 10.186 -5.802 1.00 0.00 S ATOM 0 H CYS A 28 8.769 9.835 -8.184 1.00 0.00 H new ATOM 0 HA CYS A 28 8.305 7.402 -6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.120 7.897 -5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.745 7.969 -6.785 1.00 0.00 H new ATOM 0 HG CYS A 28 9.578 10.978 -5.890 1.00 0.00 H new ATOM 394 N HIS A 29 7.044 8.750 -4.853 1.00 0.00 N ATOM 395 CA HIS A 29 6.122 9.494 -4.011 1.00 0.00 C ATOM 396 C HIS A 29 6.240 9.006 -2.566 1.00 0.00 C ATOM 397 O HIS A 29 6.707 7.895 -2.318 1.00 0.00 O ATOM 398 CB HIS A 29 4.695 9.400 -4.554 1.00 0.00 C ATOM 399 CG HIS A 29 3.860 10.633 -4.301 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.720 10.619 -3.517 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.012 11.917 -4.736 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.216 11.844 -3.489 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.018 12.647 -4.246 1.00 0.00 N ATOM 0 H HIS A 29 7.125 7.759 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 29 6.384 10.552 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.737 9.216 -5.628 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.201 8.540 -4.102 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.333 9.804 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.807 12.278 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.327 12.153 -2.960 1.00 0.00 H new ATOM 411 N GLU A 30 5.810 9.861 -1.650 1.00 0.00 N ATOM 412 CA GLU A 30 5.861 9.531 -0.236 1.00 0.00 C ATOM 413 C GLU A 30 4.448 9.482 0.349 1.00 0.00 C ATOM 414 O GLU A 30 3.651 10.394 0.134 1.00 0.00 O ATOM 415 CB GLU A 30 6.736 10.527 0.528 1.00 0.00 C ATOM 416 CG GLU A 30 6.059 11.896 0.618 1.00 0.00 C ATOM 417 CD GLU A 30 7.096 13.021 0.635 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.895 13.041 1.596 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.066 13.835 -0.313 1.00 0.00 O ATOM 0 H GLU A 30 5.425 10.782 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 30 6.312 8.544 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.933 10.148 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.700 10.626 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.386 12.029 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.449 11.945 1.520 1.00 0.00 H new ATOM 426 N PHE A 31 4.181 8.409 1.079 1.00 0.00 N ATOM 427 CA PHE A 31 2.878 8.229 1.696 1.00 0.00 C ATOM 428 C PHE A 31 2.994 8.203 3.222 1.00 0.00 C ATOM 429 O PHE A 31 3.977 7.703 3.765 1.00 0.00 O ATOM 430 CB PHE A 31 2.337 6.881 1.215 1.00 0.00 C ATOM 431 CG PHE A 31 1.726 6.920 -0.187 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.482 7.309 -1.248 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.426 6.566 -0.371 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.914 7.346 -2.549 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.142 6.603 -1.672 1.00 0.00 C ATOM 436 CZ PHE A 31 0.614 6.992 -2.734 1.00 0.00 C ATOM 0 H PHE A 31 4.845 7.655 1.257 1.00 0.00 H new ATOM 0 HA PHE A 31 2.219 9.053 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.146 6.151 1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.582 6.532 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.514 7.590 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.174 6.257 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.515 7.655 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.175 6.322 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.182 7.020 -3.723 1.00 0.00 H new ATOM 446 N PHE A 32 1.975 8.749 3.870 1.00 0.00 N ATOM 447 CA PHE A 32 1.950 8.795 5.322 1.00 0.00 C ATOM 448 C PHE A 32 0.726 8.060 5.872 1.00 0.00 C ATOM 449 O PHE A 32 -0.382 8.594 5.858 1.00 0.00 O ATOM 450 CB PHE A 32 1.866 10.270 5.721 1.00 0.00 C ATOM 451 CG PHE A 32 3.205 11.008 5.659 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.682 11.453 4.465 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.919 11.219 6.797 1.00 0.00 C ATOM 454 CE1 PHE A 32 4.924 12.138 4.407 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.161 11.904 6.739 1.00 0.00 C ATOM 456 CZ PHE A 32 5.638 12.349 5.546 1.00 0.00 C ATOM 0 H PHE A 32 1.161 9.163 3.416 1.00 0.00 H new ATOM 0 HA PHE A 32 2.841 8.314 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.155 10.773 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.471 10.340 6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.115 11.285 3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.541 10.865 7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.302 12.492 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.727 12.072 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.583 12.870 5.502 1.00 0.00 H new ATOM 466 N LEU A 33 0.968 6.846 6.345 1.00 0.00 N ATOM 467 CA LEU A 33 -0.101 6.032 6.899 1.00 0.00 C ATOM 468 C LEU A 33 0.378 5.388 8.202 1.00 0.00 C ATOM 469 O LEU A 33 1.575 5.368 8.485 1.00 0.00 O ATOM 470 CB LEU A 33 -0.600 5.025 5.862 1.00 0.00 C ATOM 471 CG LEU A 33 0.403 3.953 5.430 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.695 4.588 4.912 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.667 2.961 6.565 1.00 0.00 C ATOM 0 H LEU A 33 1.888 6.407 6.356 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.963 6.652 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.483 4.527 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.919 5.574 4.976 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.032 3.390 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.391 3.804 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.470 5.222 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.146 5.191 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.383 2.210 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.073 3.493 7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.266 2.473 6.846 1.00 0.00 H new ATOM 485 N ALA A 34 -0.581 4.876 8.959 1.00 0.00 N ATOM 486 CA ALA A 34 -0.272 4.232 10.224 1.00 0.00 C ATOM 487 C ALA A 34 0.865 3.230 10.018 1.00 0.00 C ATOM 488 O ALA A 34 0.841 2.445 9.071 1.00 0.00 O ATOM 489 CB ALA A 34 -1.535 3.574 10.784 1.00 0.00 C ATOM 0 H ALA A 34 -1.573 4.894 8.721 1.00 0.00 H new ATOM 0 HA ALA A 34 0.065 4.966 10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.303 3.091 11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.302 4.333 10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.901 2.829 10.077 1.00 0.00 H new ATOM 495 N GLU A 35 1.835 3.290 10.919 1.00 0.00 N ATOM 496 CA GLU A 35 2.979 2.397 10.847 1.00 0.00 C ATOM 497 C GLU A 35 2.548 0.957 11.134 1.00 0.00 C ATOM 498 O GLU A 35 3.219 0.011 10.724 1.00 0.00 O ATOM 499 CB GLU A 35 4.082 2.841 11.810 1.00 0.00 C ATOM 500 CG GLU A 35 3.602 2.774 13.261 1.00 0.00 C ATOM 501 CD GLU A 35 4.590 3.474 14.198 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.028 4.586 13.832 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.884 2.881 15.258 1.00 0.00 O ATOM 0 H GLU A 35 1.852 3.943 11.702 1.00 0.00 H new ATOM 0 HA GLU A 35 3.385 2.439 9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.958 2.205 11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.390 3.859 11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.621 3.242 13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.485 1.733 13.562 1.00 0.00 H new ATOM 510 N ASN A 36 1.430 0.837 11.835 1.00 0.00 N ATOM 511 CA ASN A 36 0.901 -0.472 12.181 1.00 0.00 C ATOM 512 C ASN A 36 -0.326 -0.766 11.317 1.00 0.00 C ATOM 513 O ASN A 36 -1.305 -1.337 11.796 1.00 0.00 O ATOM 514 CB ASN A 36 0.470 -0.521 13.648 1.00 0.00 C ATOM 515 CG ASN A 36 -0.178 0.798 14.074 1.00 0.00 C ATOM 516 OD1 ASN A 36 -0.747 1.526 13.277 1.00 0.00 O ATOM 517 ND2 ASN A 36 -0.061 1.065 15.371 1.00 0.00 N ATOM 0 H ASN A 36 0.876 1.624 12.173 1.00 0.00 H new ATOM 0 HA ASN A 36 1.686 -1.209 12.011 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.233 -1.340 13.797 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.336 -0.725 14.278 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.460 1.922 15.753 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.428 0.413 15.984 1.00 0.00 H new ATOM 524 N SER A 37 -0.235 -0.363 10.058 1.00 0.00 N ATOM 525 CA SER A 37 -1.326 -0.576 9.123 1.00 0.00 C ATOM 526 C SER A 37 -1.005 -1.756 8.204 1.00 0.00 C ATOM 527 O SER A 37 -0.110 -1.669 7.365 1.00 0.00 O ATOM 528 CB SER A 37 -1.596 0.682 8.296 1.00 0.00 C ATOM 529 OG SER A 37 -2.471 1.585 8.966 1.00 0.00 O ATOM 0 H SER A 37 0.578 0.110 9.664 1.00 0.00 H new ATOM 0 HA SER A 37 -2.226 -0.803 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.653 1.184 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.032 0.399 7.338 1.00 0.00 H new ATOM 0 HG SER A 37 -2.668 2.346 8.380 1.00 0.00 H new ATOM 535 N ASN A 38 -1.752 -2.834 8.394 1.00 0.00 N ATOM 536 CA ASN A 38 -1.558 -4.030 7.593 1.00 0.00 C ATOM 537 C ASN A 38 -1.277 -3.628 6.144 1.00 0.00 C ATOM 538 O ASN A 38 -1.781 -2.612 5.669 1.00 0.00 O ATOM 539 CB ASN A 38 -2.809 -4.910 7.605 1.00 0.00 C ATOM 540 CG ASN A 38 -4.079 -4.057 7.628 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.307 -3.262 8.525 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.891 -4.267 6.596 1.00 0.00 N ATOM 0 H ASN A 38 -2.493 -2.904 9.092 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.722 -4.587 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.814 -5.553 6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.790 -5.564 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.765 -3.747 6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.639 -4.948 5.879 1.00 0.00 H new ATOM 549 N VAL A 39 -0.472 -4.447 5.482 1.00 0.00 N ATOM 550 CA VAL A 39 -0.118 -4.189 4.096 1.00 0.00 C ATOM 551 C VAL A 39 -1.369 -3.765 3.325 1.00 0.00 C ATOM 552 O VAL A 39 -1.343 -2.782 2.585 1.00 0.00 O ATOM 553 CB VAL A 39 0.568 -5.417 3.494 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.527 -5.374 1.965 1.00 0.00 C ATOM 555 CG2 VAL A 39 2.006 -5.546 4.001 1.00 0.00 C ATOM 0 H VAL A 39 -0.055 -5.289 5.879 1.00 0.00 H new ATOM 0 HA VAL A 39 0.597 -3.369 4.031 1.00 0.00 H new ATOM 0 HB VAL A 39 0.018 -6.300 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.021 -6.258 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.510 -5.354 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.040 -4.479 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.470 -6.427 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.572 -4.658 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.002 -5.646 5.086 1.00 0.00 H new ATOM 565 N ARG A 40 -2.435 -4.527 3.523 1.00 0.00 N ATOM 566 CA ARG A 40 -3.693 -4.242 2.855 1.00 0.00 C ATOM 567 C ARG A 40 -4.022 -2.751 2.956 1.00 0.00 C ATOM 568 O ARG A 40 -3.980 -2.034 1.957 1.00 0.00 O ATOM 569 CB ARG A 40 -4.837 -5.052 3.468 1.00 0.00 C ATOM 570 CG ARG A 40 -5.658 -5.751 2.382 1.00 0.00 C ATOM 571 CD ARG A 40 -6.697 -4.801 1.783 1.00 0.00 C ATOM 572 NE ARG A 40 -6.829 -5.047 0.330 1.00 0.00 N ATOM 573 CZ ARG A 40 -7.577 -6.023 -0.202 1.00 0.00 C ATOM 574 NH1 ARG A 40 -8.265 -6.851 0.597 1.00 0.00 N ATOM 575 NH2 ARG A 40 -7.638 -6.171 -1.532 1.00 0.00 N ATOM 0 H ARG A 40 -2.453 -5.342 4.137 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.584 -4.523 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.433 -5.793 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.482 -4.394 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.995 -6.113 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.158 -6.623 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.660 -4.945 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.401 -3.767 1.960 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.318 -4.435 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.219 -6.738 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.835 -7.594 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.115 -5.541 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.207 -6.914 -1.937 1.00 0.00 H new ATOM 589 N ARG A 41 -4.342 -2.329 4.170 1.00 0.00 N ATOM 590 CA ARG A 41 -4.678 -0.936 4.414 1.00 0.00 C ATOM 591 C ARG A 41 -3.789 -0.020 3.570 1.00 0.00 C ATOM 592 O ARG A 41 -4.289 0.790 2.791 1.00 0.00 O ATOM 593 CB ARG A 41 -4.509 -0.580 5.892 1.00 0.00 C ATOM 594 CG ARG A 41 -5.723 -1.029 6.707 1.00 0.00 C ATOM 595 CD ARG A 41 -6.125 0.038 7.727 1.00 0.00 C ATOM 596 NE ARG A 41 -7.371 -0.363 8.416 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.587 -0.321 7.854 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.727 0.106 6.591 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.663 -0.705 8.555 1.00 0.00 N ATOM 0 H ARG A 41 -4.376 -2.927 4.996 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.722 -0.792 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.609 -1.054 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.374 0.496 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.560 -1.231 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.494 -1.962 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.326 0.176 8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.269 0.995 7.226 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.300 -0.692 9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.908 0.399 6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.652 0.138 6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.556 -1.029 9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.588 -0.673 8.127 1.00 0.00 H new ATOM 613 N PHE A 42 -2.487 -0.180 3.754 1.00 0.00 N ATOM 614 CA PHE A 42 -1.523 0.623 3.019 1.00 0.00 C ATOM 615 C PHE A 42 -1.861 0.655 1.527 1.00 0.00 C ATOM 616 O PHE A 42 -1.862 1.719 0.911 1.00 0.00 O ATOM 617 CB PHE A 42 -0.156 -0.038 3.206 1.00 0.00 C ATOM 618 CG PHE A 42 1.021 0.834 2.764 1.00 0.00 C ATOM 619 CD1 PHE A 42 0.797 2.084 2.279 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.292 0.358 2.857 1.00 0.00 C ATOM 621 CE1 PHE A 42 1.890 2.893 1.869 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.385 1.167 2.447 1.00 0.00 C ATOM 623 CZ PHE A 42 3.161 2.417 1.962 1.00 0.00 C ATOM 0 H PHE A 42 -2.076 -0.853 4.401 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.533 1.648 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.029 -0.296 4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.135 -0.972 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.212 2.462 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.470 -0.635 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.712 3.886 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.394 0.789 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.992 3.032 1.650 1.00 0.00 H new ATOM 633 N LYS A 43 -2.140 -0.524 0.990 1.00 0.00 N ATOM 634 CA LYS A 43 -2.479 -0.643 -0.417 1.00 0.00 C ATOM 635 C LYS A 43 -3.653 0.284 -0.736 1.00 0.00 C ATOM 636 O LYS A 43 -3.615 1.026 -1.716 1.00 0.00 O ATOM 637 CB LYS A 43 -2.733 -2.107 -0.785 1.00 0.00 C ATOM 638 CG LYS A 43 -1.444 -2.926 -0.699 1.00 0.00 C ATOM 639 CD LYS A 43 -1.747 -4.426 -0.686 1.00 0.00 C ATOM 640 CE LYS A 43 -0.853 -5.174 -1.677 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.496 -6.437 -2.104 1.00 0.00 N ATOM 0 H LYS A 43 -2.138 -1.405 1.504 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.643 -0.322 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.482 -2.529 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.139 -2.167 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.801 -2.689 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.896 -2.654 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.595 -4.823 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.794 -4.591 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.659 -4.546 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.111 -5.388 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.978 -7.244 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.481 -6.455 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.481 -6.500 -3.142 1.00 0.00 H new ATOM 655 N LYS A 44 -4.670 0.211 0.111 1.00 0.00 N ATOM 656 CA LYS A 44 -5.853 1.035 -0.068 1.00 0.00 C ATOM 657 C LYS A 44 -5.427 2.467 -0.397 1.00 0.00 C ATOM 658 O LYS A 44 -5.899 3.051 -1.371 1.00 0.00 O ATOM 659 CB LYS A 44 -6.768 0.930 1.154 1.00 0.00 C ATOM 660 CG LYS A 44 -7.146 -0.526 1.433 1.00 0.00 C ATOM 661 CD LYS A 44 -8.585 -0.812 0.999 1.00 0.00 C ATOM 662 CE LYS A 44 -8.985 -2.249 1.339 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.919 -2.781 0.322 1.00 0.00 N ATOM 0 H LYS A 44 -4.699 -0.406 0.923 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.443 0.677 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.267 1.353 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.671 1.518 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.464 -1.191 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.034 -0.737 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.263 -0.116 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.685 -0.647 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.096 -2.878 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.453 -2.279 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.181 -3.757 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.774 -2.190 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.459 -2.770 -0.611 1.00 0.00 H new ATOM 677 N GLN A 45 -4.540 2.992 0.436 1.00 0.00 N ATOM 678 CA GLN A 45 -4.046 4.345 0.246 1.00 0.00 C ATOM 679 C GLN A 45 -3.559 4.536 -1.192 1.00 0.00 C ATOM 680 O GLN A 45 -3.814 5.571 -1.806 1.00 0.00 O ATOM 681 CB GLN A 45 -2.935 4.669 1.247 1.00 0.00 C ATOM 682 CG GLN A 45 -3.279 5.916 2.064 1.00 0.00 C ATOM 683 CD GLN A 45 -2.081 6.864 2.149 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.139 8.016 1.753 1.00 0.00 O ATOM 685 NE2 GLN A 45 -0.995 6.316 2.687 1.00 0.00 N ATOM 0 H GLN A 45 -4.151 2.505 1.243 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.867 5.039 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.785 3.822 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.996 4.826 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.124 6.432 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.588 5.624 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.015 5.345 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.143 6.867 2.788 1.00 0.00 H new ATOM 694 N ILE A 46 -2.868 3.520 -1.689 1.00 0.00 N ATOM 695 CA ILE A 46 -2.344 3.563 -3.044 1.00 0.00 C ATOM 696 C ILE A 46 -3.508 3.536 -4.037 1.00 0.00 C ATOM 697 O ILE A 46 -3.580 4.371 -4.937 1.00 0.00 O ATOM 698 CB ILE A 46 -1.325 2.443 -3.259 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.169 2.554 -2.263 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.832 2.421 -4.708 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.365 1.170 -1.885 1.00 0.00 C ATOM 0 H ILE A 46 -2.659 2.662 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.801 4.493 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.821 1.490 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.633 3.151 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.505 3.075 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.109 1.616 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.677 2.258 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.359 3.374 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.186 1.278 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.433 0.584 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.723 0.661 -2.780 1.00 0.00 H new ATOM 713 N SER A 47 -4.389 2.566 -3.840 1.00 0.00 N ATOM 714 CA SER A 47 -5.545 2.419 -4.707 1.00 0.00 C ATOM 715 C SER A 47 -6.239 3.770 -4.889 1.00 0.00 C ATOM 716 O SER A 47 -6.749 4.070 -5.968 1.00 0.00 O ATOM 717 CB SER A 47 -6.528 1.390 -4.145 1.00 0.00 C ATOM 718 OG SER A 47 -7.344 1.939 -3.114 1.00 0.00 O ATOM 0 H SER A 47 -4.325 1.875 -3.093 1.00 0.00 H new ATOM 0 HA SER A 47 -5.200 2.061 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.162 1.017 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.975 0.536 -3.754 1.00 0.00 H new ATOM 0 HG SER A 47 -6.778 2.396 -2.457 1.00 0.00 H new ATOM 724 N LYS A 48 -6.235 4.550 -3.818 1.00 0.00 N ATOM 725 CA LYS A 48 -6.858 5.863 -3.847 1.00 0.00 C ATOM 726 C LYS A 48 -6.018 6.802 -4.714 1.00 0.00 C ATOM 727 O LYS A 48 -6.475 7.264 -5.758 1.00 0.00 O ATOM 728 CB LYS A 48 -7.085 6.379 -2.424 1.00 0.00 C ATOM 729 CG LYS A 48 -8.092 5.501 -1.677 1.00 0.00 C ATOM 730 CD LYS A 48 -9.176 6.353 -1.014 1.00 0.00 C ATOM 731 CE LYS A 48 -10.473 5.558 -0.848 1.00 0.00 C ATOM 732 NZ LYS A 48 -10.693 5.216 0.575 1.00 0.00 N ATOM 0 H LYS A 48 -5.811 4.298 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.846 5.806 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.139 6.394 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.448 7.406 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.551 4.797 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.575 4.911 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.828 6.696 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.364 7.242 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.314 6.141 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.427 4.647 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.577 4.677 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.898 4.641 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.758 6.089 1.136 1.00 0.00 H new ATOM 746 N TYR A 49 -4.803 7.057 -4.250 1.00 0.00 N ATOM 747 CA TYR A 49 -3.895 7.933 -4.970 1.00 0.00 C ATOM 748 C TYR A 49 -3.691 7.449 -6.407 1.00 0.00 C ATOM 749 O TYR A 49 -4.053 8.143 -7.357 1.00 0.00 O ATOM 750 CB TYR A 49 -2.560 7.860 -4.226 1.00 0.00 C ATOM 751 CG TYR A 49 -1.514 8.859 -4.726 1.00 0.00 C ATOM 752 CD1 TYR A 49 -0.651 8.503 -5.743 1.00 0.00 C ATOM 753 CD2 TYR A 49 -1.433 10.115 -4.161 1.00 0.00 C ATOM 754 CE1 TYR A 49 0.334 9.442 -6.213 1.00 0.00 C ATOM 755 CE2 TYR A 49 -0.449 11.054 -4.632 1.00 0.00 C ATOM 756 CZ TYR A 49 0.386 10.672 -5.635 1.00 0.00 C ATOM 757 OH TYR A 49 1.316 11.559 -6.079 1.00 0.00 O ATOM 0 H TYR A 49 -4.427 6.672 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.294 8.946 -5.015 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.737 8.035 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.158 6.851 -4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.715 7.520 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.108 10.394 -3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.016 9.176 -7.007 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.375 12.040 -4.198 1.00 0.00 H new ATOM 0 HH TYR A 49 1.128 12.445 -5.705 1.00 0.00 H new ATOM 767 N LEU A 50 -3.113 6.263 -6.522 1.00 0.00 N ATOM 768 CA LEU A 50 -2.857 5.678 -7.828 1.00 0.00 C ATOM 769 C LEU A 50 -4.169 5.593 -8.610 1.00 0.00 C ATOM 770 O LEU A 50 -4.163 5.566 -9.839 1.00 0.00 O ATOM 771 CB LEU A 50 -2.140 4.335 -7.682 1.00 0.00 C ATOM 772 CG LEU A 50 -0.611 4.391 -7.643 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.117 4.954 -6.308 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.004 3.020 -7.947 1.00 0.00 C ATOM 0 H LEU A 50 -2.814 5.691 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.183 6.312 -8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.490 3.857 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.439 3.694 -8.511 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.274 5.072 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.973 4.983 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.507 5.963 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.464 4.318 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.083 3.088 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.346 2.298 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.316 2.696 -8.940 1.00 0.00 H new ATOM 786 N HIS A 51 -5.264 5.553 -7.864 1.00 0.00 N ATOM 787 CA HIS A 51 -6.581 5.471 -8.472 1.00 0.00 C ATOM 788 C HIS A 51 -6.705 4.162 -9.253 1.00 0.00 C ATOM 789 O HIS A 51 -7.050 4.169 -10.434 1.00 0.00 O ATOM 790 CB HIS A 51 -6.859 6.704 -9.334 1.00 0.00 C ATOM 791 CG HIS A 51 -7.310 7.913 -8.550 1.00 0.00 C ATOM 792 ND1 HIS A 51 -8.580 8.026 -8.012 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.648 9.058 -8.217 1.00 0.00 C ATOM 794 CE1 HIS A 51 -8.667 9.192 -7.387 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.469 9.830 -7.516 1.00 0.00 N ATOM 0 H HIS A 51 -5.266 5.576 -6.844 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.345 5.463 -7.694 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.955 6.959 -9.887 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.624 6.455 -10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.628 9.296 -8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.535 9.570 -6.867 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.241 10.749 -7.136 1.00 0.00 H new ATOM 803 N CYS A 52 -6.418 3.068 -8.563 1.00 0.00 N ATOM 804 CA CYS A 52 -6.493 1.754 -9.177 1.00 0.00 C ATOM 805 C CYS A 52 -7.151 0.795 -8.182 1.00 0.00 C ATOM 806 O CYS A 52 -7.674 1.225 -7.155 1.00 0.00 O ATOM 807 CB CYS A 52 -5.116 1.257 -9.622 1.00 0.00 C ATOM 808 SG CYS A 52 -5.058 1.124 -11.446 1.00 0.00 S ATOM 0 H CYS A 52 -6.133 3.065 -7.584 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.097 1.808 -10.083 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.343 1.942 -9.274 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.907 0.287 -9.172 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.998 1.730 -11.892 1.00 0.00 H new ATOM 814 N ASN A 53 -7.102 -0.484 -8.521 1.00 0.00 N ATOM 815 CA ASN A 53 -7.687 -1.507 -7.670 1.00 0.00 C ATOM 816 C ASN A 53 -6.594 -2.122 -6.795 1.00 0.00 C ATOM 817 O ASN A 53 -5.530 -2.491 -7.291 1.00 0.00 O ATOM 818 CB ASN A 53 -8.310 -2.627 -8.505 1.00 0.00 C ATOM 819 CG ASN A 53 -9.829 -2.665 -8.325 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.430 -1.794 -7.718 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.414 -3.720 -8.885 1.00 0.00 N ATOM 0 H ASN A 53 -6.666 -0.836 -9.373 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.460 -1.038 -7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.069 -2.478 -9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.881 -3.585 -8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.425 -3.836 -8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.851 -4.413 -9.379 1.00 0.00 H new ATOM 828 N ALA A 54 -6.892 -2.213 -5.507 1.00 0.00 N ATOM 829 CA ALA A 54 -5.948 -2.777 -4.557 1.00 0.00 C ATOM 830 C ALA A 54 -5.828 -4.283 -4.798 1.00 0.00 C ATOM 831 O ALA A 54 -4.906 -4.924 -4.294 1.00 0.00 O ATOM 832 CB ALA A 54 -6.399 -2.448 -3.133 1.00 0.00 C ATOM 0 H ALA A 54 -7.775 -1.905 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.958 -2.341 -4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.691 -2.871 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.440 -1.366 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.388 -2.872 -2.957 1.00 0.00 H new ATOM 838 N ASP A 55 -6.772 -4.804 -5.567 1.00 0.00 N ATOM 839 CA ASP A 55 -6.783 -6.223 -5.880 1.00 0.00 C ATOM 840 C ASP A 55 -5.637 -6.537 -6.844 1.00 0.00 C ATOM 841 O ASP A 55 -5.254 -7.696 -7.002 1.00 0.00 O ATOM 842 CB ASP A 55 -8.094 -6.627 -6.558 1.00 0.00 C ATOM 843 CG ASP A 55 -8.260 -8.128 -6.801 1.00 0.00 C ATOM 844 OD1 ASP A 55 -8.799 -8.795 -5.891 1.00 0.00 O ATOM 845 OD2 ASP A 55 -7.845 -8.576 -7.892 1.00 0.00 O ATOM 0 H ASP A 55 -7.535 -4.269 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.674 -6.775 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.925 -6.279 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.166 -6.109 -7.514 1.00 0.00 H new ATOM 850 N ARG A 56 -5.122 -5.485 -7.463 1.00 0.00 N ATOM 851 CA ARG A 56 -4.027 -5.635 -8.407 1.00 0.00 C ATOM 852 C ARG A 56 -2.757 -4.985 -7.854 1.00 0.00 C ATOM 853 O ARG A 56 -1.737 -4.927 -8.538 1.00 0.00 O ATOM 854 CB ARG A 56 -4.371 -4.999 -9.755 1.00 0.00 C ATOM 855 CG ARG A 56 -5.662 -5.590 -10.326 1.00 0.00 C ATOM 856 CD ARG A 56 -5.371 -6.841 -11.159 1.00 0.00 C ATOM 857 NE ARG A 56 -6.018 -6.728 -12.485 1.00 0.00 N ATOM 858 CZ ARG A 56 -5.698 -7.484 -13.544 1.00 0.00 C ATOM 859 NH1 ARG A 56 -4.737 -8.412 -13.439 1.00 0.00 N ATOM 860 NH2 ARG A 56 -6.339 -7.311 -14.708 1.00 0.00 N ATOM 0 H ARG A 56 -5.442 -4.526 -7.330 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.859 -6.702 -8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.482 -3.921 -9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.552 -5.159 -10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.342 -5.841 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.165 -4.846 -10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.295 -6.965 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.738 -7.727 -10.640 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.754 -6.031 -12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.249 -8.543 -12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.493 -8.987 -14.245 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.070 -6.604 -14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.096 -7.886 -15.515 1.00 0.00 H new ATOM 874 N LEU A 57 -2.861 -4.512 -6.620 1.00 0.00 N ATOM 875 CA LEU A 57 -1.734 -3.868 -5.968 1.00 0.00 C ATOM 876 C LEU A 57 -0.951 -4.910 -5.167 1.00 0.00 C ATOM 877 O LEU A 57 -1.541 -5.779 -4.527 1.00 0.00 O ATOM 878 CB LEU A 57 -2.208 -2.678 -5.131 1.00 0.00 C ATOM 879 CG LEU A 57 -2.752 -1.481 -5.914 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.405 -0.464 -4.976 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.658 -0.847 -6.776 1.00 0.00 C ATOM 0 H LEU A 57 -3.709 -4.562 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.050 -3.455 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.985 -3.025 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.375 -2.337 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.528 -1.839 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.783 0.377 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.230 -0.937 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.668 -0.106 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.071 0.001 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.844 -0.506 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.279 -1.584 -7.484 1.00 0.00 H new ATOM 893 N VAL A 58 0.367 -4.789 -5.229 1.00 0.00 N ATOM 894 CA VAL A 58 1.237 -5.710 -4.518 1.00 0.00 C ATOM 895 C VAL A 58 2.266 -4.913 -3.712 1.00 0.00 C ATOM 896 O VAL A 58 2.889 -3.991 -4.235 1.00 0.00 O ATOM 897 CB VAL A 58 1.878 -6.690 -5.502 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.716 -7.738 -4.765 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.818 -7.356 -6.382 1.00 0.00 C ATOM 0 H VAL A 58 0.853 -4.067 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 58 0.663 -6.309 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 58 2.545 -6.124 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.161 -8.422 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.506 -7.242 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.079 -8.297 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.301 -8.048 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.114 -7.902 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.283 -6.593 -6.948 1.00 0.00 H new ATOM 909 N LEU A 59 2.412 -5.299 -2.453 1.00 0.00 N ATOM 910 CA LEU A 59 3.354 -4.633 -1.570 1.00 0.00 C ATOM 911 C LEU A 59 4.703 -5.352 -1.635 1.00 0.00 C ATOM 912 O LEU A 59 4.771 -6.567 -1.458 1.00 0.00 O ATOM 913 CB LEU A 59 2.780 -4.526 -0.156 1.00 0.00 C ATOM 914 CG LEU A 59 2.761 -3.125 0.457 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.182 -2.628 0.734 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.976 -2.151 -0.425 1.00 0.00 C ATOM 0 H LEU A 59 1.893 -6.065 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 59 3.524 -3.607 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.759 -4.908 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.356 -5.179 0.499 1.00 0.00 H new ATOM 0 HG LEU A 59 2.246 -3.179 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.140 -1.630 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.676 -3.307 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.744 -2.593 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.978 -1.162 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.441 -2.095 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.949 -2.501 -0.529 1.00 0.00 H new ATOM 928 N ILE A 60 5.743 -4.571 -1.887 1.00 0.00 N ATOM 929 CA ILE A 60 7.086 -5.118 -1.977 1.00 0.00 C ATOM 930 C ILE A 60 8.061 -4.184 -1.258 1.00 0.00 C ATOM 931 O ILE A 60 8.378 -3.107 -1.759 1.00 0.00 O ATOM 932 CB ILE A 60 7.457 -5.390 -3.436 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.488 -6.390 -4.071 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.912 -5.847 -3.555 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.477 -5.678 -4.971 1.00 0.00 C ATOM 0 H ILE A 60 5.683 -3.563 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 60 7.139 -6.083 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 60 7.366 -4.457 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.046 -7.123 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.962 -6.938 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.150 -6.034 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.570 -5.070 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.054 -6.763 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.800 -6.412 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.904 -4.963 -4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.005 -5.151 -5.766 1.00 0.00 H new ATOM 947 N PHE A 61 8.510 -4.631 -0.094 1.00 0.00 N ATOM 948 CA PHE A 61 9.443 -3.849 0.698 1.00 0.00 C ATOM 949 C PHE A 61 10.834 -4.487 0.696 1.00 0.00 C ATOM 950 O PHE A 61 10.960 -5.709 0.749 1.00 0.00 O ATOM 951 CB PHE A 61 8.907 -3.831 2.131 1.00 0.00 C ATOM 952 CG PHE A 61 9.950 -3.443 3.181 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.249 -2.133 3.392 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.578 -4.409 3.904 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.217 -1.774 4.367 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.546 -4.050 4.879 1.00 0.00 C ATOM 957 CZ PHE A 61 11.845 -2.740 5.090 1.00 0.00 C ATOM 0 H PHE A 61 8.245 -5.525 0.319 1.00 0.00 H new ATOM 0 HA PHE A 61 9.532 -2.845 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.073 -3.132 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.513 -4.818 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.750 -1.366 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.340 -5.449 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.455 -0.734 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.045 -4.817 5.453 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.581 -2.467 5.832 1.00 0.00 H new ATOM 967 N THR A 62 11.843 -3.630 0.632 1.00 0.00 N ATOM 968 CA THR A 62 13.219 -4.095 0.622 1.00 0.00 C ATOM 969 C THR A 62 13.418 -5.150 -0.468 1.00 0.00 C ATOM 970 O THR A 62 14.334 -5.967 -0.387 1.00 0.00 O ATOM 971 CB THR A 62 13.559 -4.600 2.025 1.00 0.00 C ATOM 972 OG1 THR A 62 14.970 -4.792 1.993 1.00 0.00 O ATOM 973 CG2 THR A 62 12.998 -5.997 2.296 1.00 0.00 C ATOM 0 H THR A 62 11.735 -2.617 0.587 1.00 0.00 H new ATOM 0 HA THR A 62 13.907 -3.286 0.377 1.00 0.00 H new ATOM 0 HB THR A 62 13.169 -3.902 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.213 -5.301 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.268 -6.308 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.912 -5.978 2.200 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.413 -6.702 1.576 1.00 0.00 H new ATOM 981 N GLY A 63 12.545 -5.098 -1.463 1.00 0.00 N ATOM 982 CA GLY A 63 12.613 -6.039 -2.568 1.00 0.00 C ATOM 983 C GLY A 63 11.922 -7.356 -2.210 1.00 0.00 C ATOM 984 O GLY A 63 11.841 -8.264 -3.036 1.00 0.00 O ATOM 0 H GLY A 63 11.787 -4.419 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.141 -5.605 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.655 -6.229 -2.825 1.00 0.00 H new ATOM 988 N LYS A 64 11.443 -7.419 -0.976 1.00 0.00 N ATOM 989 CA LYS A 64 10.762 -8.611 -0.498 1.00 0.00 C ATOM 990 C LYS A 64 9.256 -8.345 -0.444 1.00 0.00 C ATOM 991 O LYS A 64 8.813 -7.392 0.195 1.00 0.00 O ATOM 992 CB LYS A 64 11.354 -9.067 0.837 1.00 0.00 C ATOM 993 CG LYS A 64 12.661 -9.834 0.623 1.00 0.00 C ATOM 994 CD LYS A 64 12.395 -11.329 0.438 1.00 0.00 C ATOM 995 CE LYS A 64 13.446 -11.964 -0.475 1.00 0.00 C ATOM 996 NZ LYS A 64 12.843 -13.047 -1.284 1.00 0.00 N ATOM 0 H LYS A 64 11.513 -6.665 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 64 10.915 -9.440 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.536 -8.201 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.637 -9.701 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.178 -9.442 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.321 -9.681 1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.403 -11.826 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.402 -11.475 0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.872 -11.205 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.264 -12.362 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.570 -13.467 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.458 -13.778 -0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.078 -12.657 -1.870 1.00 0.00 H new ATOM 1010 N ILE A 65 8.511 -9.205 -1.123 1.00 0.00 N ATOM 1011 CA ILE A 65 7.064 -9.075 -1.160 1.00 0.00 C ATOM 1012 C ILE A 65 6.498 -9.329 0.238 1.00 0.00 C ATOM 1013 O ILE A 65 7.000 -10.180 0.971 1.00 0.00 O ATOM 1014 CB ILE A 65 6.472 -9.986 -2.238 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.019 -9.626 -3.621 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.943 -9.957 -2.200 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.911 -10.744 -4.165 1.00 0.00 C ATOM 0 H ILE A 65 8.882 -9.994 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 65 6.779 -8.061 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 65 6.780 -11.010 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.192 -9.449 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.588 -8.698 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.547 -10.612 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.597 -10.299 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.594 -8.939 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.287 -10.463 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.750 -10.902 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.332 -11.664 -4.247 1.00 0.00 H new ATOM 1029 N LEU A 66 5.459 -8.574 0.567 1.00 0.00 N ATOM 1030 CA LEU A 66 4.819 -8.706 1.865 1.00 0.00 C ATOM 1031 C LEU A 66 3.477 -9.422 1.696 1.00 0.00 C ATOM 1032 O LEU A 66 3.282 -10.163 0.734 1.00 0.00 O ATOM 1033 CB LEU A 66 4.706 -7.342 2.548 1.00 0.00 C ATOM 1034 CG LEU A 66 5.960 -6.466 2.507 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.687 -5.089 3.116 1.00 0.00 C ATOM 1036 CD2 LEU A 66 7.141 -7.167 3.181 1.00 0.00 C ATOM 0 H LEU A 66 5.045 -7.869 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 66 5.427 -9.320 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.887 -6.792 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.432 -7.501 3.591 1.00 0.00 H new ATOM 0 HG LEU A 66 6.232 -6.308 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.594 -4.486 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.896 -4.593 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.376 -5.205 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.019 -6.523 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.894 -7.375 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.352 -8.103 2.664 1.00 0.00 H new ATOM 1048 N ARG A 67 2.588 -9.175 2.646 1.00 0.00 N ATOM 1049 CA ARG A 67 1.270 -9.787 2.615 1.00 0.00 C ATOM 1050 C ARG A 67 0.253 -8.894 3.328 1.00 0.00 C ATOM 1051 O ARG A 67 0.546 -8.333 4.383 1.00 0.00 O ATOM 1052 CB ARG A 67 1.286 -11.163 3.283 1.00 0.00 C ATOM 1053 CG ARG A 67 2.072 -12.172 2.442 1.00 0.00 C ATOM 1054 CD ARG A 67 1.333 -12.496 1.142 1.00 0.00 C ATOM 1055 NE ARG A 67 1.393 -13.950 0.875 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.139 -14.505 -0.318 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.806 -13.732 -1.360 1.00 0.00 N ATOM 1058 NH2 ARG A 67 1.218 -15.835 -0.469 1.00 0.00 N ATOM 0 H ARG A 67 2.754 -8.559 3.442 1.00 0.00 H new ATOM 0 HA ARG A 67 0.985 -9.906 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.732 -11.085 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.264 -11.516 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.059 -11.770 2.213 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.226 -13.087 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.294 -12.174 1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.780 -11.947 0.313 1.00 0.00 H new ATOM 0 HE ARG A 67 1.643 -14.568 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.746 -12.720 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.613 -14.155 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.471 -16.424 0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.025 -16.258 -1.377 1.00 0.00 H new ATOM 1072 N ASP A 68 -0.921 -8.789 2.724 1.00 0.00 N ATOM 1073 CA ASP A 68 -1.983 -7.973 3.287 1.00 0.00 C ATOM 1074 C ASP A 68 -2.081 -8.239 4.791 1.00 0.00 C ATOM 1075 O ASP A 68 -2.148 -7.304 5.587 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.335 -8.317 2.658 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.563 -9.805 2.389 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -2.847 -10.613 3.020 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.449 -10.103 1.559 1.00 0.00 O ATOM 0 H ASP A 68 -1.161 -9.256 1.849 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.747 -6.928 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.127 -7.957 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.430 -7.774 1.717 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.085 -9.518 5.135 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.173 -9.919 6.529 1.00 0.00 C ATOM 1086 C GLN A 69 -0.928 -9.462 7.292 1.00 0.00 C ATOM 1087 O GLN A 69 -1.003 -9.153 8.480 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.367 -11.431 6.653 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.154 -12.187 6.108 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.471 -13.673 5.923 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -1.264 -14.492 6.803 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.985 -13.972 4.734 1.00 0.00 N ATOM 0 H GLN A 69 -2.029 -10.291 4.472 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.044 -9.436 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.525 -11.696 7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.262 -11.732 6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.850 -11.755 5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.313 -12.073 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.132 -13.237 4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.232 -14.937 4.513 1.00 0.00 H new ATOM 1101 N ASP A 70 0.188 -9.433 6.578 1.00 0.00 N ATOM 1102 CA ASP A 70 1.447 -9.018 7.173 1.00 0.00 C ATOM 1103 C ASP A 70 1.440 -7.500 7.364 1.00 0.00 C ATOM 1104 O ASP A 70 0.992 -6.762 6.488 1.00 0.00 O ATOM 1105 CB ASP A 70 2.628 -9.376 6.268 1.00 0.00 C ATOM 1106 CG ASP A 70 3.106 -10.826 6.371 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.606 -11.524 7.279 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.959 -11.202 5.539 1.00 0.00 O ATOM 0 H ASP A 70 0.246 -9.690 5.593 1.00 0.00 H new ATOM 0 HA ASP A 70 1.555 -9.533 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.348 -9.174 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.462 -8.716 6.507 1.00 0.00 H new ATOM 1113 N ILE A 71 1.943 -7.079 8.515 1.00 0.00 N ATOM 1114 CA ILE A 71 2.001 -5.662 8.833 1.00 0.00 C ATOM 1115 C ILE A 71 3.297 -5.071 8.276 1.00 0.00 C ATOM 1116 O ILE A 71 4.220 -5.807 7.929 1.00 0.00 O ATOM 1117 CB ILE A 71 1.821 -5.442 10.336 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.351 -5.582 10.739 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.408 -4.097 10.768 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.151 -7.006 10.495 1.00 0.00 C ATOM 0 H ILE A 71 2.314 -7.694 9.239 1.00 0.00 H new ATOM 0 HA ILE A 71 1.177 -5.131 8.356 1.00 0.00 H new ATOM 0 HB ILE A 71 2.375 -6.219 10.863 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.233 -5.326 11.792 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.255 -4.877 10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.267 -3.966 11.841 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.473 -4.074 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.903 -3.292 10.234 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.198 -7.078 10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.054 -7.250 9.437 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.441 -7.706 11.084 1.00 0.00 H new ATOM 1132 N LEU A 72 3.326 -3.749 8.207 1.00 0.00 N ATOM 1133 CA LEU A 72 4.495 -3.051 7.698 1.00 0.00 C ATOM 1134 C LEU A 72 5.649 -3.207 8.690 1.00 0.00 C ATOM 1135 O LEU A 72 6.623 -3.903 8.410 1.00 0.00 O ATOM 1136 CB LEU A 72 4.152 -1.595 7.378 1.00 0.00 C ATOM 1137 CG LEU A 72 2.728 -1.334 6.881 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.568 0.112 6.409 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.335 -2.338 5.795 1.00 0.00 C ATOM 0 H LEU A 72 2.559 -3.142 8.495 1.00 0.00 H new ATOM 0 HA LEU A 72 4.822 -3.492 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.318 -0.998 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.851 -1.236 6.623 1.00 0.00 H new ATOM 0 HG LEU A 72 2.043 -1.477 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.547 0.270 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.779 0.790 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.264 0.307 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.319 -2.131 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.021 -2.250 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.385 -3.349 6.199 1.00 0.00 H new ATOM 1151 N SER A 73 5.501 -2.547 9.830 1.00 0.00 N ATOM 1152 CA SER A 73 6.519 -2.604 10.865 1.00 0.00 C ATOM 1153 C SER A 73 6.910 -4.058 11.135 1.00 0.00 C ATOM 1154 O SER A 73 8.078 -4.424 11.010 1.00 0.00 O ATOM 1155 CB SER A 73 6.033 -1.937 12.153 1.00 0.00 C ATOM 1156 OG SER A 73 6.735 -2.412 13.298 1.00 0.00 O ATOM 0 H SER A 73 4.691 -1.970 10.059 1.00 0.00 H new ATOM 0 HA SER A 73 7.395 -2.058 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.160 -0.857 12.072 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.967 -2.124 12.278 1.00 0.00 H new ATOM 0 HG SER A 73 6.397 -1.961 14.100 1.00 0.00 H new ATOM 1162 N GLN A 74 5.911 -4.848 11.501 1.00 0.00 N ATOM 1163 CA GLN A 74 6.136 -6.254 11.790 1.00 0.00 C ATOM 1164 C GLN A 74 7.060 -6.871 10.738 1.00 0.00 C ATOM 1165 O GLN A 74 7.863 -7.748 11.050 1.00 0.00 O ATOM 1166 CB GLN A 74 4.812 -7.015 11.872 1.00 0.00 C ATOM 1167 CG GLN A 74 3.970 -6.526 13.051 1.00 0.00 C ATOM 1168 CD GLN A 74 2.975 -7.599 13.498 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.338 -8.640 14.020 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.703 -7.289 13.264 1.00 0.00 N ATOM 0 H GLN A 74 4.944 -4.541 11.604 1.00 0.00 H new ATOM 0 HA GLN A 74 6.622 -6.332 12.762 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.255 -6.884 10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.008 -8.082 11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.622 -6.261 13.883 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.432 -5.622 12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.468 -6.400 12.823 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.963 -7.940 13.525 1.00 0.00 H new ATOM 1179 N ARG A 75 6.914 -6.388 9.513 1.00 0.00 N ATOM 1180 CA ARG A 75 7.726 -6.881 8.413 1.00 0.00 C ATOM 1181 C ARG A 75 9.101 -6.210 8.425 1.00 0.00 C ATOM 1182 O ARG A 75 10.110 -6.850 8.135 1.00 0.00 O ATOM 1183 CB ARG A 75 7.048 -6.616 7.067 1.00 0.00 C ATOM 1184 CG ARG A 75 6.038 -7.716 6.735 1.00 0.00 C ATOM 1185 CD ARG A 75 6.708 -9.092 6.730 1.00 0.00 C ATOM 1186 NE ARG A 75 6.211 -9.893 5.590 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.753 -11.052 5.193 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.813 -11.553 5.841 1.00 0.00 N ATOM 1189 NH2 ARG A 75 6.235 -11.711 4.147 1.00 0.00 N ATOM 0 H ARG A 75 6.246 -5.661 9.258 1.00 0.00 H new ATOM 0 HA ARG A 75 7.843 -7.957 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.543 -5.650 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.801 -6.560 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.229 -7.704 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.591 -7.522 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.790 -8.978 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.501 -9.610 7.667 1.00 0.00 H new ATOM 0 HE ARG A 75 5.405 -9.541 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.208 -11.052 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.225 -12.435 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.428 -11.330 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.648 -12.593 3.845 1.00 0.00 H new ATOM 1203 N GLY A 76 9.095 -4.928 8.762 1.00 0.00 N ATOM 1204 CA GLY A 76 10.330 -4.164 8.815 1.00 0.00 C ATOM 1205 C GLY A 76 10.091 -2.708 8.408 1.00 0.00 C ATOM 1206 O GLY A 76 10.821 -1.814 8.833 1.00 0.00 O ATOM 0 H GLY A 76 8.256 -4.400 9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.742 -4.201 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.069 -4.614 8.152 1.00 0.00 H new ATOM 1210 N ILE A 77 9.066 -2.516 7.591 1.00 0.00 N ATOM 1211 CA ILE A 77 8.722 -1.185 7.122 1.00 0.00 C ATOM 1212 C ILE A 77 8.672 -0.226 8.313 1.00 0.00 C ATOM 1213 O ILE A 77 7.772 -0.313 9.147 1.00 0.00 O ATOM 1214 CB ILE A 77 7.428 -1.222 6.307 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.677 -1.782 4.906 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.768 0.158 6.264 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.384 -2.322 4.293 1.00 0.00 C ATOM 0 H ILE A 77 8.462 -3.260 7.242 1.00 0.00 H new ATOM 0 HA ILE A 77 9.488 -0.810 6.443 1.00 0.00 H new ATOM 0 HB ILE A 77 6.731 -1.897 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.088 -1.001 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.420 -2.578 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.850 0.104 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.533 0.481 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.450 0.873 5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.590 -2.714 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.988 -3.119 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.651 -1.518 4.222 1.00 0.00 H new ATOM 1229 N LEU A 78 9.651 0.665 8.356 1.00 0.00 N ATOM 1230 CA LEU A 78 9.730 1.639 9.432 1.00 0.00 C ATOM 1231 C LEU A 78 9.534 3.044 8.858 1.00 0.00 C ATOM 1232 O LEU A 78 9.088 3.197 7.721 1.00 0.00 O ATOM 1233 CB LEU A 78 11.035 1.471 10.212 1.00 0.00 C ATOM 1234 CG LEU A 78 10.890 1.211 11.713 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.025 -0.023 11.975 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.260 1.105 12.386 1.00 0.00 C ATOM 0 H LEU A 78 10.397 0.733 7.663 1.00 0.00 H new ATOM 0 HA LEU A 78 8.930 1.474 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.594 0.645 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.635 2.371 10.075 1.00 0.00 H new ATOM 0 HG LEU A 78 10.378 2.063 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.938 -0.185 13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.033 0.131 11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.486 -0.896 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.128 0.920 13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.821 0.283 11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.808 2.036 12.244 1.00 0.00 H new ATOM 1248 N ASP A 79 9.877 4.033 9.669 1.00 0.00 N ATOM 1249 CA ASP A 79 9.744 5.420 9.256 1.00 0.00 C ATOM 1250 C ASP A 79 10.861 5.762 8.268 1.00 0.00 C ATOM 1251 O ASP A 79 12.030 5.477 8.523 1.00 0.00 O ATOM 1252 CB ASP A 79 9.866 6.365 10.453 1.00 0.00 C ATOM 1253 CG ASP A 79 10.938 5.980 11.474 1.00 0.00 C ATOM 1254 OD1 ASP A 79 12.115 6.314 11.216 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.557 5.360 12.491 1.00 0.00 O ATOM 0 H ASP A 79 10.247 3.902 10.610 1.00 0.00 H new ATOM 0 HA ASP A 79 8.763 5.543 8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.080 7.368 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.902 6.411 10.960 1.00 0.00 H new ATOM 1260 N GLY A 80 10.461 6.369 7.160 1.00 0.00 N ATOM 1261 CA GLY A 80 11.413 6.753 6.131 1.00 0.00 C ATOM 1262 C GLY A 80 11.960 5.523 5.404 1.00 0.00 C ATOM 1263 O GLY A 80 13.168 5.398 5.210 1.00 0.00 O ATOM 0 H GLY A 80 9.491 6.604 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.931 7.419 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.235 7.310 6.581 1.00 0.00 H new ATOM 1267 N SER A 81 11.044 4.646 5.020 1.00 0.00 N ATOM 1268 CA SER A 81 11.420 3.431 4.318 1.00 0.00 C ATOM 1269 C SER A 81 10.952 3.502 2.863 1.00 0.00 C ATOM 1270 O SER A 81 10.119 4.337 2.514 1.00 0.00 O ATOM 1271 CB SER A 81 10.834 2.195 5.004 1.00 0.00 C ATOM 1272 OG SER A 81 10.930 2.277 6.423 1.00 0.00 O ATOM 0 H SER A 81 10.043 4.753 5.182 1.00 0.00 H new ATOM 0 HA SER A 81 12.506 3.345 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.788 2.083 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.358 1.305 4.656 1.00 0.00 H new ATOM 0 HG SER A 81 10.488 3.094 6.734 1.00 0.00 H new ATOM 1278 N THR A 82 11.509 2.614 2.052 1.00 0.00 N ATOM 1279 CA THR A 82 11.160 2.565 0.642 1.00 0.00 C ATOM 1280 C THR A 82 10.412 1.269 0.322 1.00 0.00 C ATOM 1281 O THR A 82 10.884 0.180 0.646 1.00 0.00 O ATOM 1282 CB THR A 82 12.444 2.742 -0.170 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.875 4.064 0.145 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.183 2.785 -1.677 1.00 0.00 C ATOM 0 H THR A 82 12.200 1.923 2.345 1.00 0.00 H new ATOM 0 HA THR A 82 10.477 3.372 0.376 1.00 0.00 H new ATOM 0 HB THR A 82 13.131 1.927 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.704 4.262 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.127 2.912 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.713 1.853 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.522 3.621 -1.908 1.00 0.00 H new ATOM 1292 N VAL A 83 9.259 1.429 -0.310 1.00 0.00 N ATOM 1293 CA VAL A 83 8.442 0.285 -0.677 1.00 0.00 C ATOM 1294 C VAL A 83 8.072 0.382 -2.158 1.00 0.00 C ATOM 1295 O VAL A 83 7.630 1.431 -2.624 1.00 0.00 O ATOM 1296 CB VAL A 83 7.220 0.199 0.240 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.486 -1.130 0.051 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.617 0.403 1.703 1.00 0.00 C ATOM 0 H VAL A 83 8.871 2.334 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 83 9.000 -0.642 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 83 6.536 1.002 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.622 -1.166 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.154 -1.218 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.159 -1.954 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.730 0.337 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.330 -0.368 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.075 1.385 1.822 1.00 0.00 H new ATOM 1308 N HIS A 84 8.267 -0.726 -2.858 1.00 0.00 N ATOM 1309 CA HIS A 84 7.960 -0.779 -4.277 1.00 0.00 C ATOM 1310 C HIS A 84 6.467 -1.054 -4.469 1.00 0.00 C ATOM 1311 O HIS A 84 5.923 -1.985 -3.877 1.00 0.00 O ATOM 1312 CB HIS A 84 8.848 -1.802 -4.988 1.00 0.00 C ATOM 1313 CG HIS A 84 10.324 -1.495 -4.907 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.947 -0.583 -5.742 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.294 -1.987 -4.083 1.00 0.00 C ATOM 1316 CE1 HIS A 84 12.233 -0.536 -5.426 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.446 -1.408 -4.398 1.00 0.00 N ATOM 0 H HIS A 84 8.634 -1.594 -2.468 1.00 0.00 H new ATOM 0 HA HIS A 84 8.178 0.185 -4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.668 -2.787 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.555 -1.855 -6.037 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.149 -2.723 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.981 0.083 -5.899 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.343 -1.586 -3.946 1.00 0.00 H new ATOM 1325 N VAL A 85 5.848 -0.228 -5.299 1.00 0.00 N ATOM 1326 CA VAL A 85 4.428 -0.371 -5.576 1.00 0.00 C ATOM 1327 C VAL A 85 4.244 -1.135 -6.889 1.00 0.00 C ATOM 1328 O VAL A 85 5.124 -1.120 -7.749 1.00 0.00 O ATOM 1329 CB VAL A 85 3.756 1.003 -5.585 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.176 1.812 -6.813 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.233 0.868 -5.511 1.00 0.00 C ATOM 0 H VAL A 85 6.303 0.542 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 85 3.942 -0.951 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 85 4.088 1.544 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.684 2.784 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.257 1.952 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.887 1.277 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.779 1.859 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.876 0.299 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.958 0.350 -4.592 1.00 0.00 H new ATOM 1341 N VAL A 86 3.095 -1.784 -7.003 1.00 0.00 N ATOM 1342 CA VAL A 86 2.784 -2.552 -8.197 1.00 0.00 C ATOM 1343 C VAL A 86 1.295 -2.409 -8.517 1.00 0.00 C ATOM 1344 O VAL A 86 0.480 -2.205 -7.618 1.00 0.00 O ATOM 1345 CB VAL A 86 3.219 -4.007 -8.011 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.579 -4.910 -9.068 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.744 -4.131 -8.034 1.00 0.00 C ATOM 0 H VAL A 86 2.368 -1.794 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 86 3.338 -2.168 -9.053 1.00 0.00 H new ATOM 0 HB VAL A 86 2.871 -4.338 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.905 -5.939 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.494 -4.856 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.882 -4.579 -10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.026 -5.175 -7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.124 -3.773 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.170 -3.534 -7.228 1.00 0.00 H new ATOM 1357 N VAL A 87 0.984 -2.523 -9.799 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.393 -2.409 -10.249 1.00 0.00 C ATOM 1359 C VAL A 87 -0.647 -3.428 -11.362 1.00 0.00 C ATOM 1360 O VAL A 87 -0.822 -3.055 -12.521 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.686 -0.970 -10.677 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.233 -0.540 -11.822 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.157 -0.802 -11.062 1.00 0.00 C ATOM 0 H VAL A 87 1.662 -2.693 -10.541 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.081 -2.638 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.486 -0.320 -9.825 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.003 0.487 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.272 -0.603 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.079 -1.197 -12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.339 0.230 -11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.394 -1.468 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.787 -1.048 -10.207 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.660 -4.694 -10.971 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.891 -5.768 -11.921 1.00 0.00 C ATOM 1375 C ARG A 88 -1.969 -5.364 -12.929 1.00 0.00 C ATOM 1376 O ARG A 88 -2.974 -4.760 -12.559 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.324 -7.051 -11.208 1.00 0.00 C ATOM 1378 CG ARG A 88 -0.120 -7.774 -10.600 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.552 -8.691 -9.455 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.798 -10.058 -9.965 1.00 0.00 N ATOM 1381 CZ ARG A 88 -1.130 -11.100 -9.192 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -1.259 -10.938 -7.868 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -1.334 -12.305 -9.742 1.00 0.00 N ATOM 0 H ARG A 88 -0.514 -5.000 -10.009 1.00 0.00 H new ATOM 0 HA ARG A 88 0.047 -5.955 -12.443 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.042 -6.811 -10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.830 -7.710 -11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.384 -8.359 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.600 -7.043 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.220 -8.715 -8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.456 -8.301 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.709 -10.217 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.104 -10.021 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.512 -11.732 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.236 -12.429 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.587 -13.098 -9.153 1.00 0.00 H new ATOM 1397 N SER A 89 -1.723 -5.714 -14.183 1.00 0.00 N ATOM 1398 CA SER A 89 -2.660 -5.395 -15.246 1.00 0.00 C ATOM 1399 C SER A 89 -2.132 -5.918 -16.584 1.00 0.00 C ATOM 1400 O SER A 89 -1.358 -5.240 -17.258 1.00 0.00 O ATOM 1401 CB SER A 89 -2.909 -3.887 -15.328 1.00 0.00 C ATOM 1402 OG SER A 89 -1.713 -3.163 -15.601 1.00 0.00 O ATOM 0 H SER A 89 -0.888 -6.215 -14.486 1.00 0.00 H new ATOM 0 HA SER A 89 -3.609 -5.881 -15.021 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.643 -3.683 -16.108 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.337 -3.539 -14.388 1.00 0.00 H new ATOM 0 HG SER A 89 -1.200 -3.628 -16.294 1.00 0.00 H new ATOM 1408 N HIS A 90 -2.571 -7.120 -16.927 1.00 0.00 N ATOM 1409 CA HIS A 90 -2.152 -7.742 -18.172 1.00 0.00 C ATOM 1410 C HIS A 90 -0.636 -7.946 -18.159 1.00 0.00 C ATOM 1411 O HIS A 90 0.059 -7.409 -17.298 1.00 0.00 O ATOM 1412 CB HIS A 90 -2.631 -6.927 -19.375 1.00 0.00 C ATOM 1413 CG HIS A 90 -4.087 -7.135 -19.717 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -5.034 -6.131 -19.610 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -4.749 -8.241 -20.165 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -6.208 -6.621 -19.979 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -6.029 -7.929 -20.322 1.00 0.00 N ATOM 0 H HIS A 90 -3.212 -7.680 -16.365 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.615 -8.724 -18.266 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.463 -5.869 -19.174 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.024 -7.187 -20.242 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.306 -9.207 -20.359 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -7.142 -6.080 -20.004 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -6.759 -8.563 -20.646 1.00 0.00 H new ATOM 1425 N SER A 91 -0.167 -8.722 -19.125 1.00 0.00 N ATOM 1426 CA SER A 91 1.254 -9.003 -19.236 1.00 0.00 C ATOM 1427 C SER A 91 1.682 -8.964 -20.704 1.00 0.00 C ATOM 1428 O SER A 91 1.557 -9.958 -21.418 1.00 0.00 O ATOM 1429 CB SER A 91 1.597 -10.360 -18.619 1.00 0.00 C ATOM 1430 OG SER A 91 0.879 -11.425 -19.238 1.00 0.00 O ATOM 0 H SER A 91 -0.746 -9.165 -19.838 1.00 0.00 H new ATOM 0 HA SER A 91 1.798 -8.236 -18.685 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.668 -10.541 -18.714 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.370 -10.341 -17.553 1.00 0.00 H new ATOM 0 HG SER A 91 0.848 -11.279 -20.207 1.00 0.00 H new ATOM 1436 N GLY A 92 2.178 -7.805 -21.112 1.00 0.00 N ATOM 1437 CA GLY A 92 2.625 -7.623 -22.483 1.00 0.00 C ATOM 1438 C GLY A 92 2.136 -6.288 -23.047 1.00 0.00 C ATOM 1439 O GLY A 92 2.031 -5.303 -22.317 1.00 0.00 O ATOM 0 H GLY A 92 2.280 -6.983 -20.517 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.714 -7.661 -22.522 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.255 -8.441 -23.101 1.00 0.00 H new ATOM 1443 N PRO A 93 1.842 -6.297 -24.375 1.00 0.00 N ATOM 1444 CA PRO A 93 1.366 -5.099 -25.045 1.00 0.00 C ATOM 1445 C PRO A 93 -0.094 -4.815 -24.689 1.00 0.00 C ATOM 1446 O PRO A 93 -0.873 -5.739 -24.464 1.00 0.00 O ATOM 1447 CB PRO A 93 1.575 -5.368 -26.526 1.00 0.00 C ATOM 1448 CG PRO A 93 1.723 -6.875 -26.660 1.00 0.00 C ATOM 1449 CD PRO A 93 1.954 -7.445 -25.270 1.00 0.00 C ATOM 0 HA PRO A 93 1.904 -4.202 -24.737 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.730 -5.005 -27.112 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.463 -4.854 -26.895 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.828 -7.308 -27.107 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.558 -7.120 -27.317 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.216 -8.209 -25.028 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.935 -7.913 -25.192 1.00 0.00 H new ATOM 1457 N SER A 94 -0.421 -3.531 -24.648 1.00 0.00 N ATOM 1458 CA SER A 94 -1.774 -3.113 -24.323 1.00 0.00 C ATOM 1459 C SER A 94 -2.229 -2.016 -25.287 1.00 0.00 C ATOM 1460 O SER A 94 -2.182 -0.833 -24.954 1.00 0.00 O ATOM 1461 CB SER A 94 -1.866 -2.621 -22.877 1.00 0.00 C ATOM 1462 OG SER A 94 -1.120 -1.424 -22.672 1.00 0.00 O ATOM 0 H SER A 94 0.228 -2.767 -24.835 1.00 0.00 H new ATOM 0 HA SER A 94 -2.433 -3.975 -24.428 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.911 -2.446 -22.619 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.498 -3.397 -22.206 1.00 0.00 H new ATOM 0 HG SER A 94 -1.232 -0.832 -23.445 1.00 0.00 H new ATOM 1468 N SER A 95 -2.659 -2.448 -26.464 1.00 0.00 N ATOM 1469 CA SER A 95 -3.122 -1.517 -27.479 1.00 0.00 C ATOM 1470 C SER A 95 -1.973 -0.606 -27.916 1.00 0.00 C ATOM 1471 O SER A 95 -1.734 0.434 -27.303 1.00 0.00 O ATOM 1472 CB SER A 95 -4.296 -0.682 -26.966 1.00 0.00 C ATOM 1473 OG SER A 95 -4.929 0.050 -28.012 1.00 0.00 O ATOM 0 H SER A 95 -2.696 -3.430 -26.737 1.00 0.00 H new ATOM 0 HA SER A 95 -3.469 -2.092 -28.338 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.025 -1.337 -26.489 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.942 0.010 -26.202 1.00 0.00 H new ATOM 0 HG SER A 95 -5.674 0.569 -27.644 1.00 0.00 H new ATOM 1479 N GLY A 96 -1.293 -1.028 -28.971 1.00 0.00 N ATOM 1480 CA GLY A 96 -0.176 -0.263 -29.497 1.00 0.00 C ATOM 1481 C GLY A 96 0.424 -0.944 -30.729 1.00 0.00 C ATOM 1482 O GLY A 96 0.890 -0.273 -31.649 1.00 0.00 O ATOM 0 H GLY A 96 -1.494 -1.891 -29.476 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.510 0.741 -29.759 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.589 -0.155 -28.728 1.00 0.00 H new TER 1486 GLY A 96