USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 711 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 41 CYS SG : rot 150:sc= -5.56! USER MOD Set 1.2: A 51 THR OG1 : rot 128:sc= 0.971 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.362 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 16 ASN : amide:sc= -0.243 K(o=-0.24,f=-0.91) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -2.03! C(o=-2!,f=-4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 28 SER OG : rot 120:sc= 0.0729 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00797 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 SER OG : rot 59:sc= 1.06 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -123:sc= -3.11! USER MOD Single : A 50 HIS : no HD1:sc= -0.795 K(o=-0.79,f=-0.064) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 70 ASN : amide:sc= -3.31 K(o=-3.3,f=-9.4!) USER MOD Single : A 78 TYR OH : rot 180:sc= -2.43 USER MOD Single : A 80 MET CE :methyl -131:sc= -0.141 (180deg=-1.84!) USER MOD Single : A 83 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.4) USER MOD Single : A 86 SER OG : rot 180:sc= -0.119 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.619 -17.074 18.067 1.00 0.00 N ATOM 2 CA GLY A 1 -0.318 -16.445 17.151 1.00 0.00 C ATOM 3 C GLY A 1 0.303 -16.275 15.763 1.00 0.00 C ATOM 4 O GLY A 1 0.736 -15.182 15.403 1.00 0.00 O ATOM 0 H1 GLY A 1 0.174 -17.178 19.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.884 -18.012 17.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.470 -16.483 18.153 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.222 -17.050 17.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.616 -15.472 17.542 1.00 0.00 H new ATOM 8 N SER A 2 0.327 -17.373 15.022 1.00 0.00 N ATOM 9 CA SER A 2 0.888 -17.359 13.682 1.00 0.00 C ATOM 10 C SER A 2 -0.119 -17.940 12.687 1.00 0.00 C ATOM 11 O SER A 2 -0.534 -19.091 12.819 1.00 0.00 O ATOM 12 CB SER A 2 2.201 -18.142 13.626 1.00 0.00 C ATOM 13 OG SER A 2 2.009 -19.528 13.893 1.00 0.00 O ATOM 0 H SER A 2 -0.033 -18.278 15.324 1.00 0.00 H new ATOM 0 HA SER A 2 1.101 -16.325 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.653 -18.022 12.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.901 -17.727 14.351 1.00 0.00 H new ATOM 0 HG SER A 2 1.131 -19.807 13.559 1.00 0.00 H new ATOM 19 N SER A 3 -0.483 -17.119 11.714 1.00 0.00 N ATOM 20 CA SER A 3 -1.434 -17.537 10.697 1.00 0.00 C ATOM 21 C SER A 3 -0.738 -17.632 9.338 1.00 0.00 C ATOM 22 O SER A 3 -0.179 -16.650 8.852 1.00 0.00 O ATOM 23 CB SER A 3 -2.618 -16.572 10.621 1.00 0.00 C ATOM 24 OG SER A 3 -3.748 -17.163 9.984 1.00 0.00 O ATOM 0 H SER A 3 -0.137 -16.166 11.608 1.00 0.00 H new ATOM 0 HA SER A 3 -1.818 -18.520 10.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.893 -16.256 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.321 -15.676 10.075 1.00 0.00 H new ATOM 0 HG SER A 3 -4.484 -16.516 9.956 1.00 0.00 H new ATOM 30 N GLY A 4 -0.795 -18.824 8.762 1.00 0.00 N ATOM 31 CA GLY A 4 -0.177 -19.061 7.469 1.00 0.00 C ATOM 32 C GLY A 4 0.936 -20.106 7.575 1.00 0.00 C ATOM 33 O GLY A 4 1.797 -20.014 8.448 1.00 0.00 O ATOM 0 H GLY A 4 -1.260 -19.636 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.931 -19.399 6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.231 -18.128 7.081 1.00 0.00 H new ATOM 37 N SER A 5 0.881 -21.076 6.674 1.00 0.00 N ATOM 38 CA SER A 5 1.873 -22.137 6.656 1.00 0.00 C ATOM 39 C SER A 5 2.456 -22.284 5.249 1.00 0.00 C ATOM 40 O SER A 5 3.661 -22.130 5.054 1.00 0.00 O ATOM 41 CB SER A 5 1.269 -23.464 7.121 1.00 0.00 C ATOM 42 OG SER A 5 2.129 -24.154 8.023 1.00 0.00 O ATOM 0 H SER A 5 0.165 -21.149 5.951 1.00 0.00 H new ATOM 0 HA SER A 5 2.672 -21.870 7.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.311 -23.276 7.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.070 -24.095 6.255 1.00 0.00 H new ATOM 0 HG SER A 5 1.708 -24.995 8.298 1.00 0.00 H new ATOM 48 N SER A 6 1.575 -22.580 4.305 1.00 0.00 N ATOM 49 CA SER A 6 1.987 -22.749 2.922 1.00 0.00 C ATOM 50 C SER A 6 0.856 -22.327 1.983 1.00 0.00 C ATOM 51 O SER A 6 -0.259 -22.058 2.430 1.00 0.00 O ATOM 52 CB SER A 6 2.397 -24.196 2.643 1.00 0.00 C ATOM 53 OG SER A 6 3.741 -24.291 2.178 1.00 0.00 O ATOM 0 H SER A 6 0.577 -22.707 4.471 1.00 0.00 H new ATOM 0 HA SER A 6 2.854 -22.113 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.286 -24.786 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.725 -24.626 1.900 1.00 0.00 H new ATOM 0 HG SER A 6 3.964 -25.231 2.013 1.00 0.00 H new ATOM 59 N GLY A 7 1.180 -22.283 0.700 1.00 0.00 N ATOM 60 CA GLY A 7 0.205 -21.899 -0.306 1.00 0.00 C ATOM 61 C GLY A 7 -0.220 -20.439 -0.129 1.00 0.00 C ATOM 62 O GLY A 7 -0.709 -20.056 0.933 1.00 0.00 O ATOM 0 H GLY A 7 2.105 -22.507 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.628 -22.040 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.669 -22.547 -0.237 1.00 0.00 H new ATOM 66 N GLU A 8 -0.017 -19.665 -1.185 1.00 0.00 N ATOM 67 CA GLU A 8 -0.373 -18.256 -1.159 1.00 0.00 C ATOM 68 C GLU A 8 -0.079 -17.610 -2.514 1.00 0.00 C ATOM 69 O GLU A 8 1.066 -17.267 -2.807 1.00 0.00 O ATOM 70 CB GLU A 8 0.361 -17.526 -0.032 1.00 0.00 C ATOM 71 CG GLU A 8 -0.581 -17.236 1.138 1.00 0.00 C ATOM 72 CD GLU A 8 -0.264 -15.881 1.774 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.162 -14.984 1.014 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.456 -15.772 3.004 1.00 0.00 O ATOM 0 H GLU A 8 0.389 -19.986 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.442 -18.174 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.199 -18.131 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.777 -16.592 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.614 -17.245 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.490 -18.023 1.886 1.00 0.00 H new ATOM 81 N LYS A 9 -1.132 -17.462 -3.304 1.00 0.00 N ATOM 82 CA LYS A 9 -1.001 -16.863 -4.621 1.00 0.00 C ATOM 83 C LYS A 9 -0.916 -15.342 -4.479 1.00 0.00 C ATOM 84 O LYS A 9 -1.903 -14.690 -4.142 1.00 0.00 O ATOM 85 CB LYS A 9 -2.133 -17.332 -5.538 1.00 0.00 C ATOM 86 CG LYS A 9 -1.982 -16.741 -6.942 1.00 0.00 C ATOM 87 CD LYS A 9 -1.270 -17.722 -7.875 1.00 0.00 C ATOM 88 CE LYS A 9 -2.184 -18.894 -8.240 1.00 0.00 C ATOM 89 NZ LYS A 9 -1.413 -20.156 -8.292 1.00 0.00 N ATOM 0 H LYS A 9 -2.080 -17.747 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.078 -17.191 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.132 -18.420 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.094 -17.036 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.965 -16.497 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.419 -15.809 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.957 -17.205 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.367 -18.097 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.985 -18.980 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.655 -18.709 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.048 -20.941 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.664 -20.076 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.984 -20.339 -7.362 1.00 0.00 H new ATOM 103 N THR A 10 0.274 -14.821 -4.742 1.00 0.00 N ATOM 104 CA THR A 10 0.501 -13.389 -4.647 1.00 0.00 C ATOM 105 C THR A 10 0.276 -12.722 -6.005 1.00 0.00 C ATOM 106 O THR A 10 0.534 -13.324 -7.046 1.00 0.00 O ATOM 107 CB THR A 10 1.908 -13.170 -4.088 1.00 0.00 C ATOM 108 OG1 THR A 10 2.689 -14.191 -4.703 1.00 0.00 O ATOM 109 CG2 THR A 10 2.000 -13.481 -2.593 1.00 0.00 C ATOM 0 H THR A 10 1.091 -15.365 -5.021 1.00 0.00 H new ATOM 0 HA THR A 10 -0.211 -12.920 -3.968 1.00 0.00 H new ATOM 0 HB THR A 10 2.211 -12.138 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.617 -14.122 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.019 -13.309 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.317 -12.833 -2.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.729 -14.523 -2.421 1.00 0.00 H new ATOM 117 N VAL A 11 -0.203 -11.488 -5.951 1.00 0.00 N ATOM 118 CA VAL A 11 -0.465 -10.733 -7.164 1.00 0.00 C ATOM 119 C VAL A 11 0.593 -9.639 -7.318 1.00 0.00 C ATOM 120 O VAL A 11 1.305 -9.320 -6.366 1.00 0.00 O ATOM 121 CB VAL A 11 -1.893 -10.184 -7.140 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.918 -11.318 -7.210 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.124 -9.311 -5.904 1.00 0.00 C ATOM 0 H VAL A 11 -0.417 -10.992 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.394 -11.379 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.026 -9.558 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.925 -10.900 -7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.776 -11.881 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.785 -11.982 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.146 -8.933 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.963 -9.904 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.428 -8.473 -5.915 1.00 0.00 H new ATOM 133 N ARG A 12 0.664 -9.094 -8.523 1.00 0.00 N ATOM 134 CA ARG A 12 1.624 -8.042 -8.814 1.00 0.00 C ATOM 135 C ARG A 12 1.013 -6.670 -8.522 1.00 0.00 C ATOM 136 O ARG A 12 0.116 -6.222 -9.234 1.00 0.00 O ATOM 137 CB ARG A 12 2.070 -8.093 -10.277 1.00 0.00 C ATOM 138 CG ARG A 12 3.395 -8.845 -10.420 1.00 0.00 C ATOM 139 CD ARG A 12 3.973 -8.674 -11.826 1.00 0.00 C ATOM 140 NE ARG A 12 4.590 -9.941 -12.277 1.00 0.00 N ATOM 141 CZ ARG A 12 3.905 -11.072 -12.501 1.00 0.00 C ATOM 142 NH1 ARG A 12 2.579 -11.099 -12.316 1.00 0.00 N ATOM 143 NH2 ARG A 12 4.548 -12.174 -12.909 1.00 0.00 N ATOM 0 H ARG A 12 0.072 -9.361 -9.310 1.00 0.00 H new ATOM 0 HA ARG A 12 2.493 -8.200 -8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.303 -8.582 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.179 -7.080 -10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.108 -8.476 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.241 -9.904 -10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.185 -8.377 -12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.716 -7.877 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 12 5.599 -9.955 -12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.090 -10.260 -12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.058 -11.959 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.558 -12.153 -13.049 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.028 -13.034 -13.079 1.00 0.00 H new ATOM 157 N VAL A 13 1.523 -6.042 -7.473 1.00 0.00 N ATOM 158 CA VAL A 13 1.039 -4.730 -7.077 1.00 0.00 C ATOM 159 C VAL A 13 2.154 -3.701 -7.271 1.00 0.00 C ATOM 160 O VAL A 13 3.311 -3.964 -6.946 1.00 0.00 O ATOM 161 CB VAL A 13 0.511 -4.778 -5.642 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.144 -3.378 -5.146 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.680 -5.731 -5.527 1.00 0.00 C ATOM 0 H VAL A 13 2.267 -6.417 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 13 0.202 -4.425 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 13 1.308 -5.161 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.229 -3.440 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.027 -2.740 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.628 -2.955 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.036 -5.746 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.482 -5.392 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.372 -6.735 -5.819 1.00 0.00 H new ATOM 173 N VAL A 14 1.767 -2.549 -7.799 1.00 0.00 N ATOM 174 CA VAL A 14 2.719 -1.478 -8.039 1.00 0.00 C ATOM 175 C VAL A 14 2.772 -0.564 -6.814 1.00 0.00 C ATOM 176 O VAL A 14 1.764 -0.369 -6.136 1.00 0.00 O ATOM 177 CB VAL A 14 2.356 -0.734 -9.326 1.00 0.00 C ATOM 178 CG1 VAL A 14 3.338 0.409 -9.594 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.294 -1.693 -10.516 1.00 0.00 C ATOM 0 H VAL A 14 0.807 -2.334 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 14 3.720 -1.883 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 14 1.365 -0.301 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.058 0.921 -10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.311 1.114 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.346 0.007 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.034 -1.138 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.265 -2.169 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.538 -2.456 -10.329 1.00 0.00 H new ATOM 189 N ILE A 15 3.958 -0.026 -6.566 1.00 0.00 N ATOM 190 CA ILE A 15 4.155 0.863 -5.434 1.00 0.00 C ATOM 191 C ILE A 15 4.822 2.153 -5.915 1.00 0.00 C ATOM 192 O ILE A 15 6.046 2.225 -6.013 1.00 0.00 O ATOM 193 CB ILE A 15 4.926 0.151 -4.321 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.313 -1.219 -4.020 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.016 1.026 -3.070 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.964 -1.073 -3.314 1.00 0.00 C ATOM 0 H ILE A 15 4.792 -0.189 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 15 3.196 1.142 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 15 5.945 -0.021 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.183 -1.775 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.994 -1.797 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.569 0.496 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.531 1.955 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.012 1.251 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.550 -2.061 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.101 -0.538 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.278 -0.516 -3.952 1.00 0.00 H new ATOM 208 N ASN A 16 3.987 3.141 -6.203 1.00 0.00 N ATOM 209 CA ASN A 16 4.480 4.425 -6.671 1.00 0.00 C ATOM 210 C ASN A 16 4.889 5.279 -5.469 1.00 0.00 C ATOM 211 O ASN A 16 4.060 5.598 -4.619 1.00 0.00 O ATOM 212 CB ASN A 16 3.398 5.183 -7.442 1.00 0.00 C ATOM 213 CG ASN A 16 3.150 4.544 -8.810 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.767 4.886 -9.805 1.00 0.00 O ATOM 215 ND2 ASN A 16 2.214 3.599 -8.804 1.00 0.00 N ATOM 0 H ASN A 16 2.972 3.078 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 16 5.329 4.240 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.473 5.189 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.699 6.223 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.975 3.112 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.735 3.361 -7.935 1.00 0.00 H new ATOM 222 N PHE A 17 6.168 5.624 -5.437 1.00 0.00 N ATOM 223 CA PHE A 17 6.697 6.434 -4.353 1.00 0.00 C ATOM 224 C PHE A 17 7.777 7.392 -4.861 1.00 0.00 C ATOM 225 O PHE A 17 8.237 7.269 -5.995 1.00 0.00 O ATOM 226 CB PHE A 17 7.321 5.473 -3.339 1.00 0.00 C ATOM 227 CG PHE A 17 8.659 4.880 -3.785 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.812 5.570 -3.575 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.695 3.663 -4.391 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.054 5.019 -3.989 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.937 3.113 -4.805 1.00 0.00 C ATOM 232 CZ PHE A 17 11.090 3.802 -4.595 1.00 0.00 C ATOM 0 H PHE A 17 6.853 5.357 -6.144 1.00 0.00 H new ATOM 0 HA PHE A 17 5.899 7.030 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.465 6.000 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.621 4.660 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.783 6.536 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.779 3.115 -4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.970 5.567 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.966 2.147 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.034 3.383 -4.909 1.00 0.00 H new ATOM 242 N LYS A 18 8.151 8.324 -3.997 1.00 0.00 N ATOM 243 CA LYS A 18 9.168 9.302 -4.344 1.00 0.00 C ATOM 244 C LYS A 18 8.590 10.296 -5.353 1.00 0.00 C ATOM 245 O LYS A 18 9.311 11.144 -5.877 1.00 0.00 O ATOM 246 CB LYS A 18 10.440 8.603 -4.828 1.00 0.00 C ATOM 247 CG LYS A 18 11.560 8.725 -3.792 1.00 0.00 C ATOM 248 CD LYS A 18 12.913 8.355 -4.403 1.00 0.00 C ATOM 249 CE LYS A 18 13.792 7.623 -3.386 1.00 0.00 C ATOM 250 NZ LYS A 18 14.987 8.431 -3.057 1.00 0.00 N ATOM 0 H LYS A 18 7.768 8.423 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 18 9.462 9.875 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.230 7.551 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.764 9.041 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.596 9.745 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.349 8.073 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.760 7.724 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.420 9.257 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.220 7.423 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.098 6.658 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.572 7.920 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.540 8.600 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.690 9.342 -2.652 1.00 0.00 H new ATOM 264 N LYS A 19 7.295 10.158 -5.597 1.00 0.00 N ATOM 265 CA LYS A 19 6.613 11.033 -6.534 1.00 0.00 C ATOM 266 C LYS A 19 7.297 10.944 -7.900 1.00 0.00 C ATOM 267 O LYS A 19 7.522 11.962 -8.553 1.00 0.00 O ATOM 268 CB LYS A 19 6.533 12.457 -5.978 1.00 0.00 C ATOM 269 CG LYS A 19 5.255 12.655 -5.161 1.00 0.00 C ATOM 270 CD LYS A 19 4.653 14.039 -5.412 1.00 0.00 C ATOM 271 CE LYS A 19 5.612 15.144 -4.964 1.00 0.00 C ATOM 272 NZ LYS A 19 4.896 16.153 -4.151 1.00 0.00 N ATOM 0 H LYS A 19 6.700 9.453 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 19 5.581 10.711 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.403 12.657 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.559 13.174 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.529 11.886 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.475 12.537 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.429 14.155 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.709 14.132 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.428 14.713 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.059 15.621 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.561 16.896 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.133 16.577 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.490 15.696 -3.309 1.00 0.00 H new ATOM 286 N THR A 20 7.609 9.717 -8.291 1.00 0.00 N ATOM 287 CA THR A 20 8.263 9.481 -9.567 1.00 0.00 C ATOM 288 C THR A 20 8.702 8.020 -9.679 1.00 0.00 C ATOM 289 O THR A 20 8.502 7.386 -10.714 1.00 0.00 O ATOM 290 CB THR A 20 9.419 10.475 -9.695 1.00 0.00 C ATOM 291 OG1 THR A 20 10.399 9.771 -10.454 1.00 0.00 O ATOM 292 CG2 THR A 20 10.110 10.747 -8.357 1.00 0.00 C ATOM 0 H THR A 20 7.421 8.875 -7.746 1.00 0.00 H new ATOM 0 HA THR A 20 7.579 9.646 -10.400 1.00 0.00 H new ATOM 0 HB THR A 20 9.047 11.412 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.184 10.343 -10.586 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.922 11.459 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.389 11.161 -7.653 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.512 9.815 -7.959 1.00 0.00 H new ATOM 300 N GLN A 21 9.293 7.528 -8.600 1.00 0.00 N ATOM 301 CA GLN A 21 9.762 6.154 -8.564 1.00 0.00 C ATOM 302 C GLN A 21 8.599 5.204 -8.269 1.00 0.00 C ATOM 303 O GLN A 21 7.645 5.577 -7.588 1.00 0.00 O ATOM 304 CB GLN A 21 10.883 5.983 -7.538 1.00 0.00 C ATOM 305 CG GLN A 21 12.017 6.978 -7.794 1.00 0.00 C ATOM 306 CD GLN A 21 13.347 6.444 -7.260 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.483 5.283 -6.908 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.318 7.352 -7.219 1.00 0.00 N ATOM 0 H GLN A 21 9.458 8.057 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 21 10.170 5.905 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.487 6.129 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.270 4.965 -7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.102 7.171 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.785 7.930 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.137 8.307 -7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.244 7.094 -6.878 1.00 0.00 H new ATOM 317 N LYS A 22 8.717 3.994 -8.795 1.00 0.00 N ATOM 318 CA LYS A 22 7.688 2.987 -8.597 1.00 0.00 C ATOM 319 C LYS A 22 8.321 1.596 -8.669 1.00 0.00 C ATOM 320 O LYS A 22 9.362 1.415 -9.299 1.00 0.00 O ATOM 321 CB LYS A 22 6.540 3.193 -9.586 1.00 0.00 C ATOM 322 CG LYS A 22 7.064 3.308 -11.019 1.00 0.00 C ATOM 323 CD LYS A 22 6.314 2.359 -11.956 1.00 0.00 C ATOM 324 CE LYS A 22 6.742 2.570 -13.409 1.00 0.00 C ATOM 325 NZ LYS A 22 7.778 1.585 -13.792 1.00 0.00 N ATOM 0 H LYS A 22 9.510 3.688 -9.359 1.00 0.00 H new ATOM 0 HA LYS A 22 7.245 3.084 -7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.841 2.359 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.987 4.095 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.952 4.334 -11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.129 3.078 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.506 1.327 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.240 2.523 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.878 2.473 -14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.128 3.581 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.058 1.742 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.608 1.697 -13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.397 0.623 -13.688 1.00 0.00 H new ATOM 339 N THR A 23 7.665 0.648 -8.015 1.00 0.00 N ATOM 340 CA THR A 23 8.150 -0.721 -7.998 1.00 0.00 C ATOM 341 C THR A 23 6.987 -1.697 -7.806 1.00 0.00 C ATOM 342 O THR A 23 5.978 -1.352 -7.192 1.00 0.00 O ATOM 343 CB THR A 23 9.220 -0.830 -6.909 1.00 0.00 C ATOM 344 OG1 THR A 23 9.446 -2.231 -6.783 1.00 0.00 O ATOM 345 CG2 THR A 23 8.699 -0.411 -5.533 1.00 0.00 C ATOM 0 H THR A 23 6.802 0.801 -7.493 1.00 0.00 H new ATOM 0 HA THR A 23 8.606 -0.991 -8.951 1.00 0.00 H new ATOM 0 HB THR A 23 10.076 -0.210 -7.177 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.128 -2.392 -6.098 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.497 -0.507 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.363 0.625 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.865 -1.052 -5.249 1.00 0.00 H new ATOM 353 N ILE A 24 7.167 -2.895 -8.342 1.00 0.00 N ATOM 354 CA ILE A 24 6.145 -3.922 -8.238 1.00 0.00 C ATOM 355 C ILE A 24 6.588 -4.975 -7.220 1.00 0.00 C ATOM 356 O ILE A 24 7.777 -5.270 -7.104 1.00 0.00 O ATOM 357 CB ILE A 24 5.822 -4.499 -9.618 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.858 -3.589 -10.381 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.291 -5.929 -9.504 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.133 -4.361 -11.485 1.00 0.00 C ATOM 0 H ILE A 24 8.005 -3.177 -8.850 1.00 0.00 H new ATOM 0 HA ILE A 24 5.212 -3.495 -7.870 1.00 0.00 H new ATOM 0 HB ILE A 24 6.746 -4.544 -10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.129 -3.165 -9.690 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.408 -2.755 -10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.069 -6.315 -10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.043 -6.559 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.382 -5.933 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.454 -3.691 -12.012 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.863 -4.763 -12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.565 -5.180 -11.044 1.00 0.00 H new ATOM 372 N VAL A 25 5.609 -5.512 -6.508 1.00 0.00 N ATOM 373 CA VAL A 25 5.883 -6.525 -5.503 1.00 0.00 C ATOM 374 C VAL A 25 4.800 -7.604 -5.564 1.00 0.00 C ATOM 375 O VAL A 25 3.683 -7.343 -6.009 1.00 0.00 O ATOM 376 CB VAL A 25 6.002 -5.875 -4.123 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.112 -4.823 -4.107 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.666 -5.270 -3.685 1.00 0.00 C ATOM 0 H VAL A 25 4.624 -5.265 -6.607 1.00 0.00 H new ATOM 0 HA VAL A 25 6.838 -7.011 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 25 6.268 -6.653 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.176 -4.376 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.063 -5.294 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.889 -4.048 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.778 -4.814 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.358 -4.511 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.910 -6.054 -3.638 1.00 0.00 H new ATOM 388 N ARG A 26 5.168 -8.793 -5.110 1.00 0.00 N ATOM 389 CA ARG A 26 4.241 -9.913 -5.108 1.00 0.00 C ATOM 390 C ARG A 26 3.715 -10.163 -3.693 1.00 0.00 C ATOM 391 O ARG A 26 4.457 -10.613 -2.821 1.00 0.00 O ATOM 392 CB ARG A 26 4.914 -11.185 -5.626 1.00 0.00 C ATOM 393 CG ARG A 26 4.286 -11.638 -6.946 1.00 0.00 C ATOM 394 CD ARG A 26 5.304 -12.388 -7.808 1.00 0.00 C ATOM 395 NE ARG A 26 4.613 -13.384 -8.657 1.00 0.00 N ATOM 396 CZ ARG A 26 5.242 -14.257 -9.455 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.581 -14.263 -9.519 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.533 -15.125 -10.189 1.00 0.00 N ATOM 0 H ARG A 26 6.095 -9.006 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 26 3.412 -9.659 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.979 -11.005 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.821 -11.978 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.430 -12.282 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.911 -10.772 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.853 -11.683 -8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.035 -12.886 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 26 3.594 -13.407 -8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.121 -13.603 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.060 -14.928 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.514 -15.121 -10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.012 -15.790 -10.797 1.00 0.00 H new ATOM 412 N VAL A 27 2.438 -9.861 -3.509 1.00 0.00 N ATOM 413 CA VAL A 27 1.804 -10.047 -2.215 1.00 0.00 C ATOM 414 C VAL A 27 0.403 -10.629 -2.418 1.00 0.00 C ATOM 415 O VAL A 27 -0.041 -10.807 -3.551 1.00 0.00 O ATOM 416 CB VAL A 27 1.796 -8.727 -1.441 1.00 0.00 C ATOM 417 CG1 VAL A 27 3.157 -8.466 -0.791 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.388 -7.563 -2.346 1.00 0.00 C ATOM 0 H VAL A 27 1.825 -9.489 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 27 2.368 -10.758 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 27 1.054 -8.808 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.125 -7.522 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.391 -9.276 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.925 -8.414 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.390 -6.637 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.094 -7.479 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.388 -7.742 -2.741 1.00 0.00 H new ATOM 428 N SER A 28 -0.254 -10.909 -1.302 1.00 0.00 N ATOM 429 CA SER A 28 -1.595 -11.467 -1.343 1.00 0.00 C ATOM 430 C SER A 28 -2.627 -10.341 -1.439 1.00 0.00 C ATOM 431 O SER A 28 -2.562 -9.368 -0.689 1.00 0.00 O ATOM 432 CB SER A 28 -1.868 -12.334 -0.113 1.00 0.00 C ATOM 433 OG SER A 28 -2.300 -13.645 -0.469 1.00 0.00 O ATOM 0 H SER A 28 0.117 -10.760 -0.364 1.00 0.00 H new ATOM 0 HA SER A 28 -1.675 -12.101 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.963 -12.402 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.629 -11.857 0.505 1.00 0.00 H new ATOM 0 HG SER A 28 -1.670 -14.305 -0.111 1.00 0.00 H new ATOM 439 N PRO A 29 -3.581 -10.516 -2.392 1.00 0.00 N ATOM 440 CA PRO A 29 -4.626 -9.527 -2.596 1.00 0.00 C ATOM 441 C PRO A 29 -5.674 -9.601 -1.484 1.00 0.00 C ATOM 442 O PRO A 29 -6.355 -8.615 -1.202 1.00 0.00 O ATOM 443 CB PRO A 29 -5.196 -9.835 -3.971 1.00 0.00 C ATOM 444 CG PRO A 29 -4.772 -11.259 -4.289 1.00 0.00 C ATOM 445 CD PRO A 29 -3.690 -11.656 -3.298 1.00 0.00 C ATOM 0 HA PRO A 29 -4.252 -8.504 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.282 -9.741 -3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.814 -9.138 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.623 -11.936 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.397 -11.327 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.960 -12.565 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.744 -11.853 -3.802 1.00 0.00 H new ATOM 453 N HIS A 30 -5.772 -10.777 -0.884 1.00 0.00 N ATOM 454 CA HIS A 30 -6.727 -10.992 0.191 1.00 0.00 C ATOM 455 C HIS A 30 -6.382 -10.084 1.372 1.00 0.00 C ATOM 456 O HIS A 30 -7.227 -9.325 1.844 1.00 0.00 O ATOM 457 CB HIS A 30 -6.786 -12.471 0.578 1.00 0.00 C ATOM 458 CG HIS A 30 -7.320 -13.370 -0.512 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.578 -13.209 -1.066 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.755 -14.439 -1.143 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.751 -14.145 -1.988 1.00 0.00 C ATOM 462 NE2 HIS A 30 -7.621 -14.906 -2.034 1.00 0.00 N ATOM 0 H HIS A 30 -5.206 -11.592 -1.121 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.728 -10.725 -0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.785 -12.805 0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.412 -12.580 1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.770 -14.838 -0.950 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.633 -14.281 -2.596 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.466 -15.703 -2.651 1.00 0.00 H new ATOM 470 N ALA A 31 -5.138 -10.191 1.817 1.00 0.00 N ATOM 471 CA ALA A 31 -4.671 -9.388 2.934 1.00 0.00 C ATOM 472 C ALA A 31 -5.012 -7.918 2.679 1.00 0.00 C ATOM 473 O ALA A 31 -5.035 -7.473 1.532 1.00 0.00 O ATOM 474 CB ALA A 31 -3.171 -9.613 3.133 1.00 0.00 C ATOM 0 H ALA A 31 -4.440 -10.822 1.424 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.170 -9.686 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.821 -9.010 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.986 -10.667 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.636 -9.322 2.229 1.00 0.00 H new ATOM 480 N SER A 32 -5.267 -7.206 3.766 1.00 0.00 N ATOM 481 CA SER A 32 -5.606 -5.796 3.674 1.00 0.00 C ATOM 482 C SER A 32 -4.329 -4.952 3.648 1.00 0.00 C ATOM 483 O SER A 32 -3.300 -5.362 4.182 1.00 0.00 O ATOM 484 CB SER A 32 -6.502 -5.367 4.838 1.00 0.00 C ATOM 485 OG SER A 32 -7.095 -6.484 5.494 1.00 0.00 O ATOM 0 H SER A 32 -5.246 -7.579 4.715 1.00 0.00 H new ATOM 0 HA SER A 32 -6.159 -5.637 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.915 -4.795 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.286 -4.706 4.468 1.00 0.00 H new ATOM 0 HG SER A 32 -7.658 -6.169 6.232 1.00 0.00 H new ATOM 491 N LEU A 33 -4.439 -3.789 3.023 1.00 0.00 N ATOM 492 CA LEU A 33 -3.307 -2.885 2.920 1.00 0.00 C ATOM 493 C LEU A 33 -2.707 -2.666 4.311 1.00 0.00 C ATOM 494 O LEU A 33 -1.513 -2.398 4.440 1.00 0.00 O ATOM 495 CB LEU A 33 -3.718 -1.589 2.218 1.00 0.00 C ATOM 496 CG LEU A 33 -3.938 -1.686 0.707 1.00 0.00 C ATOM 497 CD1 LEU A 33 -4.761 -0.502 0.195 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.606 -1.821 -0.034 1.00 0.00 C ATOM 0 H LEU A 33 -5.295 -3.452 2.583 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.525 -3.323 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.638 -1.227 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.951 -0.838 2.406 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.513 -2.590 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.903 -0.596 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.732 -0.493 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.235 0.428 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.791 -1.888 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.985 -0.950 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.092 -2.721 0.302 1.00 0.00 H new ATOM 510 N GLN A 34 -3.562 -2.790 5.315 1.00 0.00 N ATOM 511 CA GLN A 34 -3.131 -2.609 6.691 1.00 0.00 C ATOM 512 C GLN A 34 -2.016 -3.599 7.032 1.00 0.00 C ATOM 513 O GLN A 34 -1.079 -3.260 7.753 1.00 0.00 O ATOM 514 CB GLN A 34 -4.308 -2.754 7.658 1.00 0.00 C ATOM 515 CG GLN A 34 -3.820 -3.080 9.071 1.00 0.00 C ATOM 516 CD GLN A 34 -4.931 -2.860 10.099 1.00 0.00 C ATOM 517 OE1 GLN A 34 -6.063 -2.545 9.770 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.547 -3.043 11.359 1.00 0.00 N ATOM 0 H GLN A 34 -4.551 -3.014 5.203 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.738 -1.598 6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.887 -1.830 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.975 -3.542 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.481 -4.115 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.963 -2.453 9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.583 -3.306 11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.216 -2.920 12.119 1.00 0.00 H new ATOM 527 N GLU A 35 -2.154 -4.804 6.498 1.00 0.00 N ATOM 528 CA GLU A 35 -1.169 -5.846 6.737 1.00 0.00 C ATOM 529 C GLU A 35 -0.063 -5.783 5.682 1.00 0.00 C ATOM 530 O GLU A 35 1.049 -6.255 5.914 1.00 0.00 O ATOM 531 CB GLU A 35 -1.827 -7.227 6.760 1.00 0.00 C ATOM 532 CG GLU A 35 -2.352 -7.561 8.158 1.00 0.00 C ATOM 533 CD GLU A 35 -1.224 -8.070 9.059 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.852 -9.251 8.890 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.761 -7.266 9.896 1.00 0.00 O ATOM 0 H GLU A 35 -2.933 -5.082 5.901 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.720 -5.677 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.648 -7.255 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.106 -7.983 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.805 -6.675 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.134 -8.317 8.086 1.00 0.00 H new ATOM 542 N LEU A 36 -0.406 -5.196 4.545 1.00 0.00 N ATOM 543 CA LEU A 36 0.544 -5.065 3.453 1.00 0.00 C ATOM 544 C LEU A 36 1.208 -3.688 3.524 1.00 0.00 C ATOM 545 O LEU A 36 1.908 -3.285 2.596 1.00 0.00 O ATOM 546 CB LEU A 36 -0.137 -5.351 2.113 1.00 0.00 C ATOM 547 CG LEU A 36 -0.713 -6.758 1.941 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.484 -6.877 0.625 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.383 -7.818 2.061 1.00 0.00 C ATOM 0 H LEU A 36 -1.329 -4.805 4.356 1.00 0.00 H new ATOM 0 HA LEU A 36 1.337 -5.807 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.943 -4.630 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.585 -5.176 1.316 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.423 -6.937 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.883 -7.887 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.305 -6.160 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.814 -6.669 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.054 -8.809 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.135 -7.652 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.849 -7.750 3.044 1.00 0.00 H new ATOM 561 N ALA A 37 0.966 -3.006 4.633 1.00 0.00 N ATOM 562 CA ALA A 37 1.533 -1.683 4.837 1.00 0.00 C ATOM 563 C ALA A 37 3.050 -1.801 4.990 1.00 0.00 C ATOM 564 O ALA A 37 3.803 -1.092 4.324 1.00 0.00 O ATOM 565 CB ALA A 37 0.873 -1.026 6.051 1.00 0.00 C ATOM 0 H ALA A 37 0.385 -3.344 5.400 1.00 0.00 H new ATOM 0 HA ALA A 37 1.338 -1.045 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.298 -0.034 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.200 -0.938 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.050 -1.637 6.936 1.00 0.00 H new ATOM 571 N PRO A 38 3.466 -2.726 5.897 1.00 0.00 N ATOM 572 CA PRO A 38 4.880 -2.946 6.147 1.00 0.00 C ATOM 573 C PRO A 38 5.524 -3.729 5.001 1.00 0.00 C ATOM 574 O PRO A 38 6.624 -3.398 4.559 1.00 0.00 O ATOM 575 CB PRO A 38 4.935 -3.684 7.474 1.00 0.00 C ATOM 576 CG PRO A 38 3.544 -4.258 7.690 1.00 0.00 C ATOM 577 CD PRO A 38 2.604 -3.584 6.705 1.00 0.00 C ATOM 0 HA PRO A 38 5.447 -2.017 6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.684 -4.475 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.209 -3.009 8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.548 -5.337 7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.214 -4.083 8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.085 -4.317 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.839 -3.003 7.221 1.00 0.00 H new ATOM 585 N ILE A 39 4.812 -4.752 4.552 1.00 0.00 N ATOM 586 CA ILE A 39 5.301 -5.585 3.466 1.00 0.00 C ATOM 587 C ILE A 39 5.599 -4.706 2.249 1.00 0.00 C ATOM 588 O ILE A 39 6.459 -5.038 1.435 1.00 0.00 O ATOM 589 CB ILE A 39 4.317 -6.721 3.177 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.339 -7.763 4.298 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.588 -7.346 1.808 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.931 -8.009 4.845 1.00 0.00 C ATOM 0 H ILE A 39 3.900 -5.023 4.920 1.00 0.00 H new ATOM 0 HA ILE A 39 6.236 -6.068 3.748 1.00 0.00 H new ATOM 0 HB ILE A 39 3.311 -6.302 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.756 -8.698 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.991 -7.423 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.875 -8.150 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.481 -6.586 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.601 -7.747 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.974 -8.753 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.527 -7.078 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.287 -8.372 4.043 1.00 0.00 H new ATOM 604 N ILE A 40 4.871 -3.602 2.164 1.00 0.00 N ATOM 605 CA ILE A 40 5.047 -2.673 1.061 1.00 0.00 C ATOM 606 C ILE A 40 6.116 -1.644 1.432 1.00 0.00 C ATOM 607 O ILE A 40 7.158 -1.564 0.783 1.00 0.00 O ATOM 608 CB ILE A 40 3.706 -2.051 0.666 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.849 -3.048 -0.118 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.913 -0.745 -0.103 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.409 -2.550 -0.248 1.00 0.00 C ATOM 0 H ILE A 40 4.158 -3.330 2.841 1.00 0.00 H new ATOM 0 HA ILE A 40 5.403 -3.197 0.174 1.00 0.00 H new ATOM 0 HB ILE A 40 3.162 -1.805 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.276 -3.199 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.859 -4.015 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.944 -0.324 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.456 -0.037 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.486 -0.943 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.822 -3.277 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.977 -2.423 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.400 -1.594 -0.772 1.00 0.00 H new ATOM 623 N CYS A 41 5.821 -0.881 2.475 1.00 0.00 N ATOM 624 CA CYS A 41 6.745 0.140 2.940 1.00 0.00 C ATOM 625 C CYS A 41 8.136 -0.487 3.054 1.00 0.00 C ATOM 626 O CYS A 41 9.121 0.095 2.603 1.00 0.00 O ATOM 627 CB CYS A 41 6.286 0.756 4.264 1.00 0.00 C ATOM 628 SG CYS A 41 5.464 2.362 3.955 1.00 0.00 S ATOM 0 H CYS A 41 4.956 -0.949 3.011 1.00 0.00 H new ATOM 0 HA CYS A 41 6.776 0.961 2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.599 0.078 4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.141 0.897 4.925 1.00 0.00 H new ATOM 0 HG CYS A 41 4.563 2.571 4.869 1.00 0.00 H new ATOM 634 N SER A 42 8.172 -1.665 3.659 1.00 0.00 N ATOM 635 CA SER A 42 9.426 -2.376 3.838 1.00 0.00 C ATOM 636 C SER A 42 10.095 -2.606 2.481 1.00 0.00 C ATOM 637 O SER A 42 11.295 -2.378 2.330 1.00 0.00 O ATOM 638 CB SER A 42 9.206 -3.710 4.553 1.00 0.00 C ATOM 639 OG SER A 42 8.646 -3.534 5.852 1.00 0.00 O ATOM 0 H SER A 42 7.353 -2.145 4.031 1.00 0.00 H new ATOM 0 HA SER A 42 10.080 -1.765 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.545 -4.337 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.156 -4.238 4.636 1.00 0.00 H new ATOM 0 HG SER A 42 7.786 -3.070 5.777 1.00 0.00 H new ATOM 645 N LYS A 43 9.291 -3.053 1.529 1.00 0.00 N ATOM 646 CA LYS A 43 9.790 -3.316 0.190 1.00 0.00 C ATOM 647 C LYS A 43 10.376 -2.028 -0.393 1.00 0.00 C ATOM 648 O LYS A 43 11.260 -2.075 -1.247 1.00 0.00 O ATOM 649 CB LYS A 43 8.695 -3.941 -0.678 1.00 0.00 C ATOM 650 CG LYS A 43 8.530 -5.429 -0.364 1.00 0.00 C ATOM 651 CD LYS A 43 9.346 -6.288 -1.333 1.00 0.00 C ATOM 652 CE LYS A 43 8.828 -7.727 -1.359 1.00 0.00 C ATOM 653 NZ LYS A 43 9.827 -8.626 -1.980 1.00 0.00 N ATOM 0 H LYS A 43 8.297 -3.240 1.658 1.00 0.00 H new ATOM 0 HA LYS A 43 10.596 -4.049 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.751 -3.423 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.944 -3.813 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.849 -5.626 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.477 -5.703 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.295 -5.861 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.395 -6.281 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.611 -8.060 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.892 -7.773 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.460 -9.599 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.014 -8.317 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.710 -8.595 -1.432 1.00 0.00 H new ATOM 667 N CYS A 44 9.860 -0.908 0.092 1.00 0.00 N ATOM 668 CA CYS A 44 10.322 0.390 -0.370 1.00 0.00 C ATOM 669 C CYS A 44 11.090 1.060 0.770 1.00 0.00 C ATOM 670 O CYS A 44 11.288 2.274 0.760 1.00 0.00 O ATOM 671 CB CYS A 44 9.163 1.258 -0.866 1.00 0.00 C ATOM 672 SG CYS A 44 9.096 1.227 -2.695 1.00 0.00 S ATOM 0 H CYS A 44 9.127 -0.873 0.800 1.00 0.00 H new ATOM 0 HA CYS A 44 10.985 0.260 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.222 0.894 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.289 2.282 -0.516 1.00 0.00 H new ATOM 0 HG CYS A 44 9.175 2.441 -3.153 1.00 0.00 H new ATOM 678 N GLU A 45 11.502 0.240 1.726 1.00 0.00 N ATOM 679 CA GLU A 45 12.245 0.739 2.871 1.00 0.00 C ATOM 680 C GLU A 45 11.668 2.078 3.336 1.00 0.00 C ATOM 681 O GLU A 45 12.412 3.022 3.593 1.00 0.00 O ATOM 682 CB GLU A 45 13.734 0.868 2.545 1.00 0.00 C ATOM 683 CG GLU A 45 14.381 -0.510 2.386 1.00 0.00 C ATOM 684 CD GLU A 45 15.797 -0.388 1.819 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.724 -0.215 2.639 1.00 0.00 O ATOM 686 OE2 GLU A 45 15.921 -0.470 0.578 1.00 0.00 O ATOM 0 H GLU A 45 11.335 -0.766 1.731 1.00 0.00 H new ATOM 0 HA GLU A 45 12.146 0.020 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.861 1.442 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.237 1.421 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.414 -1.014 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.773 -1.127 1.725 1.00 0.00 H new ATOM 693 N PHE A 46 10.347 2.116 3.428 1.00 0.00 N ATOM 694 CA PHE A 46 9.661 3.323 3.858 1.00 0.00 C ATOM 695 C PHE A 46 9.258 3.230 5.331 1.00 0.00 C ATOM 696 O PHE A 46 9.563 2.245 6.001 1.00 0.00 O ATOM 697 CB PHE A 46 8.399 3.449 3.002 1.00 0.00 C ATOM 698 CG PHE A 46 8.558 4.369 1.791 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.794 4.611 1.277 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.463 4.946 1.227 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.941 5.465 0.153 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.610 5.800 0.102 1.00 0.00 C ATOM 703 CZ PHE A 46 8.846 6.042 -0.411 1.00 0.00 C ATOM 0 H PHE A 46 9.733 1.330 3.212 1.00 0.00 H new ATOM 0 HA PHE A 46 10.318 4.185 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.106 2.458 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.586 3.822 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.664 4.153 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.481 4.755 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.923 5.657 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.740 6.257 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.958 6.692 -1.266 1.00 0.00 H new ATOM 713 N ASP A 47 8.577 4.270 5.791 1.00 0.00 N ATOM 714 CA ASP A 47 8.128 4.318 7.172 1.00 0.00 C ATOM 715 C ASP A 47 6.600 4.267 7.210 1.00 0.00 C ATOM 716 O ASP A 47 5.934 5.203 6.770 1.00 0.00 O ATOM 717 CB ASP A 47 8.576 5.613 7.852 1.00 0.00 C ATOM 718 CG ASP A 47 9.890 5.516 8.630 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.929 5.316 7.965 1.00 0.00 O ATOM 720 OD2 ASP A 47 9.825 5.642 9.872 1.00 0.00 O ATOM 0 H ASP A 47 8.326 5.085 5.232 1.00 0.00 H new ATOM 0 HA ASP A 47 8.561 3.467 7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.678 6.388 7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.791 5.937 8.535 1.00 0.00 H new ATOM 725 N PRO A 48 6.075 3.136 7.753 1.00 0.00 N ATOM 726 CA PRO A 48 4.637 2.952 7.853 1.00 0.00 C ATOM 727 C PRO A 48 4.052 3.806 8.980 1.00 0.00 C ATOM 728 O PRO A 48 2.843 3.796 9.208 1.00 0.00 O ATOM 729 CB PRO A 48 4.447 1.461 8.077 1.00 0.00 C ATOM 730 CG PRO A 48 5.790 0.936 8.557 1.00 0.00 C ATOM 731 CD PRO A 48 6.833 2.007 8.283 1.00 0.00 C ATOM 0 HA PRO A 48 4.107 3.278 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.668 1.273 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.140 0.964 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.751 0.704 9.621 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.046 0.012 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.367 2.281 9.193 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.578 1.660 7.568 1.00 0.00 H new ATOM 739 N LEU A 49 4.937 4.524 9.655 1.00 0.00 N ATOM 740 CA LEU A 49 4.524 5.382 10.753 1.00 0.00 C ATOM 741 C LEU A 49 3.654 6.517 10.208 1.00 0.00 C ATOM 742 O LEU A 49 2.569 6.776 10.726 1.00 0.00 O ATOM 743 CB LEU A 49 5.741 5.865 11.543 1.00 0.00 C ATOM 744 CG LEU A 49 6.384 4.839 12.478 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.903 4.803 12.291 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.992 5.103 13.933 1.00 0.00 C ATOM 0 H LEU A 49 5.939 4.529 9.463 1.00 0.00 H new ATOM 0 HA LEU A 49 3.913 4.824 11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.497 6.206 10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.445 6.731 12.135 1.00 0.00 H new ATOM 0 HG LEU A 49 6.004 3.852 12.216 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.335 4.066 12.967 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.137 4.532 11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.320 5.786 12.511 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.462 4.360 14.577 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.325 6.099 14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.909 5.039 14.035 1.00 0.00 H new ATOM 758 N HIS A 50 4.163 7.163 9.169 1.00 0.00 N ATOM 759 CA HIS A 50 3.447 8.264 8.549 1.00 0.00 C ATOM 760 C HIS A 50 3.385 8.048 7.035 1.00 0.00 C ATOM 761 O HIS A 50 3.874 8.874 6.266 1.00 0.00 O ATOM 762 CB HIS A 50 4.075 9.606 8.931 1.00 0.00 C ATOM 763 CG HIS A 50 5.029 9.527 10.099 1.00 0.00 C ATOM 764 ND1 HIS A 50 4.733 10.051 11.345 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.274 8.979 10.197 1.00 0.00 C ATOM 766 CE1 HIS A 50 5.762 9.824 12.149 1.00 0.00 C ATOM 767 NE2 HIS A 50 6.716 9.160 11.436 1.00 0.00 N ATOM 0 H HIS A 50 5.063 6.945 8.741 1.00 0.00 H new ATOM 0 HA HIS A 50 2.422 8.290 8.920 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.606 10.006 8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.280 10.312 9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.810 8.482 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.833 10.114 13.187 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.620 8.853 11.795 1.00 0.00 H new ATOM 775 N THR A 51 2.780 6.934 6.653 1.00 0.00 N ATOM 776 CA THR A 51 2.648 6.598 5.245 1.00 0.00 C ATOM 777 C THR A 51 1.172 6.450 4.868 1.00 0.00 C ATOM 778 O THR A 51 0.408 5.801 5.581 1.00 0.00 O ATOM 779 CB THR A 51 3.472 5.337 4.980 1.00 0.00 C ATOM 780 OG1 THR A 51 4.792 5.825 4.758 1.00 0.00 O ATOM 781 CG2 THR A 51 3.098 4.660 3.660 1.00 0.00 C ATOM 0 H THR A 51 2.375 6.252 7.294 1.00 0.00 H new ATOM 0 HA THR A 51 3.035 7.395 4.610 1.00 0.00 H new ATOM 0 HB THR A 51 3.333 4.634 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.419 5.352 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.712 3.770 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.046 4.375 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.269 5.352 2.835 1.00 0.00 H new ATOM 789 N LEU A 52 0.817 7.063 3.749 1.00 0.00 N ATOM 790 CA LEU A 52 -0.554 7.007 3.268 1.00 0.00 C ATOM 791 C LEU A 52 -0.615 6.135 2.013 1.00 0.00 C ATOM 792 O LEU A 52 0.401 5.918 1.354 1.00 0.00 O ATOM 793 CB LEU A 52 -1.108 8.419 3.064 1.00 0.00 C ATOM 794 CG LEU A 52 -2.069 8.925 4.141 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.725 10.240 3.717 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.106 7.856 4.496 1.00 0.00 C ATOM 0 H LEU A 52 1.454 7.601 3.161 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.200 6.540 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.269 9.111 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.621 8.451 2.103 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.493 9.129 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.403 10.577 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.955 10.994 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.284 10.087 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.777 8.241 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.682 7.598 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.599 6.967 4.870 1.00 0.00 H new ATOM 808 N LEU A 53 -1.816 5.659 1.720 1.00 0.00 N ATOM 809 CA LEU A 53 -2.022 4.815 0.555 1.00 0.00 C ATOM 810 C LEU A 53 -3.083 5.449 -0.347 1.00 0.00 C ATOM 811 O LEU A 53 -4.275 5.384 -0.050 1.00 0.00 O ATOM 812 CB LEU A 53 -2.354 3.384 0.982 1.00 0.00 C ATOM 813 CG LEU A 53 -1.299 2.678 1.837 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.818 1.331 2.346 1.00 0.00 C ATOM 815 CD2 LEU A 53 0.018 2.532 1.073 1.00 0.00 C ATOM 0 H LEU A 53 -2.656 5.841 2.269 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.106 4.744 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.292 3.400 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.524 2.788 0.085 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.097 3.297 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.049 0.850 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.710 1.490 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.065 0.692 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.750 2.027 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.149 1.946 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.392 3.519 0.801 1.00 0.00 H new ATOM 827 N LEU A 54 -2.611 6.048 -1.431 1.00 0.00 N ATOM 828 CA LEU A 54 -3.504 6.693 -2.378 1.00 0.00 C ATOM 829 C LEU A 54 -3.761 5.750 -3.554 1.00 0.00 C ATOM 830 O LEU A 54 -2.974 4.839 -3.807 1.00 0.00 O ATOM 831 CB LEU A 54 -2.950 8.058 -2.793 1.00 0.00 C ATOM 832 CG LEU A 54 -2.642 9.031 -1.654 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.922 9.450 -0.929 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.606 8.442 -0.694 1.00 0.00 C ATOM 0 H LEU A 54 -1.622 6.100 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.470 6.895 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.036 7.898 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.667 8.530 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.206 9.933 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.674 10.142 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.596 9.939 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.410 8.568 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.405 9.154 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.991 7.516 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.683 8.236 -1.236 1.00 0.00 H new ATOM 846 N LYS A 55 -4.865 6.000 -4.242 1.00 0.00 N ATOM 847 CA LYS A 55 -5.236 5.184 -5.386 1.00 0.00 C ATOM 848 C LYS A 55 -4.084 5.172 -6.393 1.00 0.00 C ATOM 849 O LYS A 55 -3.691 4.113 -6.880 1.00 0.00 O ATOM 850 CB LYS A 55 -6.564 5.661 -5.977 1.00 0.00 C ATOM 851 CG LYS A 55 -7.680 5.605 -4.933 1.00 0.00 C ATOM 852 CD LYS A 55 -8.869 6.471 -5.354 1.00 0.00 C ATOM 853 CE LYS A 55 -10.035 5.605 -5.835 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.793 6.300 -6.899 1.00 0.00 N ATOM 0 H LYS A 55 -5.515 6.757 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.403 4.152 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.457 6.681 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.830 5.040 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.006 4.574 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.300 5.947 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.191 7.086 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.564 7.151 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.658 4.654 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.696 5.378 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.581 5.698 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.169 7.196 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.163 6.495 -7.703 1.00 0.00 H new ATOM 868 N ASP A 56 -3.574 6.362 -6.675 1.00 0.00 N ATOM 869 CA ASP A 56 -2.475 6.502 -7.615 1.00 0.00 C ATOM 870 C ASP A 56 -1.871 7.902 -7.482 1.00 0.00 C ATOM 871 O ASP A 56 -2.451 8.773 -6.836 1.00 0.00 O ATOM 872 CB ASP A 56 -2.958 6.330 -9.057 1.00 0.00 C ATOM 873 CG ASP A 56 -3.974 5.206 -9.269 1.00 0.00 C ATOM 874 OD1 ASP A 56 -3.523 4.045 -9.369 1.00 0.00 O ATOM 875 OD2 ASP A 56 -5.179 5.534 -9.326 1.00 0.00 O ATOM 0 H ASP A 56 -3.902 7.238 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.737 5.733 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.402 7.268 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.093 6.143 -9.694 1.00 0.00 H new ATOM 880 N TYR A 57 -0.714 8.073 -8.105 1.00 0.00 N ATOM 881 CA TYR A 57 -0.025 9.352 -8.064 1.00 0.00 C ATOM 882 C TYR A 57 -0.964 10.493 -8.462 1.00 0.00 C ATOM 883 O TYR A 57 -0.937 11.563 -7.856 1.00 0.00 O ATOM 884 CB TYR A 57 1.104 9.256 -9.092 1.00 0.00 C ATOM 885 CG TYR A 57 1.561 10.607 -9.643 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.502 11.350 -8.959 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.031 11.085 -10.825 1.00 0.00 C ATOM 888 CE1 TYR A 57 2.932 12.622 -9.479 1.00 0.00 C ATOM 889 CE2 TYR A 57 1.461 12.357 -11.345 1.00 0.00 C ATOM 890 CZ TYR A 57 2.390 13.063 -10.646 1.00 0.00 C ATOM 891 OH TYR A 57 2.796 14.265 -11.136 1.00 0.00 O ATOM 0 H TYR A 57 -0.237 7.348 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 57 0.341 9.559 -7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.957 8.755 -8.634 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.774 8.630 -9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.916 10.977 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.294 10.505 -11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.668 13.213 -8.954 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.055 12.742 -12.269 1.00 0.00 H new ATOM 0 HH TYR A 57 2.326 14.452 -11.976 1.00 0.00 H new ATOM 901 N GLN A 58 -1.771 10.226 -9.477 1.00 0.00 N ATOM 902 CA GLN A 58 -2.717 11.217 -9.963 1.00 0.00 C ATOM 903 C GLN A 58 -3.751 11.538 -8.882 1.00 0.00 C ATOM 904 O GLN A 58 -3.771 12.645 -8.346 1.00 0.00 O ATOM 905 CB GLN A 58 -3.396 10.743 -11.249 1.00 0.00 C ATOM 906 CG GLN A 58 -3.823 11.931 -12.114 1.00 0.00 C ATOM 907 CD GLN A 58 -5.276 11.783 -12.570 1.00 0.00 C ATOM 908 OE1 GLN A 58 -5.629 10.892 -13.324 1.00 0.00 O ATOM 909 NE2 GLN A 58 -6.096 12.704 -12.071 1.00 0.00 N ATOM 0 H GLN A 58 -1.790 9.337 -9.977 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.169 12.130 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.713 10.106 -11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.267 10.137 -11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.708 12.856 -11.550 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.171 12.005 -12.984 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.734 13.423 -11.444 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.086 12.691 -12.315 1.00 0.00 H new ATOM 918 N SER A 59 -4.586 10.550 -8.595 1.00 0.00 N ATOM 919 CA SER A 59 -5.620 10.713 -7.587 1.00 0.00 C ATOM 920 C SER A 59 -5.002 11.204 -6.277 1.00 0.00 C ATOM 921 O SER A 59 -3.785 11.157 -6.104 1.00 0.00 O ATOM 922 CB SER A 59 -6.378 9.403 -7.359 1.00 0.00 C ATOM 923 OG SER A 59 -6.920 8.882 -8.569 1.00 0.00 O ATOM 0 H SER A 59 -4.568 9.634 -9.043 1.00 0.00 H new ATOM 0 HA SER A 59 -6.332 11.456 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.706 8.668 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.183 9.570 -6.643 1.00 0.00 H new ATOM 0 HG SER A 59 -7.394 8.045 -8.381 1.00 0.00 H new ATOM 929 N GLN A 60 -5.869 11.665 -5.387 1.00 0.00 N ATOM 930 CA GLN A 60 -5.424 12.164 -4.097 1.00 0.00 C ATOM 931 C GLN A 60 -6.323 11.629 -2.981 1.00 0.00 C ATOM 932 O GLN A 60 -6.326 12.162 -1.873 1.00 0.00 O ATOM 933 CB GLN A 60 -5.386 13.694 -4.085 1.00 0.00 C ATOM 934 CG GLN A 60 -4.300 14.223 -5.024 1.00 0.00 C ATOM 935 CD GLN A 60 -4.560 15.684 -5.395 1.00 0.00 C ATOM 936 OE1 GLN A 60 -5.014 16.484 -4.594 1.00 0.00 O ATOM 937 NE2 GLN A 60 -4.247 15.987 -6.652 1.00 0.00 N ATOM 0 H GLN A 60 -6.878 11.703 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.409 11.806 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.356 14.088 -4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.200 14.049 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.325 14.134 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.268 13.615 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.871 15.269 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.383 16.937 -6.997 1.00 0.00 H new ATOM 946 N GLU A 61 -7.065 10.583 -3.313 1.00 0.00 N ATOM 947 CA GLU A 61 -7.967 9.971 -2.353 1.00 0.00 C ATOM 948 C GLU A 61 -7.260 8.836 -1.609 1.00 0.00 C ATOM 949 O GLU A 61 -6.580 8.015 -2.224 1.00 0.00 O ATOM 950 CB GLU A 61 -9.239 9.467 -3.039 1.00 0.00 C ATOM 951 CG GLU A 61 -10.390 10.458 -2.854 1.00 0.00 C ATOM 952 CD GLU A 61 -11.546 10.138 -3.804 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.981 8.966 -3.795 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.969 11.073 -4.518 1.00 0.00 O ATOM 0 H GLU A 61 -7.060 10.144 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.261 10.729 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.049 9.319 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.519 8.497 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.742 10.424 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.035 11.472 -3.036 1.00 0.00 H new ATOM 961 N PRO A 62 -7.448 8.826 -0.262 1.00 0.00 N ATOM 962 CA PRO A 62 -6.836 7.806 0.571 1.00 0.00 C ATOM 963 C PRO A 62 -7.564 6.468 0.425 1.00 0.00 C ATOM 964 O PRO A 62 -8.781 6.435 0.253 1.00 0.00 O ATOM 965 CB PRO A 62 -6.898 8.363 1.984 1.00 0.00 C ATOM 966 CG PRO A 62 -7.952 9.458 1.955 1.00 0.00 C ATOM 967 CD PRO A 62 -8.247 9.782 0.499 1.00 0.00 C ATOM 0 HA PRO A 62 -5.806 7.593 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.163 7.585 2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.930 8.761 2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.858 9.129 2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.596 10.345 2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.309 9.676 0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.972 10.809 0.258 1.00 0.00 H new ATOM 975 N LEU A 63 -6.787 5.397 0.497 1.00 0.00 N ATOM 976 CA LEU A 63 -7.342 4.060 0.374 1.00 0.00 C ATOM 977 C LEU A 63 -7.690 3.527 1.765 1.00 0.00 C ATOM 978 O LEU A 63 -7.026 3.860 2.745 1.00 0.00 O ATOM 979 CB LEU A 63 -6.391 3.155 -0.411 1.00 0.00 C ATOM 980 CG LEU A 63 -6.048 3.611 -1.831 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.833 2.856 -2.371 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.261 3.484 -2.755 1.00 0.00 C ATOM 0 H LEU A 63 -5.777 5.428 0.639 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.268 4.084 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.463 3.061 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.832 2.160 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.780 4.667 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.611 3.199 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.973 3.042 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.047 1.787 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.991 3.814 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.584 2.444 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.074 4.103 -2.376 1.00 0.00 H new ATOM 994 N ASP A 64 -8.731 2.709 1.807 1.00 0.00 N ATOM 995 CA ASP A 64 -9.176 2.127 3.062 1.00 0.00 C ATOM 996 C ASP A 64 -8.372 0.855 3.342 1.00 0.00 C ATOM 997 O ASP A 64 -8.554 -0.159 2.671 1.00 0.00 O ATOM 998 CB ASP A 64 -10.656 1.746 2.999 1.00 0.00 C ATOM 999 CG ASP A 64 -11.591 2.646 3.809 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.779 2.339 5.005 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.096 3.622 3.213 1.00 0.00 O ATOM 0 H ASP A 64 -9.280 2.435 0.992 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.028 2.867 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.975 1.760 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.767 0.721 3.352 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.501 0.952 4.336 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.668 -0.178 4.714 1.00 0.00 C ATOM 1008 C LEU A 65 -7.559 -1.388 5.002 1.00 0.00 C ATOM 1009 O LEU A 65 -7.343 -2.467 4.454 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.748 0.200 5.876 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.889 1.449 5.672 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.172 1.839 6.967 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.911 1.259 4.511 1.00 0.00 C ATOM 0 H LEU A 65 -7.354 1.795 4.891 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.007 -0.457 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.361 0.346 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.087 -0.642 6.079 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.547 2.276 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.568 2.730 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.909 2.045 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.527 1.020 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.313 2.162 4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.255 0.415 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.468 1.065 3.594 1.00 0.00 H new ATOM 1025 N THR A 66 -8.542 -1.167 5.863 1.00 0.00 N ATOM 1026 CA THR A 66 -9.466 -2.226 6.232 1.00 0.00 C ATOM 1027 C THR A 66 -9.926 -2.989 4.988 1.00 0.00 C ATOM 1028 O THR A 66 -10.249 -4.173 5.066 1.00 0.00 O ATOM 1029 CB THR A 66 -10.617 -1.596 7.019 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.641 -2.587 6.989 1.00 0.00 O ATOM 1031 CG2 THR A 66 -11.236 -0.399 6.295 1.00 0.00 C ATOM 0 H THR A 66 -8.719 -0.270 6.316 1.00 0.00 H new ATOM 0 HA THR A 66 -8.985 -2.967 6.870 1.00 0.00 H new ATOM 0 HB THR A 66 -10.257 -1.281 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.425 -2.262 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.048 0.010 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.476 0.367 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.627 -0.720 5.329 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.942 -2.279 3.870 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.358 -2.874 2.611 1.00 0.00 C ATOM 1041 C LYS A 67 -9.152 -3.539 1.944 1.00 0.00 C ATOM 1042 O LYS A 67 -8.034 -3.034 2.029 1.00 0.00 O ATOM 1043 CB LYS A 67 -11.052 -1.833 1.729 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.263 -1.231 2.443 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.568 -1.804 1.887 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.407 -2.437 3.000 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.569 -1.579 3.324 1.00 0.00 N ATOM 0 H LYS A 67 -9.674 -1.297 3.809 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.098 -3.655 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.348 -1.042 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.369 -2.296 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.198 -1.435 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.258 -0.147 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.139 -1.013 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.346 -2.551 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.751 -3.423 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.794 -2.580 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.128 -2.023 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.234 -0.647 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.162 -1.464 2.478 1.00 0.00 H new ATOM 1061 N SER A 68 -9.420 -4.663 1.295 1.00 0.00 N ATOM 1062 CA SER A 68 -8.371 -5.402 0.614 1.00 0.00 C ATOM 1063 C SER A 68 -8.301 -4.978 -0.854 1.00 0.00 C ATOM 1064 O SER A 68 -9.187 -4.281 -1.346 1.00 0.00 O ATOM 1065 CB SER A 68 -8.604 -6.911 0.719 1.00 0.00 C ATOM 1066 OG SER A 68 -9.985 -7.230 0.861 1.00 0.00 O ATOM 0 H SER A 68 -10.349 -5.080 1.227 1.00 0.00 H new ATOM 0 HA SER A 68 -7.422 -5.173 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.208 -7.401 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.052 -7.304 1.572 1.00 0.00 H new ATOM 0 HG SER A 68 -10.091 -8.202 0.923 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.238 -5.415 -1.513 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.040 -5.089 -2.915 1.00 0.00 C ATOM 1074 C LEU A 69 -8.242 -5.582 -3.724 1.00 0.00 C ATOM 1075 O LEU A 69 -8.631 -4.955 -4.708 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.700 -5.639 -3.409 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.450 -4.928 -2.888 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.266 -3.571 -3.570 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.487 -4.802 -1.363 1.00 0.00 C ATOM 0 H LEU A 69 -6.505 -5.992 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.985 -4.009 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.637 -6.691 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.691 -5.595 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.581 -5.536 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.370 -3.087 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.163 -3.715 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.134 -2.943 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.587 -4.293 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.365 -4.228 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.536 -5.795 -0.917 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.797 -6.699 -3.278 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.947 -7.283 -3.947 1.00 0.00 C ATOM 1093 C ASN A 70 -11.163 -6.377 -3.745 1.00 0.00 C ATOM 1094 O ASN A 70 -11.917 -6.124 -4.684 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.281 -8.659 -3.369 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.054 -9.574 -3.388 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -8.116 -9.413 -2.624 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.114 -10.540 -4.299 1.00 0.00 N ATOM 0 H ASN A 70 -8.471 -7.216 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.705 -7.386 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.642 -8.550 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.087 -9.114 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.345 -11.204 -4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.929 -10.618 -4.907 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.318 -5.914 -2.513 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.430 -5.042 -2.175 1.00 0.00 C ATOM 1107 C ASP A 71 -12.280 -3.718 -2.927 1.00 0.00 C ATOM 1108 O ASP A 71 -13.221 -3.255 -3.569 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.454 -4.735 -0.676 1.00 0.00 C ATOM 1110 CG ASP A 71 -13.850 -4.594 -0.068 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.700 -3.966 -0.736 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -14.036 -5.117 1.052 1.00 0.00 O ATOM 0 H ASP A 71 -10.692 -6.127 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.354 -5.550 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.923 -5.528 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.903 -3.811 -0.501 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.090 -3.145 -2.821 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.805 -1.883 -3.482 1.00 0.00 C ATOM 1119 C LEU A 72 -10.859 -2.083 -4.998 1.00 0.00 C ATOM 1120 O LEU A 72 -11.581 -1.374 -5.697 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.479 -1.305 -2.985 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.478 -0.765 -1.553 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.061 -0.746 -0.976 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.143 0.611 -1.485 1.00 0.00 C ATOM 0 H LEU A 72 -10.312 -3.532 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.563 -1.141 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.716 -2.080 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.182 -0.499 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.070 -1.439 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.088 -0.358 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.658 -1.759 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.426 -0.108 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.129 0.972 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.600 1.309 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.175 0.534 -1.828 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.084 -3.053 -5.463 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.034 -3.355 -6.883 1.00 0.00 C ATOM 1138 C GLY A 73 -8.978 -2.501 -7.588 1.00 0.00 C ATOM 1139 O GLY A 73 -9.110 -2.200 -8.774 1.00 0.00 O ATOM 0 H GLY A 73 -9.486 -3.639 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.807 -4.412 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.011 -3.175 -7.331 1.00 0.00 H new ATOM 1143 N LEU A 74 -7.955 -2.136 -6.830 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.878 -1.323 -7.368 1.00 0.00 C ATOM 1145 C LEU A 74 -5.576 -2.127 -7.342 1.00 0.00 C ATOM 1146 O LEU A 74 -5.094 -2.500 -6.274 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.791 0.011 -6.624 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.065 0.860 -6.618 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.934 2.038 -5.651 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.425 1.317 -8.033 1.00 0.00 C ATOM 0 H LEU A 74 -7.849 -2.388 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.076 -1.069 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.507 -0.190 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.988 0.600 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.887 0.240 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.852 2.625 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.759 1.663 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.097 2.667 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.334 1.918 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.609 1.914 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.589 0.445 -8.666 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.045 -2.370 -8.531 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.809 -3.123 -8.659 1.00 0.00 C ATOM 1164 C ARG A 75 -2.604 -2.187 -8.550 1.00 0.00 C ATOM 1165 O ARG A 75 -1.471 -2.594 -8.806 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.751 -3.865 -9.996 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.220 -5.313 -9.840 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.063 -6.221 -9.417 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.551 -6.967 -10.589 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.288 -7.813 -11.321 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.573 -8.028 -11.007 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -2.740 -8.446 -12.367 1.00 0.00 N ATOM 0 H ARG A 75 -5.448 -2.059 -9.415 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.781 -3.853 -7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.376 -3.353 -10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.731 -3.849 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.017 -5.363 -9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.639 -5.667 -10.782 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.264 -5.625 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.399 -6.919 -8.650 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.576 -6.828 -10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.991 -7.547 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.133 -8.672 -11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.762 -8.284 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.301 -9.090 -12.924 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.888 -0.949 -8.171 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.841 0.048 -8.026 1.00 0.00 C ATOM 1188 C GLU A 76 -2.172 1.001 -6.875 1.00 0.00 C ATOM 1189 O GLU A 76 -3.339 1.184 -6.532 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.632 0.818 -9.332 1.00 0.00 C ATOM 1191 CG GLU A 76 -0.758 0.022 -10.303 1.00 0.00 C ATOM 1192 CD GLU A 76 -1.519 -0.296 -11.592 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.576 -0.953 -11.479 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -1.026 0.125 -12.660 1.00 0.00 O ATOM 0 H GLU A 76 -3.828 -0.614 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.908 -0.465 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.597 1.027 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.164 1.780 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.141 0.591 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.434 -0.905 -9.830 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.124 1.583 -6.311 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.288 2.512 -5.206 1.00 0.00 C ATOM 1203 C LEU A 77 -0.022 3.359 -5.065 1.00 0.00 C ATOM 1204 O LEU A 77 0.991 3.078 -5.704 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.672 1.762 -3.929 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.828 0.531 -3.594 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.015 0.755 -2.317 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.700 -0.723 -3.505 1.00 0.00 C ATOM 0 H LEU A 77 -0.158 1.429 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.111 3.199 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.613 2.457 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.714 1.452 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.117 0.373 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.576 -0.135 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.650 1.608 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.691 0.952 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.076 -1.584 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.450 -0.590 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.197 -0.889 -4.461 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.121 4.378 -4.224 1.00 0.00 N ATOM 1221 CA TYR A 78 1.004 5.268 -3.991 1.00 0.00 C ATOM 1222 C TYR A 78 1.233 5.481 -2.494 1.00 0.00 C ATOM 1223 O TYR A 78 0.287 5.462 -1.708 1.00 0.00 O ATOM 1224 CB TYR A 78 0.624 6.604 -4.632 1.00 0.00 C ATOM 1225 CG TYR A 78 1.589 7.746 -4.307 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.728 7.924 -5.066 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.320 8.599 -3.256 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.637 8.999 -4.760 1.00 0.00 C ATOM 1229 CE2 TYR A 78 2.228 9.674 -2.951 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.342 9.821 -3.718 1.00 0.00 C ATOM 1231 OH TYR A 78 4.200 10.836 -3.430 1.00 0.00 O ATOM 0 H TYR A 78 -0.963 4.607 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 78 1.919 4.849 -4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.579 6.477 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.377 6.882 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.938 7.257 -5.889 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.429 8.460 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.532 9.149 -5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.029 10.349 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 78 3.862 11.342 -2.662 1.00 0.00 H new ATOM 1241 N ALA A 79 2.496 5.678 -2.143 1.00 0.00 N ATOM 1242 CA ALA A 79 2.862 5.894 -0.754 1.00 0.00 C ATOM 1243 C ALA A 79 3.201 7.371 -0.544 1.00 0.00 C ATOM 1244 O ALA A 79 4.211 7.858 -1.050 1.00 0.00 O ATOM 1245 CB ALA A 79 4.024 4.971 -0.382 1.00 0.00 C ATOM 0 H ALA A 79 3.278 5.692 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 79 2.028 5.650 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.298 5.133 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.723 3.933 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.880 5.188 -1.021 1.00 0.00 H new ATOM 1251 N MET A 80 2.337 8.043 0.203 1.00 0.00 N ATOM 1252 CA MET A 80 2.532 9.455 0.486 1.00 0.00 C ATOM 1253 C MET A 80 2.996 9.666 1.929 1.00 0.00 C ATOM 1254 O MET A 80 2.409 9.117 2.860 1.00 0.00 O ATOM 1255 CB MET A 80 1.220 10.208 0.256 1.00 0.00 C ATOM 1256 CG MET A 80 1.463 11.716 0.158 1.00 0.00 C ATOM 1257 SD MET A 80 0.062 12.604 0.818 1.00 0.00 S ATOM 1258 CE MET A 80 -1.194 12.115 -0.353 1.00 0.00 C ATOM 0 H MET A 80 1.500 7.636 0.621 1.00 0.00 H new ATOM 0 HA MET A 80 3.303 9.837 -0.183 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.748 9.852 -0.660 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.529 10.000 1.073 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.365 11.984 0.707 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.627 12.000 -0.882 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.726 12.998 -0.706 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.726 11.611 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.897 11.436 0.130 1.00 0.00 H new ATOM 1268 N ASP A 81 4.044 10.464 2.069 1.00 0.00 N ATOM 1269 CA ASP A 81 4.594 10.754 3.382 1.00 0.00 C ATOM 1270 C ASP A 81 4.076 12.113 3.857 1.00 0.00 C ATOM 1271 O ASP A 81 4.617 13.153 3.483 1.00 0.00 O ATOM 1272 CB ASP A 81 6.122 10.819 3.338 1.00 0.00 C ATOM 1273 CG ASP A 81 6.803 10.948 4.702 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.264 10.359 5.663 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.848 11.633 4.752 1.00 0.00 O ATOM 0 H ASP A 81 4.527 10.919 1.294 1.00 0.00 H new ATOM 0 HA ASP A 81 4.287 9.957 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.495 9.921 2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.417 11.667 2.720 1.00 0.00 H new ATOM 1280 N VAL A 82 3.035 12.061 4.675 1.00 0.00 N ATOM 1281 CA VAL A 82 2.438 13.275 5.205 1.00 0.00 C ATOM 1282 C VAL A 82 3.296 13.798 6.359 1.00 0.00 C ATOM 1283 O VAL A 82 3.423 15.007 6.544 1.00 0.00 O ATOM 1284 CB VAL A 82 0.987 13.011 5.611 1.00 0.00 C ATOM 1285 CG1 VAL A 82 0.124 12.694 4.388 1.00 0.00 C ATOM 1286 CG2 VAL A 82 0.903 11.889 6.647 1.00 0.00 C ATOM 0 H VAL A 82 2.590 11.197 4.984 1.00 0.00 H new ATOM 0 HA VAL A 82 2.411 14.052 4.441 1.00 0.00 H new ATOM 0 HB VAL A 82 0.597 13.920 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.903 12.510 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.146 13.538 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.513 11.807 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.139 11.722 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.320 10.974 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.468 12.171 7.535 1.00 0.00 H new ATOM 1296 N ASN A 83 3.863 12.861 7.105 1.00 0.00 N ATOM 1297 CA ASN A 83 4.705 13.212 8.236 1.00 0.00 C ATOM 1298 C ASN A 83 4.081 14.392 8.984 1.00 0.00 C ATOM 1299 O ASN A 83 4.594 15.509 8.926 1.00 0.00 O ATOM 1300 CB ASN A 83 6.102 13.631 7.773 1.00 0.00 C ATOM 1301 CG ASN A 83 6.998 13.964 8.967 1.00 0.00 C ATOM 1302 OD1 ASN A 83 6.722 13.609 10.102 1.00 0.00 O ATOM 1303 ND2 ASN A 83 8.084 14.663 8.650 1.00 0.00 N ATOM 0 H ASN A 83 3.756 11.859 6.948 1.00 0.00 H new ATOM 0 HA ASN A 83 4.786 12.337 8.881 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.552 12.828 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.027 14.498 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.746 14.934 9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.255 14.928 7.680 1.00 0.00 H new ATOM 1310 N ARG A 84 2.984 14.104 9.668 1.00 0.00 N ATOM 1311 CA ARG A 84 2.285 15.127 10.427 1.00 0.00 C ATOM 1312 C ARG A 84 2.788 15.153 11.872 1.00 0.00 C ATOM 1313 O ARG A 84 2.138 14.616 12.768 1.00 0.00 O ATOM 1314 CB ARG A 84 0.775 14.880 10.424 1.00 0.00 C ATOM 1315 CG ARG A 84 0.108 15.582 9.239 1.00 0.00 C ATOM 1316 CD ARG A 84 -0.968 16.560 9.717 1.00 0.00 C ATOM 1317 NE ARG A 84 -2.312 16.035 9.385 1.00 0.00 N ATOM 1318 CZ ARG A 84 -3.445 16.741 9.506 1.00 0.00 C ATOM 1319 NH1 ARG A 84 -3.403 18.004 9.951 1.00 0.00 N ATOM 1320 NH2 ARG A 84 -4.619 16.184 9.182 1.00 0.00 N ATOM 0 H ARG A 84 2.562 13.177 9.713 1.00 0.00 H new ATOM 0 HA ARG A 84 2.485 16.087 9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.578 13.809 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.342 15.241 11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.859 16.117 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.338 14.840 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.883 16.710 10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.822 17.533 9.247 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.380 15.076 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.509 18.428 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.265 18.541 10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.651 15.222 8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.481 16.721 9.274 1.00 0.00 H new ATOM 1334 N GLU A 85 3.939 15.782 12.053 1.00 0.00 N ATOM 1335 CA GLU A 85 4.536 15.885 13.374 1.00 0.00 C ATOM 1336 C GLU A 85 5.087 14.527 13.815 1.00 0.00 C ATOM 1337 O GLU A 85 6.300 14.339 13.886 1.00 0.00 O ATOM 1338 CB GLU A 85 3.528 16.424 14.391 1.00 0.00 C ATOM 1339 CG GLU A 85 4.211 17.344 15.405 1.00 0.00 C ATOM 1340 CD GLU A 85 4.231 16.708 16.796 1.00 0.00 C ATOM 1341 OE1 GLU A 85 4.574 15.508 16.866 1.00 0.00 O ATOM 1342 OE2 GLU A 85 3.904 17.435 17.758 1.00 0.00 O ATOM 0 H GLU A 85 4.475 16.226 11.307 1.00 0.00 H new ATOM 0 HA GLU A 85 5.364 16.592 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.740 16.970 13.873 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.051 15.593 14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.231 17.553 15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.687 18.299 15.445 1.00 0.00 H new ATOM 1349 N SER A 86 4.168 13.616 14.099 1.00 0.00 N ATOM 1350 CA SER A 86 4.546 12.281 14.531 1.00 0.00 C ATOM 1351 C SER A 86 3.326 11.358 14.506 1.00 0.00 C ATOM 1352 O SER A 86 2.205 11.811 14.282 1.00 0.00 O ATOM 1353 CB SER A 86 5.162 12.309 15.931 1.00 0.00 C ATOM 1354 OG SER A 86 5.699 11.043 16.304 1.00 0.00 O ATOM 0 H SER A 86 3.162 13.776 14.038 1.00 0.00 H new ATOM 0 HA SER A 86 5.298 11.898 13.841 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.950 13.061 15.965 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.404 12.609 16.655 1.00 0.00 H new ATOM 0 HG SER A 86 6.084 11.103 17.203 1.00 0.00 H new ATOM 1360 N GLY A 87 3.586 10.080 14.740 1.00 0.00 N ATOM 1361 CA GLY A 87 2.524 9.089 14.748 1.00 0.00 C ATOM 1362 C GLY A 87 2.480 8.343 16.082 1.00 0.00 C ATOM 1363 O GLY A 87 3.409 7.609 16.419 1.00 0.00 O ATOM 0 H GLY A 87 4.517 9.708 14.926 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.566 9.576 14.568 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.678 8.379 13.935 1.00 0.00 H new ATOM 1367 N PRO A 88 1.362 8.560 16.826 1.00 0.00 N ATOM 1368 CA PRO A 88 1.185 7.916 18.117 1.00 0.00 C ATOM 1369 C PRO A 88 0.827 6.438 17.947 1.00 0.00 C ATOM 1370 O PRO A 88 0.078 6.077 17.041 1.00 0.00 O ATOM 1371 CB PRO A 88 0.094 8.716 18.809 1.00 0.00 C ATOM 1372 CG PRO A 88 -0.621 9.485 17.710 1.00 0.00 C ATOM 1373 CD PRO A 88 0.242 9.422 16.460 1.00 0.00 C ATOM 0 HA PRO A 88 2.097 7.912 18.714 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.596 8.059 19.338 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.518 9.395 19.549 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.603 9.052 17.518 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.782 10.520 18.011 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.313 9.013 15.616 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.585 10.414 16.165 1.00 0.00 H new ATOM 1381 N SER A 89 1.378 5.623 18.835 1.00 0.00 N ATOM 1382 CA SER A 89 1.126 4.193 18.795 1.00 0.00 C ATOM 1383 C SER A 89 0.166 3.799 19.919 1.00 0.00 C ATOM 1384 O SER A 89 -0.066 4.578 20.843 1.00 0.00 O ATOM 1385 CB SER A 89 2.430 3.400 18.909 1.00 0.00 C ATOM 1386 OG SER A 89 2.888 2.943 17.640 1.00 0.00 O ATOM 0 H SER A 89 1.998 5.926 19.586 1.00 0.00 H new ATOM 0 HA SER A 89 0.669 3.953 17.835 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.196 4.025 19.367 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.279 2.546 19.569 1.00 0.00 H new ATOM 0 HG SER A 89 3.723 2.443 17.754 1.00 0.00 H new ATOM 1392 N SER A 90 -0.367 2.592 19.804 1.00 0.00 N ATOM 1393 CA SER A 90 -1.297 2.086 20.799 1.00 0.00 C ATOM 1394 C SER A 90 -1.114 0.575 20.965 1.00 0.00 C ATOM 1395 O SER A 90 -1.336 -0.187 20.026 1.00 0.00 O ATOM 1396 CB SER A 90 -2.742 2.407 20.416 1.00 0.00 C ATOM 1397 OG SER A 90 -3.487 2.915 21.520 1.00 0.00 O ATOM 0 H SER A 90 -0.173 1.949 19.036 1.00 0.00 H new ATOM 0 HA SER A 90 -1.084 2.578 21.748 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.749 3.138 19.607 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.225 1.507 20.036 1.00 0.00 H new ATOM 0 HG SER A 90 -4.404 3.109 21.234 1.00 0.00 H new ATOM 1403 N GLY A 91 -0.713 0.189 22.167 1.00 0.00 N ATOM 1404 CA GLY A 91 -0.498 -1.217 22.468 1.00 0.00 C ATOM 1405 C GLY A 91 0.568 -1.389 23.552 1.00 0.00 C ATOM 1406 O GLY A 91 1.579 -2.054 23.333 1.00 0.00 O ATOM 0 H GLY A 91 -0.531 0.824 22.944 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.433 -1.669 22.798 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.191 -1.743 21.564 1.00 0.00 H new TER 1410 GLY A 91