USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 615 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: X 26 ASN : amide:sc= 0.0384 X(o=0.078,f=0.32) USER MOD Set 1.2: X 55 TYR OH : rot 49:sc= 0.0395 USER MOD Set 2.1: X 10 TYR OH : rot -140:sc= 1.02 USER MOD Set 2.2: X 40 HIS : no HE2:sc= -0.211 K(o=0.81,f=-3.9) USER MOD Single : X 4 LYS NZ :NH3+ -147:sc= 1.32 (180deg=-0.274) USER MOD Single : X 5 ASN :FLIP amide:sc= -0.0498 F(o=-1.3!,f=-0.05) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.794 USER MOD Single : X 17 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.073) USER MOD Single : X 20 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.07) USER MOD Single : X 24 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0.563) USER MOD Single : X 30 THR OG1 : rot 130:sc= -3.24! USER MOD Single : X 43 LYS NZ :NH3+ -127:sc= 1.12 (180deg=-0.0898) USER MOD Single : X 45 THR OG1 : rot -98:sc= 1.14 USER MOD Single : X 47 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.9!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : X 77 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0304) USER MOD Single : X 80 LYS NZ :NH3+ 160:sc= -0.0594 (180deg=-0.335) USER MOD Single : X 86 ASN :FLIP amide:sc= -0.46 F(o=-1.9,f=-0.46) USER MOD Single : X 88 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.15) USER MOD Single : X 92 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.1) USER MOD Single : X 93 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.898 5.030 6.636 1.00 0.00 N ATOM 17 CA LEU X 3 61.815 5.834 5.865 1.00 0.00 C ATOM 18 C LEU X 3 62.225 7.051 6.641 1.00 0.00 C ATOM 19 O LEU X 3 61.387 7.759 7.204 1.00 0.00 O ATOM 20 CB LEU X 3 61.210 6.261 4.523 1.00 0.00 C ATOM 21 CG LEU X 3 60.734 5.141 3.604 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.392 5.687 2.223 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.776 4.057 3.502 1.00 0.00 C ATOM 0 HA LEU X 3 62.691 5.218 5.661 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.365 6.920 4.724 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.953 6.850 3.986 1.00 0.00 H new ATOM 0 HG LEU X 3 59.831 4.708 4.034 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.055 4.872 1.583 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.600 6.431 2.312 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.277 6.150 1.785 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.416 3.268 2.842 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.698 4.475 3.099 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.968 3.643 4.492 1.00 0.00 H new ATOM 35 N LYS X 4 63.498 7.268 6.707 1.00 0.00 N ATOM 36 CA LYS X 4 64.046 8.417 7.374 1.00 0.00 C ATOM 37 C LYS X 4 64.300 9.470 6.301 1.00 0.00 C ATOM 38 O LYS X 4 63.713 9.397 5.224 1.00 0.00 O ATOM 39 CB LYS X 4 65.374 8.048 8.061 1.00 0.00 C ATOM 40 CG LYS X 4 65.402 6.718 8.810 1.00 0.00 C ATOM 41 CD LYS X 4 64.178 6.470 9.638 1.00 0.00 C ATOM 42 CE LYS X 4 64.444 5.368 10.624 1.00 0.00 C ATOM 43 NZ LYS X 4 63.228 4.860 11.285 1.00 0.00 N ATOM 0 H LYS X 4 64.199 6.650 6.297 1.00 0.00 H new ATOM 0 HA LYS X 4 63.361 8.786 8.138 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.158 8.030 7.304 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.628 8.842 8.764 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.514 5.907 8.090 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.279 6.693 9.457 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.894 7.381 10.165 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.341 6.200 8.994 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.939 4.544 10.110 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.136 5.731 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.457 4.568 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.507 5.609 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.860 4.044 10.756 1.00 0.00 H new ATOM 57 N ASN X 5 65.106 10.459 6.580 1.00 0.00 N ATOM 58 CA ASN X 5 65.488 11.398 5.531 1.00 0.00 C ATOM 59 C ASN X 5 66.959 11.320 5.236 1.00 0.00 C ATOM 60 O ASN X 5 67.387 11.646 4.134 1.00 0.00 O ATOM 61 CB ASN X 5 65.060 12.847 5.802 1.00 0.00 C ATOM 62 CG ASN X 5 63.551 13.077 5.725 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.865 12.353 4.859 1.00 0.00 O flip ATOM 64 ND2 ASN X 5 63.013 13.938 6.424 1.00 0.00 N flip ATOM 0 H ASN X 5 65.509 10.643 7.499 1.00 0.00 H new ATOM 0 HA ASN X 5 64.934 11.084 4.647 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.411 13.139 6.792 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.553 13.501 5.083 1.00 0.00 H new ATOM 0 HD21 ASN X 5 63.570 14.481 7.084 1.00 0.00 H new ATOM 0 HD22 ASN X 5 62.011 14.108 6.343 1.00 0.00 H new ATOM 71 N SER X 6 67.737 10.869 6.201 1.00 0.00 N ATOM 72 CA SER X 6 69.153 10.720 6.002 1.00 0.00 C ATOM 73 C SER X 6 69.613 9.373 6.545 1.00 0.00 C ATOM 74 O SER X 6 68.876 8.725 7.303 1.00 0.00 O ATOM 75 CB SER X 6 69.924 11.880 6.643 1.00 0.00 C ATOM 76 OG SER X 6 69.719 11.946 8.046 1.00 0.00 O ATOM 0 H SER X 6 67.406 10.601 7.128 1.00 0.00 H new ATOM 0 HA SER X 6 69.364 10.748 4.933 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.988 11.765 6.437 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.611 12.819 6.187 1.00 0.00 H new ATOM 0 HG SER X 6 70.228 12.697 8.416 1.00 0.00 H new ATOM 82 N ILE X 7 70.835 8.973 6.196 1.00 0.00 N ATOM 83 CA ILE X 7 71.405 7.672 6.588 1.00 0.00 C ATOM 84 C ILE X 7 71.598 7.598 8.126 1.00 0.00 C ATOM 85 O ILE X 7 71.691 6.520 8.703 1.00 0.00 O ATOM 86 CB ILE X 7 72.801 7.446 5.877 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.243 5.966 5.919 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.894 8.336 6.475 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.397 5.060 5.061 1.00 0.00 C ATOM 0 H ILE X 7 71.466 9.541 5.630 1.00 0.00 H new ATOM 0 HA ILE X 7 70.708 6.893 6.278 1.00 0.00 H new ATOM 0 HB ILE X 7 72.659 7.727 4.834 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.281 5.896 5.594 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.208 5.614 6.950 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.836 8.151 5.960 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.616 9.383 6.357 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.009 8.108 7.535 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.765 4.037 5.139 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.362 5.100 5.400 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.452 5.387 4.023 1.00 0.00 H new ATOM 101 N SER X 8 71.536 8.753 8.773 1.00 0.00 N ATOM 102 CA SER X 8 71.895 8.875 10.155 1.00 0.00 C ATOM 103 C SER X 8 70.808 8.329 11.075 1.00 0.00 C ATOM 104 O SER X 8 71.082 7.983 12.226 1.00 0.00 O ATOM 105 CB SER X 8 72.236 10.342 10.484 1.00 0.00 C ATOM 106 OG SER X 8 72.807 10.476 11.784 1.00 0.00 O ATOM 0 H SER X 8 71.233 9.627 8.342 1.00 0.00 H new ATOM 0 HA SER X 8 72.782 8.267 10.332 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.932 10.729 9.740 1.00 0.00 H new ATOM 0 HB3 SER X 8 71.332 10.948 10.420 1.00 0.00 H new ATOM 0 HG SER X 8 73.011 11.419 11.956 1.00 0.00 H new ATOM 112 N ASP X 9 69.583 8.223 10.587 1.00 0.00 N ATOM 113 CA ASP X 9 68.544 7.682 11.446 1.00 0.00 C ATOM 114 C ASP X 9 68.244 6.251 11.045 1.00 0.00 C ATOM 115 O ASP X 9 67.342 5.600 11.570 1.00 0.00 O ATOM 116 CB ASP X 9 67.263 8.506 11.419 1.00 0.00 C ATOM 117 CG ASP X 9 66.366 8.186 12.608 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.800 8.369 13.770 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.241 7.715 12.421 1.00 0.00 O ATOM 0 H ASP X 9 69.292 8.490 9.647 1.00 0.00 H new ATOM 0 HA ASP X 9 68.922 7.718 12.468 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.512 9.567 11.425 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.723 8.311 10.492 1.00 0.00 H new ATOM 124 N TYR X 10 69.022 5.741 10.153 1.00 0.00 N ATOM 125 CA TYR X 10 68.813 4.403 9.699 1.00 0.00 C ATOM 126 C TYR X 10 69.607 3.451 10.527 1.00 0.00 C ATOM 127 O TYR X 10 70.804 3.618 10.688 1.00 0.00 O ATOM 128 CB TYR X 10 69.152 4.215 8.204 1.00 0.00 C ATOM 129 CG TYR X 10 68.017 4.527 7.246 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.023 3.584 7.013 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.931 5.740 6.581 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.978 3.834 6.150 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.873 6.005 5.718 1.00 0.00 C ATOM 134 CZ TYR X 10 65.904 5.042 5.511 1.00 0.00 C ATOM 135 OH TYR X 10 64.842 5.306 4.692 1.00 0.00 O ATOM 0 H TYR X 10 69.809 6.227 9.722 1.00 0.00 H new ATOM 0 HA TYR X 10 67.749 4.194 9.811 1.00 0.00 H new ATOM 0 HB2 TYR X 10 70.002 4.851 7.957 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.469 3.184 8.045 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.071 2.632 7.521 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.695 6.488 6.735 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.222 3.082 5.979 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.809 6.957 5.213 1.00 0.00 H new ATOM 0 HH TYR X 10 65.154 5.784 3.895 1.00 0.00 H new ATOM 145 N THR X 11 68.940 2.510 11.127 1.00 0.00 N ATOM 146 CA THR X 11 69.620 1.426 11.753 1.00 0.00 C ATOM 147 C THR X 11 69.893 0.471 10.606 1.00 0.00 C ATOM 148 O THR X 11 69.326 0.674 9.505 1.00 0.00 O ATOM 149 CB THR X 11 68.718 0.720 12.816 1.00 0.00 C ATOM 150 OG1 THR X 11 67.555 0.181 12.194 1.00 0.00 O ATOM 151 CG2 THR X 11 68.274 1.682 13.898 1.00 0.00 C ATOM 0 H THR X 11 67.923 2.475 11.194 1.00 0.00 H new ATOM 0 HA THR X 11 70.516 1.754 12.281 1.00 0.00 H new ATOM 0 HB THR X 11 69.314 -0.074 13.267 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.998 -0.260 12.869 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.649 1.155 14.619 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.149 2.088 14.405 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.704 2.496 13.450 1.00 0.00 H new ATOM 159 N GLU X 12 70.719 -0.528 10.782 1.00 0.00 N ATOM 160 CA GLU X 12 70.905 -1.457 9.696 1.00 0.00 C ATOM 161 C GLU X 12 69.590 -2.133 9.292 1.00 0.00 C ATOM 162 O GLU X 12 69.266 -2.181 8.127 1.00 0.00 O ATOM 163 CB GLU X 12 72.083 -2.439 9.902 1.00 0.00 C ATOM 164 CG GLU X 12 72.264 -3.018 11.307 1.00 0.00 C ATOM 165 CD GLU X 12 71.091 -3.783 11.834 1.00 0.00 C ATOM 166 OE1 GLU X 12 71.015 -5.001 11.604 1.00 0.00 O ATOM 167 OE2 GLU X 12 70.227 -3.174 12.513 1.00 0.00 O ATOM 0 H GLU X 12 71.254 -0.716 11.630 1.00 0.00 H new ATOM 0 HA GLU X 12 71.216 -0.863 8.837 1.00 0.00 H new ATOM 0 HB2 GLU X 12 71.958 -3.269 9.207 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.004 -1.927 9.625 1.00 0.00 H new ATOM 0 HG2 GLU X 12 73.134 -3.674 11.303 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.484 -2.201 11.994 1.00 0.00 H new ATOM 174 N ALA X 13 68.803 -2.537 10.270 1.00 0.00 N ATOM 175 CA ALA X 13 67.529 -3.181 10.018 1.00 0.00 C ATOM 176 C ALA X 13 66.501 -2.216 9.379 1.00 0.00 C ATOM 177 O ALA X 13 65.751 -2.617 8.498 1.00 0.00 O ATOM 178 CB ALA X 13 66.974 -3.814 11.278 1.00 0.00 C ATOM 0 H ALA X 13 69.028 -2.428 11.259 1.00 0.00 H new ATOM 0 HA ALA X 13 67.714 -3.975 9.294 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.018 -4.289 11.056 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.674 -4.563 11.648 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.830 -3.046 12.038 1.00 0.00 H new ATOM 184 N GLU X 14 66.477 -0.943 9.815 1.00 0.00 N ATOM 185 CA GLU X 14 65.593 0.062 9.180 1.00 0.00 C ATOM 186 C GLU X 14 65.922 0.191 7.728 1.00 0.00 C ATOM 187 O GLU X 14 65.036 0.309 6.868 1.00 0.00 O ATOM 188 CB GLU X 14 65.714 1.449 9.838 1.00 0.00 C ATOM 189 CG GLU X 14 64.875 1.622 11.079 1.00 0.00 C ATOM 190 CD GLU X 14 63.406 1.465 10.781 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.788 2.411 10.242 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.846 0.395 11.066 1.00 0.00 O ATOM 0 H GLU X 14 67.043 -0.588 10.585 1.00 0.00 H new ATOM 0 HA GLU X 14 64.570 -0.291 9.312 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.759 1.628 10.092 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.428 2.209 9.111 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.176 0.889 11.827 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.057 2.608 11.507 1.00 0.00 H new ATOM 199 N PHE X 15 67.193 0.140 7.452 1.00 0.00 N ATOM 200 CA PHE X 15 67.659 0.276 6.131 1.00 0.00 C ATOM 201 C PHE X 15 67.387 -0.994 5.352 1.00 0.00 C ATOM 202 O PHE X 15 66.939 -0.922 4.227 1.00 0.00 O ATOM 203 CB PHE X 15 69.129 0.640 6.132 1.00 0.00 C ATOM 204 CG PHE X 15 69.634 1.165 4.826 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.161 2.361 4.319 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.604 0.492 4.129 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.650 2.859 3.139 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.092 0.984 2.950 1.00 0.00 C ATOM 209 CZ PHE X 15 70.613 2.168 2.459 1.00 0.00 C ATOM 0 H PHE X 15 67.925 0.002 8.149 1.00 0.00 H new ATOM 0 HA PHE X 15 67.123 1.086 5.636 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.305 1.389 6.904 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.709 -0.241 6.405 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.400 2.907 4.857 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.988 -0.440 4.517 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.276 3.794 2.748 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.852 0.440 2.409 1.00 0.00 H new ATOM 0 HZ PHE X 15 70.998 2.559 1.529 1.00 0.00 H new ATOM 219 N VAL X 16 67.617 -2.170 5.967 1.00 0.00 N ATOM 220 CA VAL X 16 67.360 -3.439 5.280 1.00 0.00 C ATOM 221 C VAL X 16 65.895 -3.593 4.934 1.00 0.00 C ATOM 222 O VAL X 16 65.572 -4.184 3.927 1.00 0.00 O ATOM 223 CB VAL X 16 67.861 -4.723 6.006 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.284 -4.650 6.422 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.968 -5.184 7.107 1.00 0.00 C ATOM 0 H VAL X 16 67.973 -2.263 6.918 1.00 0.00 H new ATOM 0 HA VAL X 16 67.964 -3.362 4.376 1.00 0.00 H new ATOM 0 HB VAL X 16 67.809 -5.501 5.244 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.565 -5.577 6.921 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.913 -4.505 5.544 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.420 -3.813 7.107 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.386 -6.082 7.562 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.885 -4.400 7.860 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.980 -5.407 6.705 1.00 0.00 H new ATOM 235 N GLN X 17 65.020 -3.053 5.772 1.00 0.00 N ATOM 236 CA GLN X 17 63.622 -3.071 5.529 1.00 0.00 C ATOM 237 C GLN X 17 63.335 -2.291 4.248 1.00 0.00 C ATOM 238 O GLN X 17 62.615 -2.766 3.382 1.00 0.00 O ATOM 239 CB GLN X 17 62.910 -2.496 6.752 1.00 0.00 C ATOM 240 CG GLN X 17 61.418 -2.370 6.634 1.00 0.00 C ATOM 241 CD GLN X 17 60.721 -3.674 6.272 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.348 -4.470 7.135 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.516 -3.882 5.006 1.00 0.00 N ATOM 0 H GLN X 17 65.284 -2.591 6.642 1.00 0.00 H new ATOM 0 HA GLN X 17 63.249 -4.084 5.379 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.137 -3.126 7.612 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.325 -1.510 6.961 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.017 -2.004 7.579 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.184 -1.621 5.877 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.839 -3.201 4.318 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.032 -4.726 4.700 1.00 0.00 H new ATOM 252 N LEU X 18 63.976 -1.140 4.111 1.00 0.00 N ATOM 253 CA LEU X 18 63.882 -0.345 2.895 1.00 0.00 C ATOM 254 C LEU X 18 64.425 -1.130 1.721 1.00 0.00 C ATOM 255 O LEU X 18 63.807 -1.219 0.687 1.00 0.00 O ATOM 256 CB LEU X 18 64.676 0.948 3.048 1.00 0.00 C ATOM 257 CG LEU X 18 64.891 1.767 1.758 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.599 2.278 1.177 1.00 0.00 C ATOM 259 CD2 LEU X 18 65.879 2.885 1.969 1.00 0.00 C ATOM 0 H LEU X 18 64.571 -0.733 4.833 1.00 0.00 H new ATOM 0 HA LEU X 18 62.834 -0.104 2.718 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.166 1.580 3.775 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.652 0.704 3.467 1.00 0.00 H new ATOM 0 HG LEU X 18 65.316 1.082 1.024 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.807 2.847 0.271 1.00 0.00 H new ATOM 0 HD12 LEU X 18 62.951 1.436 0.935 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.103 2.921 1.904 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.005 3.440 1.039 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.509 3.556 2.744 1.00 0.00 H new ATOM 0 HD23 LEU X 18 66.839 2.469 2.276 1.00 0.00 H new ATOM 271 N LEU X 19 65.559 -1.716 1.939 1.00 0.00 N ATOM 272 CA LEU X 19 66.281 -2.513 0.961 1.00 0.00 C ATOM 273 C LEU X 19 65.458 -3.672 0.424 1.00 0.00 C ATOM 274 O LEU X 19 65.450 -3.929 -0.782 1.00 0.00 O ATOM 275 CB LEU X 19 67.514 -3.010 1.627 1.00 0.00 C ATOM 276 CG LEU X 19 68.514 -1.922 1.973 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.768 -2.491 2.471 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.774 -1.007 0.820 1.00 0.00 C ATOM 0 H LEU X 19 66.039 -1.658 2.837 1.00 0.00 H new ATOM 0 HA LEU X 19 66.517 -1.894 0.095 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.234 -3.535 2.540 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.997 -3.739 0.976 1.00 0.00 H new ATOM 0 HG LEU X 19 68.066 -1.327 2.769 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.463 -1.686 2.710 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.570 -3.078 3.368 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.205 -3.133 1.706 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.496 -0.245 1.116 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.174 -1.580 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.843 -0.527 0.519 1.00 0.00 H new ATOM 290 N LYS X 20 64.741 -4.338 1.313 1.00 0.00 N ATOM 291 CA LYS X 20 63.843 -5.428 0.944 1.00 0.00 C ATOM 292 C LYS X 20 62.714 -4.889 0.068 1.00 0.00 C ATOM 293 O LYS X 20 62.341 -5.498 -0.949 1.00 0.00 O ATOM 294 CB LYS X 20 63.255 -6.077 2.202 1.00 0.00 C ATOM 295 CG LYS X 20 64.265 -6.775 3.101 1.00 0.00 C ATOM 296 CD LYS X 20 63.594 -7.288 4.375 1.00 0.00 C ATOM 297 CE LYS X 20 64.566 -8.018 5.308 1.00 0.00 C ATOM 298 NZ LYS X 20 64.996 -9.342 4.793 1.00 0.00 N ATOM 0 H LYS X 20 64.763 -4.141 2.314 1.00 0.00 H new ATOM 0 HA LYS X 20 64.406 -6.178 0.389 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.744 -5.309 2.783 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.500 -6.802 1.899 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.722 -7.607 2.565 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.067 -6.084 3.360 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.148 -6.448 4.908 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.781 -7.962 4.105 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.446 -7.394 5.464 1.00 0.00 H new ATOM 0 HE3 LYS X 20 64.093 -8.151 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.903 -9.606 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.278 -10.056 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.109 -9.293 3.760 1.00 0.00 H new ATOM 312 N GLU X 21 62.205 -3.727 0.460 1.00 0.00 N ATOM 313 CA GLU X 21 61.140 -3.049 -0.253 1.00 0.00 C ATOM 314 C GLU X 21 61.610 -2.587 -1.631 1.00 0.00 C ATOM 315 O GLU X 21 60.849 -2.646 -2.612 1.00 0.00 O ATOM 316 CB GLU X 21 60.611 -1.867 0.562 1.00 0.00 C ATOM 317 CG GLU X 21 59.960 -2.264 1.881 1.00 0.00 C ATOM 318 CD GLU X 21 59.550 -1.071 2.711 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.582 -0.380 2.340 1.00 0.00 O ATOM 320 OE2 GLU X 21 60.166 -0.810 3.764 1.00 0.00 O ATOM 0 H GLU X 21 62.526 -3.228 1.290 1.00 0.00 H new ATOM 0 HA GLU X 21 60.326 -3.759 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.435 -1.183 0.767 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.885 -1.320 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.083 -2.879 1.678 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.655 -2.879 2.454 1.00 0.00 H new ATOM 327 N ILE X 22 62.863 -2.125 -1.708 1.00 0.00 N ATOM 328 CA ILE X 22 63.438 -1.706 -2.975 1.00 0.00 C ATOM 329 C ILE X 22 63.452 -2.865 -3.958 1.00 0.00 C ATOM 330 O ILE X 22 63.037 -2.710 -5.104 1.00 0.00 O ATOM 331 CB ILE X 22 64.879 -1.151 -2.841 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.937 -0.017 -1.823 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.335 -0.638 -4.189 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.315 0.592 -1.640 1.00 0.00 C ATOM 0 H ILE X 22 63.489 -2.035 -0.908 1.00 0.00 H new ATOM 0 HA ILE X 22 62.804 -0.897 -3.339 1.00 0.00 H new ATOM 0 HB ILE X 22 65.532 -1.953 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.245 0.767 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.588 -0.391 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.348 -0.245 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.321 -1.453 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.665 0.155 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.265 1.390 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.010 -0.176 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.662 1.000 -2.590 1.00 0.00 H new ATOM 346 N GLU X 23 63.892 -4.035 -3.490 1.00 0.00 N ATOM 347 CA GLU X 23 63.934 -5.238 -4.323 1.00 0.00 C ATOM 348 C GLU X 23 62.557 -5.560 -4.843 1.00 0.00 C ATOM 349 O GLU X 23 62.369 -5.842 -6.025 1.00 0.00 O ATOM 350 CB GLU X 23 64.348 -6.447 -3.526 1.00 0.00 C ATOM 351 CG GLU X 23 65.737 -6.480 -2.962 1.00 0.00 C ATOM 352 CD GLU X 23 66.008 -7.862 -2.399 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.311 -8.277 -1.430 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.872 -8.586 -2.934 1.00 0.00 O ATOM 0 H GLU X 23 64.225 -4.175 -2.536 1.00 0.00 H new ATOM 0 HA GLU X 23 64.644 -5.031 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.649 -6.555 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.226 -7.324 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.464 -6.240 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.844 -5.727 -2.181 1.00 0.00 H new ATOM 361 N LYS X 24 61.605 -5.451 -3.952 1.00 0.00 N ATOM 362 CA LYS X 24 60.244 -5.831 -4.189 1.00 0.00 C ATOM 363 C LYS X 24 59.605 -5.063 -5.355 1.00 0.00 C ATOM 364 O LYS X 24 59.052 -5.682 -6.273 1.00 0.00 O ATOM 365 CB LYS X 24 59.458 -5.678 -2.884 1.00 0.00 C ATOM 366 CG LYS X 24 57.956 -5.887 -2.998 1.00 0.00 C ATOM 367 CD LYS X 24 57.589 -7.287 -3.458 1.00 0.00 C ATOM 368 CE LYS X 24 56.097 -7.387 -3.711 1.00 0.00 C ATOM 369 NZ LYS X 24 55.664 -6.513 -4.832 1.00 0.00 N ATOM 0 H LYS X 24 61.765 -5.084 -3.014 1.00 0.00 H new ATOM 0 HA LYS X 24 60.219 -6.875 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.852 -6.388 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.639 -4.680 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.493 -5.695 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.545 -5.160 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.136 -7.532 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.886 -8.014 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.836 -8.421 -3.935 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.556 -7.111 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.679 -6.734 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.732 -5.517 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.277 -6.676 -5.656 1.00 0.00 H new ATOM 383 N GLU X 25 59.699 -3.753 -5.369 1.00 0.00 N ATOM 384 CA GLU X 25 59.128 -3.040 -6.460 1.00 0.00 C ATOM 385 C GLU X 25 60.086 -2.926 -7.644 1.00 0.00 C ATOM 386 O GLU X 25 59.717 -2.450 -8.712 1.00 0.00 O ATOM 387 CB GLU X 25 58.569 -1.708 -6.030 1.00 0.00 C ATOM 388 CG GLU X 25 57.470 -1.818 -4.982 1.00 0.00 C ATOM 389 CD GLU X 25 56.368 -2.798 -5.357 1.00 0.00 C ATOM 390 OE1 GLU X 25 55.438 -2.422 -6.086 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.379 -3.949 -4.882 1.00 0.00 O ATOM 0 H GLU X 25 60.153 -3.184 -4.655 1.00 0.00 H new ATOM 0 HA GLU X 25 58.282 -3.628 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU X 25 59.378 -1.095 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.175 -1.189 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU X 25 57.912 -2.126 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.031 -0.833 -4.823 1.00 0.00 H new ATOM 398 N ASN X 26 61.309 -3.384 -7.457 1.00 0.00 N ATOM 399 CA ASN X 26 62.275 -3.435 -8.546 1.00 0.00 C ATOM 400 C ASN X 26 61.984 -4.650 -9.411 1.00 0.00 C ATOM 401 O ASN X 26 61.954 -4.559 -10.636 1.00 0.00 O ATOM 402 CB ASN X 26 63.716 -3.522 -8.022 1.00 0.00 C ATOM 403 CG ASN X 26 64.742 -3.604 -9.143 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.568 -3.014 -10.215 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.795 -4.357 -8.919 1.00 0.00 N ATOM 0 H ASN X 26 61.660 -3.727 -6.563 1.00 0.00 H new ATOM 0 HA ASN X 26 62.182 -2.517 -9.127 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.927 -2.649 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.813 -4.398 -7.381 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.504 -4.470 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.903 -4.828 -8.021 1.00 0.00 H new ATOM 412 N VAL X 27 61.738 -5.783 -8.761 1.00 0.00 N ATOM 413 CA VAL X 27 61.442 -7.030 -9.465 1.00 0.00 C ATOM 414 C VAL X 27 60.071 -6.971 -10.147 1.00 0.00 C ATOM 415 O VAL X 27 59.869 -7.554 -11.219 1.00 0.00 O ATOM 416 CB VAL X 27 61.558 -8.291 -8.549 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.978 -8.449 -8.032 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.580 -8.242 -7.382 1.00 0.00 C ATOM 0 H VAL X 27 61.737 -5.865 -7.744 1.00 0.00 H new ATOM 0 HA VAL X 27 62.206 -7.134 -10.235 1.00 0.00 H new ATOM 0 HB VAL X 27 61.301 -9.156 -9.161 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.038 -9.332 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.661 -8.561 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.255 -7.567 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.696 -9.138 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.783 -7.361 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.560 -8.192 -7.764 1.00 0.00 H new ATOM 428 N ALA X 28 59.143 -6.244 -9.531 1.00 0.00 N ATOM 429 CA ALA X 28 57.821 -6.033 -10.107 1.00 0.00 C ATOM 430 C ALA X 28 57.882 -4.912 -11.142 1.00 0.00 C ATOM 431 O ALA X 28 57.017 -4.799 -12.009 1.00 0.00 O ATOM 432 CB ALA X 28 56.821 -5.688 -9.012 1.00 0.00 C ATOM 0 H ALA X 28 59.285 -5.790 -8.629 1.00 0.00 H new ATOM 0 HA ALA X 28 57.495 -6.950 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.837 -5.532 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.771 -6.506 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.138 -4.778 -8.503 1.00 0.00 H new ATOM 438 N ALA X 29 58.932 -4.110 -11.026 1.00 0.00 N ATOM 439 CA ALA X 29 59.216 -2.968 -11.879 1.00 0.00 C ATOM 440 C ALA X 29 58.121 -1.921 -11.847 1.00 0.00 C ATOM 441 O ALA X 29 57.217 -1.891 -12.702 1.00 0.00 O ATOM 442 CB ALA X 29 59.584 -3.361 -13.302 1.00 0.00 C ATOM 0 H ALA X 29 59.639 -4.245 -10.303 1.00 0.00 H new ATOM 0 HA ALA X 29 60.104 -2.504 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.784 -2.463 -13.887 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.474 -3.990 -13.287 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.758 -3.911 -13.753 1.00 0.00 H new ATOM 448 N THR X 30 58.154 -1.115 -10.833 1.00 0.00 N ATOM 449 CA THR X 30 57.255 -0.014 -10.725 1.00 0.00 C ATOM 450 C THR X 30 58.046 1.240 -10.995 1.00 0.00 C ATOM 451 O THR X 30 59.198 1.163 -11.452 1.00 0.00 O ATOM 452 CB THR X 30 56.625 0.053 -9.318 1.00 0.00 C ATOM 453 OG1 THR X 30 57.638 0.211 -8.327 1.00 0.00 O ATOM 454 CG2 THR X 30 55.855 -1.207 -9.032 1.00 0.00 C ATOM 0 H THR X 30 58.808 -1.204 -10.055 1.00 0.00 H new ATOM 0 HA THR X 30 56.441 -0.126 -11.441 1.00 0.00 H new ATOM 0 HB THR X 30 55.951 0.909 -9.288 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.402 0.955 -7.734 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.416 -1.147 -8.036 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.063 -1.325 -9.772 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.528 -2.063 -9.081 1.00 0.00 H new ATOM 462 N ASP X 31 57.472 2.369 -10.745 1.00 0.00 N ATOM 463 CA ASP X 31 58.192 3.596 -10.911 1.00 0.00 C ATOM 464 C ASP X 31 57.867 4.567 -9.811 1.00 0.00 C ATOM 465 O ASP X 31 58.696 5.369 -9.451 1.00 0.00 O ATOM 466 CB ASP X 31 57.973 4.228 -12.297 1.00 0.00 C ATOM 467 CG ASP X 31 56.620 4.878 -12.493 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.582 4.167 -12.504 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.572 6.114 -12.690 1.00 0.00 O ATOM 0 H ASP X 31 56.509 2.472 -10.426 1.00 0.00 H new ATOM 0 HA ASP X 31 59.252 3.350 -10.846 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.747 4.976 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.103 3.457 -13.057 1.00 0.00 H new ATOM 474 N ASP X 32 56.690 4.450 -9.221 1.00 0.00 N ATOM 475 CA ASP X 32 56.281 5.410 -8.192 1.00 0.00 C ATOM 476 C ASP X 32 57.119 5.288 -6.961 1.00 0.00 C ATOM 477 O ASP X 32 57.757 6.247 -6.564 1.00 0.00 O ATOM 478 CB ASP X 32 54.786 5.338 -7.822 1.00 0.00 C ATOM 479 CG ASP X 32 53.839 5.638 -8.952 1.00 0.00 C ATOM 480 OD1 ASP X 32 53.556 6.813 -9.228 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.341 4.705 -9.581 1.00 0.00 O ATOM 0 H ASP X 32 56.009 3.719 -9.426 1.00 0.00 H new ATOM 0 HA ASP X 32 56.443 6.389 -8.644 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.569 4.340 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.593 6.039 -7.010 1.00 0.00 H new ATOM 486 N VAL X 33 57.148 4.122 -6.363 1.00 0.00 N ATOM 487 CA VAL X 33 57.929 3.975 -5.155 1.00 0.00 C ATOM 488 C VAL X 33 59.350 3.688 -5.549 1.00 0.00 C ATOM 489 O VAL X 33 60.271 4.119 -4.904 1.00 0.00 O ATOM 490 CB VAL X 33 57.402 2.853 -4.187 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.914 1.475 -4.516 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.632 3.211 -2.731 1.00 0.00 C ATOM 0 H VAL X 33 56.658 3.285 -6.678 1.00 0.00 H new ATOM 0 HA VAL X 33 57.847 4.907 -4.595 1.00 0.00 H new ATOM 0 HB VAL X 33 56.325 2.808 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.507 0.756 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL X 33 57.604 1.203 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL X 33 59.002 1.467 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.254 2.410 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.699 3.343 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.108 4.138 -2.497 1.00 0.00 H new ATOM 502 N LEU X 34 59.489 3.022 -6.677 1.00 0.00 N ATOM 503 CA LEU X 34 60.752 2.571 -7.192 1.00 0.00 C ATOM 504 C LEU X 34 61.665 3.744 -7.412 1.00 0.00 C ATOM 505 O LEU X 34 62.796 3.725 -6.949 1.00 0.00 O ATOM 506 CB LEU X 34 60.476 1.777 -8.466 1.00 0.00 C ATOM 507 CG LEU X 34 61.598 0.958 -9.112 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.453 1.814 -9.990 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.435 0.224 -8.072 1.00 0.00 C ATOM 0 H LEU X 34 58.699 2.776 -7.273 1.00 0.00 H new ATOM 0 HA LEU X 34 61.265 1.919 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.656 1.092 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.114 2.481 -9.216 1.00 0.00 H new ATOM 0 HG LEU X 34 61.127 0.200 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.241 1.206 -10.435 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.841 2.250 -10.780 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.901 2.611 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.219 -0.345 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.887 0.947 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.798 -0.456 -7.506 1.00 0.00 H new ATOM 521 N ASP X 35 61.158 4.804 -8.023 1.00 0.00 N ATOM 522 CA ASP X 35 61.990 5.964 -8.245 1.00 0.00 C ATOM 523 C ASP X 35 62.354 6.648 -6.972 1.00 0.00 C ATOM 524 O ASP X 35 63.468 7.174 -6.852 1.00 0.00 O ATOM 525 CB ASP X 35 61.412 6.933 -9.259 1.00 0.00 C ATOM 526 CG ASP X 35 61.816 6.632 -10.679 1.00 0.00 C ATOM 527 OD1 ASP X 35 62.936 7.025 -11.078 1.00 0.00 O ATOM 528 OD2 ASP X 35 61.032 6.001 -11.431 1.00 0.00 O ATOM 0 H ASP X 35 60.200 4.881 -8.364 1.00 0.00 H new ATOM 0 HA ASP X 35 62.912 5.583 -8.684 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.324 6.915 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP X 35 61.731 7.944 -9.006 1.00 0.00 H new ATOM 533 N VAL X 36 61.461 6.601 -6.003 1.00 0.00 N ATOM 534 CA VAL X 36 61.751 7.198 -4.716 1.00 0.00 C ATOM 535 C VAL X 36 62.850 6.452 -4.059 1.00 0.00 C ATOM 536 O VAL X 36 63.834 7.021 -3.651 1.00 0.00 O ATOM 537 CB VAL X 36 60.607 7.037 -3.722 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.916 7.786 -2.467 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.335 7.466 -4.270 1.00 0.00 C ATOM 0 H VAL X 36 60.543 6.163 -6.080 1.00 0.00 H new ATOM 0 HA VAL X 36 61.966 8.245 -4.928 1.00 0.00 H new ATOM 0 HB VAL X 36 60.513 5.974 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL X 36 60.094 7.667 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.833 7.395 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL X 36 61.046 8.843 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.553 7.331 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.395 8.519 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.100 6.871 -5.153 1.00 0.00 H new ATOM 549 N LEU X 37 62.692 5.159 -4.038 1.00 0.00 N ATOM 550 CA LEU X 37 63.544 4.314 -3.273 1.00 0.00 C ATOM 551 C LEU X 37 64.918 4.324 -3.809 1.00 0.00 C ATOM 552 O LEU X 37 65.873 4.406 -3.057 1.00 0.00 O ATOM 553 CB LEU X 37 63.040 2.902 -3.242 1.00 0.00 C ATOM 554 CG LEU X 37 61.586 2.675 -2.788 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.251 1.198 -2.776 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.319 3.298 -1.423 1.00 0.00 C ATOM 0 H LEU X 37 61.964 4.666 -4.555 1.00 0.00 H new ATOM 0 HA LEU X 37 63.548 4.708 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.149 2.484 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.691 2.327 -2.584 1.00 0.00 H new ATOM 0 HG LEU X 37 60.937 3.171 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.219 1.062 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.374 0.789 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.919 0.679 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.283 3.117 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.983 2.851 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.500 4.372 -1.472 1.00 0.00 H new ATOM 568 N LEU X 38 65.003 4.267 -5.104 1.00 0.00 N ATOM 569 CA LEU X 38 66.248 4.270 -5.783 1.00 0.00 C ATOM 570 C LEU X 38 67.035 5.525 -5.468 1.00 0.00 C ATOM 571 O LEU X 38 68.201 5.444 -5.080 1.00 0.00 O ATOM 572 CB LEU X 38 66.028 4.075 -7.275 1.00 0.00 C ATOM 573 CG LEU X 38 65.465 2.718 -7.718 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.628 2.552 -9.192 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.090 1.552 -6.975 1.00 0.00 C ATOM 0 H LEU X 38 64.192 4.217 -5.721 1.00 0.00 H new ATOM 0 HA LEU X 38 66.851 3.433 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.350 4.854 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.980 4.230 -7.782 1.00 0.00 H new ATOM 0 HG LEU X 38 64.404 2.712 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.225 1.586 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.092 3.348 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.686 2.601 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.653 0.618 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.165 1.541 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.901 1.658 -5.907 1.00 0.00 H new ATOM 587 N GLU X 39 66.382 6.663 -5.557 1.00 0.00 N ATOM 588 CA GLU X 39 67.028 7.920 -5.244 1.00 0.00 C ATOM 589 C GLU X 39 67.299 8.065 -3.775 1.00 0.00 C ATOM 590 O GLU X 39 68.362 8.518 -3.381 1.00 0.00 O ATOM 591 CB GLU X 39 66.197 9.088 -5.663 1.00 0.00 C ATOM 592 CG GLU X 39 66.184 9.382 -7.129 1.00 0.00 C ATOM 593 CD GLU X 39 67.568 9.552 -7.703 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.343 10.396 -7.205 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.889 8.865 -8.700 1.00 0.00 O ATOM 0 H GLU X 39 65.406 6.745 -5.843 1.00 0.00 H new ATOM 0 HA GLU X 39 67.968 7.908 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.171 8.916 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.555 9.973 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.675 8.573 -7.653 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.607 10.290 -7.308 1.00 0.00 H new ATOM 602 N HIS X 40 66.335 7.683 -2.973 1.00 0.00 N ATOM 603 CA HIS X 40 66.407 7.833 -1.540 1.00 0.00 C ATOM 604 C HIS X 40 67.598 7.078 -1.015 1.00 0.00 C ATOM 605 O HIS X 40 68.388 7.603 -0.246 1.00 0.00 O ATOM 606 CB HIS X 40 65.108 7.319 -0.897 1.00 0.00 C ATOM 607 CG HIS X 40 65.025 7.492 0.590 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.308 8.483 1.205 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.587 6.768 1.586 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.454 8.342 2.515 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.225 7.312 2.802 1.00 0.00 N ATOM 0 H HIS X 40 65.469 7.255 -3.300 1.00 0.00 H new ATOM 0 HA HIS X 40 66.523 8.887 -1.286 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.265 7.835 -1.355 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.999 6.260 -1.131 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.758 9.203 0.737 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.218 5.902 1.451 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.000 8.988 3.252 1.00 0.00 H new ATOM 619 N PHE X 41 67.736 5.886 -1.497 1.00 0.00 N ATOM 620 CA PHE X 41 68.810 5.023 -1.160 1.00 0.00 C ATOM 621 C PHE X 41 70.159 5.652 -1.543 1.00 0.00 C ATOM 622 O PHE X 41 71.032 5.828 -0.694 1.00 0.00 O ATOM 623 CB PHE X 41 68.569 3.693 -1.864 1.00 0.00 C ATOM 624 CG PHE X 41 69.721 2.762 -1.884 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.064 2.043 -0.767 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.466 2.606 -3.024 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.140 1.182 -0.784 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.531 1.751 -3.041 1.00 0.00 C ATOM 629 CZ PHE X 41 71.875 1.040 -1.926 1.00 0.00 C ATOM 0 H PHE X 41 67.078 5.476 -2.160 1.00 0.00 H new ATOM 0 HA PHE X 41 68.853 4.858 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.729 3.193 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.270 3.896 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.483 2.153 0.137 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.209 3.162 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.401 0.622 0.102 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.108 1.636 -3.947 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.722 0.371 -1.948 1.00 0.00 H new ATOM 639 N VAL X 42 70.306 6.027 -2.791 1.00 0.00 N ATOM 640 CA VAL X 42 71.555 6.598 -3.273 1.00 0.00 C ATOM 641 C VAL X 42 71.875 7.966 -2.663 1.00 0.00 C ATOM 642 O VAL X 42 73.021 8.302 -2.466 1.00 0.00 O ATOM 643 CB VAL X 42 71.666 6.590 -4.824 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.596 7.350 -5.493 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.022 7.009 -5.323 1.00 0.00 C ATOM 0 H VAL X 42 69.576 5.949 -3.499 1.00 0.00 H new ATOM 0 HA VAL X 42 72.335 5.929 -2.911 1.00 0.00 H new ATOM 0 HB VAL X 42 71.531 5.544 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.736 7.302 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.628 6.921 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.631 8.390 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.033 6.982 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.238 8.022 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.779 6.327 -4.935 1.00 0.00 H new ATOM 655 N LYS X 43 70.879 8.731 -2.356 1.00 0.00 N ATOM 656 CA LYS X 43 71.109 10.062 -1.777 1.00 0.00 C ATOM 657 C LYS X 43 71.622 9.974 -0.332 1.00 0.00 C ATOM 658 O LYS X 43 72.414 10.800 0.089 1.00 0.00 O ATOM 659 CB LYS X 43 69.838 10.945 -1.839 1.00 0.00 C ATOM 660 CG LYS X 43 68.853 10.740 -0.669 1.00 0.00 C ATOM 661 CD LYS X 43 67.550 11.485 -0.874 1.00 0.00 C ATOM 662 CE LYS X 43 66.712 11.494 0.405 1.00 0.00 C ATOM 663 NZ LYS X 43 67.322 12.337 1.463 1.00 0.00 N ATOM 0 H LYS X 43 69.898 8.482 -2.486 1.00 0.00 H new ATOM 0 HA LYS X 43 71.881 10.534 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS X 43 70.140 11.992 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.317 10.743 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.646 9.676 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.319 11.076 0.258 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.758 12.509 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.984 11.018 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS X 43 65.711 11.862 0.180 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.601 10.474 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.416 11.782 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 68.262 12.657 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.716 13.164 1.641 1.00 0.00 H new ATOM 677 N ILE X 44 71.176 8.992 0.418 1.00 0.00 N ATOM 678 CA ILE X 44 71.577 8.906 1.810 1.00 0.00 C ATOM 679 C ILE X 44 72.857 8.121 1.970 1.00 0.00 C ATOM 680 O ILE X 44 73.643 8.372 2.869 1.00 0.00 O ATOM 681 CB ILE X 44 70.457 8.346 2.715 1.00 0.00 C ATOM 682 CG1 ILE X 44 70.002 6.967 2.234 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.284 9.315 2.728 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.893 6.371 3.051 1.00 0.00 C ATOM 0 H ILE X 44 70.548 8.254 0.100 1.00 0.00 H new ATOM 0 HA ILE X 44 71.767 9.927 2.142 1.00 0.00 H new ATOM 0 HB ILE X 44 70.847 8.235 3.727 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.674 7.045 1.197 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.855 6.289 2.248 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.493 8.921 3.366 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.614 10.280 3.113 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.904 9.439 1.714 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.628 5.394 2.646 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.222 6.259 4.084 1.00 0.00 H new ATOM 0 HD13 ILE X 44 68.023 7.027 3.017 1.00 0.00 H new ATOM 696 N THR X 45 73.071 7.185 1.083 1.00 0.00 N ATOM 697 CA THR X 45 74.267 6.401 1.121 1.00 0.00 C ATOM 698 C THR X 45 75.378 7.139 0.404 1.00 0.00 C ATOM 699 O THR X 45 76.547 7.130 0.831 1.00 0.00 O ATOM 700 CB THR X 45 74.038 5.044 0.461 1.00 0.00 C ATOM 701 OG1 THR X 45 73.629 5.224 -0.910 1.00 0.00 O ATOM 702 CG2 THR X 45 72.961 4.283 1.196 1.00 0.00 C ATOM 0 H THR X 45 72.429 6.950 0.326 1.00 0.00 H new ATOM 0 HA THR X 45 74.549 6.238 2.161 1.00 0.00 H new ATOM 0 HB THR X 45 74.971 4.482 0.496 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.654 5.149 -0.973 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.806 3.317 0.716 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.266 4.129 2.231 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.032 4.853 1.172 1.00 0.00 H new ATOM 710 N GLU X 46 74.974 7.797 -0.678 1.00 0.00 N ATOM 711 CA GLU X 46 75.805 8.586 -1.558 1.00 0.00 C ATOM 712 C GLU X 46 76.759 7.734 -2.349 1.00 0.00 C ATOM 713 O GLU X 46 77.750 8.226 -2.895 1.00 0.00 O ATOM 714 CB GLU X 46 76.493 9.691 -0.829 1.00 0.00 C ATOM 715 CG GLU X 46 75.554 10.678 -0.220 1.00 0.00 C ATOM 716 CD GLU X 46 76.292 11.794 0.406 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.767 11.631 1.551 1.00 0.00 O ATOM 718 OE2 GLU X 46 76.471 12.840 -0.243 1.00 0.00 O ATOM 0 H GLU X 46 73.998 7.788 -0.975 1.00 0.00 H new ATOM 0 HA GLU X 46 75.144 9.059 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU X 46 77.118 9.264 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.158 10.212 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.882 11.066 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.934 10.183 0.527 1.00 0.00 H new ATOM 725 N HIS X 47 76.416 6.470 -2.471 1.00 0.00 N ATOM 726 CA HIS X 47 77.199 5.552 -3.239 1.00 0.00 C ATOM 727 C HIS X 47 76.984 5.905 -4.718 1.00 0.00 C ATOM 728 O HIS X 47 75.862 6.049 -5.135 1.00 0.00 O ATOM 729 CB HIS X 47 76.759 4.104 -2.954 1.00 0.00 C ATOM 730 CG HIS X 47 77.688 3.079 -3.527 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.495 2.427 -4.720 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.859 2.628 -3.054 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.549 1.632 -4.924 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.402 1.716 -3.943 1.00 0.00 N ATOM 0 H HIS X 47 75.588 6.060 -2.039 1.00 0.00 H new ATOM 0 HA HIS X 47 78.255 5.626 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.689 3.958 -1.876 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.761 3.948 -3.362 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.310 2.930 -2.121 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.677 1.001 -5.791 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.285 1.215 -3.849 1.00 0.00 H new ATOM 742 N PRO X 48 78.043 6.004 -5.529 1.00 0.00 N ATOM 743 CA PRO X 48 77.949 6.481 -6.936 1.00 0.00 C ATOM 744 C PRO X 48 77.183 5.530 -7.805 1.00 0.00 C ATOM 745 O PRO X 48 76.612 5.894 -8.830 1.00 0.00 O ATOM 746 CB PRO X 48 79.391 6.441 -7.397 1.00 0.00 C ATOM 747 CG PRO X 48 80.202 6.412 -6.183 1.00 0.00 C ATOM 748 CD PRO X 48 79.415 5.633 -5.198 1.00 0.00 C ATOM 0 HA PRO X 48 77.452 7.449 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.579 5.562 -8.013 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.630 7.313 -8.005 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.170 5.946 -6.369 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.399 7.420 -5.819 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.582 4.561 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.671 5.898 -4.172 1.00 0.00 H new ATOM 756 N ASP X 49 77.125 4.338 -7.346 1.00 0.00 N ATOM 757 CA ASP X 49 76.593 3.277 -8.065 1.00 0.00 C ATOM 758 C ASP X 49 75.493 2.731 -7.213 1.00 0.00 C ATOM 759 O ASP X 49 75.290 1.538 -7.125 1.00 0.00 O ATOM 760 CB ASP X 49 77.669 2.204 -8.344 1.00 0.00 C ATOM 761 CG ASP X 49 78.839 2.705 -9.174 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.672 2.913 -10.391 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.953 2.905 -8.620 1.00 0.00 O ATOM 0 H ASP X 49 77.464 4.078 -6.420 1.00 0.00 H new ATOM 0 HA ASP X 49 76.224 3.594 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.046 1.826 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.204 1.363 -8.859 1.00 0.00 H new ATOM 768 N GLY X 50 74.821 3.662 -6.524 1.00 0.00 N ATOM 769 CA GLY X 50 73.727 3.374 -5.611 1.00 0.00 C ATOM 770 C GLY X 50 72.756 2.461 -6.177 1.00 0.00 C ATOM 771 O GLY X 50 72.544 1.372 -5.662 1.00 0.00 O ATOM 0 H GLY X 50 75.034 4.657 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.128 2.948 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.230 4.305 -5.340 1.00 0.00 H new ATOM 775 N THR X 51 72.264 2.814 -7.276 1.00 0.00 N ATOM 776 CA THR X 51 71.202 2.053 -7.829 1.00 0.00 C ATOM 777 C THR X 51 71.726 0.715 -8.348 1.00 0.00 C ATOM 778 O THR X 51 71.079 -0.326 -8.182 1.00 0.00 O ATOM 779 CB THR X 51 70.475 2.811 -8.911 1.00 0.00 C ATOM 780 OG1 THR X 51 70.588 4.231 -8.648 1.00 0.00 O ATOM 781 CG2 THR X 51 69.022 2.445 -8.831 1.00 0.00 C ATOM 0 H THR X 51 72.564 3.619 -7.825 1.00 0.00 H new ATOM 0 HA THR X 51 70.479 1.859 -7.037 1.00 0.00 H new ATOM 0 HB THR X 51 70.894 2.571 -9.888 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.119 4.732 -9.348 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.469 2.979 -9.604 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.908 1.371 -8.980 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.631 2.718 -7.851 1.00 0.00 H new ATOM 789 N ALA X 52 72.953 0.738 -8.865 1.00 0.00 N ATOM 790 CA ALA X 52 73.609 -0.451 -9.360 1.00 0.00 C ATOM 791 C ALA X 52 73.833 -1.440 -8.242 1.00 0.00 C ATOM 792 O ALA X 52 73.818 -2.630 -8.479 1.00 0.00 O ATOM 793 CB ALA X 52 74.905 -0.108 -10.070 1.00 0.00 C ATOM 0 H ALA X 52 73.513 1.586 -8.949 1.00 0.00 H new ATOM 0 HA ALA X 52 72.954 -0.921 -10.094 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.375 -1.023 -10.431 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.695 0.549 -10.914 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.578 0.396 -9.376 1.00 0.00 H new ATOM 799 N LEU X 53 73.998 -0.945 -7.016 1.00 0.00 N ATOM 800 CA LEU X 53 74.117 -1.829 -5.856 1.00 0.00 C ATOM 801 C LEU X 53 72.895 -2.670 -5.647 1.00 0.00 C ATOM 802 O LEU X 53 73.006 -3.851 -5.371 1.00 0.00 O ATOM 803 CB LEU X 53 74.443 -1.115 -4.561 1.00 0.00 C ATOM 804 CG LEU X 53 75.829 -0.542 -4.426 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.031 -0.068 -3.026 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.884 -1.561 -4.797 1.00 0.00 C ATOM 0 H LEU X 53 74.052 0.051 -6.801 1.00 0.00 H new ATOM 0 HA LEU X 53 74.964 -2.468 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.727 -0.303 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.284 -1.814 -3.740 1.00 0.00 H new ATOM 0 HG LEU X 53 75.929 0.297 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.033 0.348 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.294 0.700 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.913 -0.905 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.873 -1.116 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.801 -2.426 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.738 -1.876 -5.830 1.00 0.00 H new ATOM 818 N ILE X 54 71.732 -2.077 -5.790 1.00 0.00 N ATOM 819 CA ILE X 54 70.486 -2.840 -5.608 1.00 0.00 C ATOM 820 C ILE X 54 70.390 -3.863 -6.719 1.00 0.00 C ATOM 821 O ILE X 54 70.073 -5.033 -6.501 1.00 0.00 O ATOM 822 CB ILE X 54 69.231 -1.937 -5.639 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.253 -0.938 -4.488 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.957 -2.785 -5.567 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.678 0.399 -4.860 1.00 0.00 C ATOM 0 H ILE X 54 71.607 -1.093 -6.026 1.00 0.00 H new ATOM 0 HA ILE X 54 70.518 -3.316 -4.628 1.00 0.00 H new ATOM 0 HB ILE X 54 69.237 -1.386 -6.579 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.692 -1.348 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.281 -0.804 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.084 -2.133 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.924 -3.465 -6.418 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.955 -3.361 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.722 1.066 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.254 0.827 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.641 0.275 -5.171 1.00 0.00 H new ATOM 837 N TYR X 55 70.725 -3.410 -7.892 1.00 0.00 N ATOM 838 CA TYR X 55 70.695 -4.218 -9.068 1.00 0.00 C ATOM 839 C TYR X 55 71.668 -5.395 -9.003 1.00 0.00 C ATOM 840 O TYR X 55 71.294 -6.529 -9.341 1.00 0.00 O ATOM 841 CB TYR X 55 70.887 -3.364 -10.306 1.00 0.00 C ATOM 842 CG TYR X 55 69.630 -2.625 -10.702 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.580 -3.302 -11.286 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.476 -1.271 -10.463 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.416 -2.656 -11.626 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.312 -0.612 -10.791 1.00 0.00 C ATOM 847 CZ TYR X 55 67.283 -1.312 -11.374 1.00 0.00 C ATOM 848 OH TYR X 55 66.111 -0.670 -11.697 1.00 0.00 O ATOM 0 H TYR X 55 71.032 -2.451 -8.057 1.00 0.00 H new ATOM 0 HA TYR X 55 69.706 -4.671 -9.131 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.686 -2.645 -10.126 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.208 -3.997 -11.133 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.674 -4.360 -11.480 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.286 -0.719 -10.009 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.608 -3.203 -12.090 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.209 0.444 -10.592 1.00 0.00 H new ATOM 0 HH TYR X 55 65.351 -1.183 -11.352 1.00 0.00 H new ATOM 858 N GLU X 56 72.891 -5.157 -8.553 1.00 0.00 N ATOM 859 CA GLU X 56 73.823 -6.243 -8.390 1.00 0.00 C ATOM 860 C GLU X 56 73.405 -7.137 -7.242 1.00 0.00 C ATOM 861 O GLU X 56 73.492 -8.329 -7.359 1.00 0.00 O ATOM 862 CB GLU X 56 75.289 -5.804 -8.223 1.00 0.00 C ATOM 863 CG GLU X 56 75.534 -4.802 -7.116 1.00 0.00 C ATOM 864 CD GLU X 56 76.953 -4.807 -6.626 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.319 -5.701 -5.822 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.744 -3.939 -7.036 1.00 0.00 O ATOM 0 H GLU X 56 73.249 -4.236 -8.300 1.00 0.00 H new ATOM 0 HA GLU X 56 73.787 -6.800 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.898 -6.688 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.634 -5.375 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.282 -3.804 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.866 -5.019 -6.282 1.00 0.00 H new ATOM 873 N ALA X 57 72.910 -6.548 -6.149 1.00 0.00 N ATOM 874 CA ALA X 57 72.479 -7.313 -4.975 1.00 0.00 C ATOM 875 C ALA X 57 71.378 -8.291 -5.330 1.00 0.00 C ATOM 876 O ALA X 57 71.376 -9.421 -4.845 1.00 0.00 O ATOM 877 CB ALA X 57 72.028 -6.399 -3.852 1.00 0.00 C ATOM 0 H ALA X 57 72.798 -5.539 -6.053 1.00 0.00 H new ATOM 0 HA ALA X 57 73.343 -7.879 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.715 -6.999 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.853 -5.750 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.191 -5.789 -4.193 1.00 0.00 H new ATOM 1025 N GLY X 71 71.483 -10.242 -1.471 1.00 0.00 N ATOM 1026 CA GLY X 71 70.375 -10.021 -0.590 1.00 0.00 C ATOM 1027 C GLY X 71 70.254 -8.589 -0.163 1.00 0.00 C ATOM 1028 O GLY X 71 71.229 -7.821 -0.247 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.454 -10.327 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.486 -10.651 0.292 1.00 0.00 H new ATOM 1032 N PRO X 72 69.071 -8.191 0.315 1.00 0.00 N ATOM 1033 CA PRO X 72 68.816 -6.843 0.785 1.00 0.00 C ATOM 1034 C PRO X 72 69.700 -6.504 1.962 1.00 0.00 C ATOM 1035 O PRO X 72 70.228 -5.414 2.064 1.00 0.00 O ATOM 1036 CB PRO X 72 67.357 -6.881 1.216 1.00 0.00 C ATOM 1037 CG PRO X 72 67.070 -8.311 1.441 1.00 0.00 C ATOM 1038 CD PRO X 72 67.874 -9.030 0.421 1.00 0.00 C ATOM 0 HA PRO X 72 69.020 -6.090 0.024 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.197 -6.297 2.123 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.706 -6.463 0.448 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.349 -8.615 2.450 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.007 -8.523 1.327 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.116 -10.045 0.736 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.347 -9.108 -0.530 1.00 0.00 H new ATOM 1046 N GLU X 73 69.920 -7.470 2.807 1.00 0.00 N ATOM 1047 CA GLU X 73 70.733 -7.280 3.964 1.00 0.00 C ATOM 1048 C GLU X 73 72.224 -7.257 3.613 1.00 0.00 C ATOM 1049 O GLU X 73 73.080 -7.085 4.480 1.00 0.00 O ATOM 1050 CB GLU X 73 70.366 -8.287 5.039 1.00 0.00 C ATOM 1051 CG GLU X 73 68.893 -8.178 5.414 1.00 0.00 C ATOM 1052 CD GLU X 73 68.409 -9.230 6.366 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.003 -9.391 7.445 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.377 -9.885 6.068 1.00 0.00 O ATOM 0 H GLU X 73 69.538 -8.411 2.709 1.00 0.00 H new ATOM 0 HA GLU X 73 70.529 -6.294 4.383 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.581 -9.295 4.685 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.982 -8.121 5.922 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.717 -7.198 5.857 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.296 -8.229 4.504 1.00 0.00 H new ATOM 1061 N GLY X 74 72.523 -7.396 2.343 1.00 0.00 N ATOM 1062 CA GLY X 74 73.874 -7.259 1.909 1.00 0.00 C ATOM 1063 C GLY X 74 74.112 -6.004 1.115 1.00 0.00 C ATOM 1064 O GLY X 74 75.266 -5.651 0.841 1.00 0.00 O ATOM 0 H GLY X 74 71.849 -7.602 1.606 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.531 -7.262 2.779 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.144 -8.123 1.302 1.00 0.00 H new ATOM 1068 N ILE X 75 73.041 -5.294 0.765 1.00 0.00 N ATOM 1069 CA ILE X 75 73.195 -4.021 0.052 1.00 0.00 C ATOM 1070 C ILE X 75 73.692 -3.013 1.065 1.00 0.00 C ATOM 1071 O ILE X 75 74.628 -2.269 0.832 1.00 0.00 O ATOM 1072 CB ILE X 75 71.867 -3.477 -0.529 1.00 0.00 C ATOM 1073 CG1 ILE X 75 70.889 -4.612 -0.845 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.178 -2.678 -1.780 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.583 -4.181 -1.508 1.00 0.00 C ATOM 0 H ILE X 75 72.077 -5.567 0.956 1.00 0.00 H new ATOM 0 HA ILE X 75 73.875 -4.182 -0.785 1.00 0.00 H new ATOM 0 HB ILE X 75 71.388 -2.838 0.212 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.389 -5.329 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.652 -5.134 0.082 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.252 -2.287 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.839 -1.849 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.666 -3.322 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.961 -5.057 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.053 -3.490 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.801 -3.688 -2.455 1.00 0.00 H new ATOM 1087 N VAL X 76 73.046 -3.052 2.209 1.00 0.00 N ATOM 1088 CA VAL X 76 73.379 -2.251 3.386 1.00 0.00 C ATOM 1089 C VAL X 76 74.784 -2.500 3.821 1.00 0.00 C ATOM 1090 O VAL X 76 75.513 -1.592 4.166 1.00 0.00 O ATOM 1091 CB VAL X 76 72.406 -2.603 4.531 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.120 -4.066 4.617 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.752 -1.986 5.878 1.00 0.00 C ATOM 0 H VAL X 76 72.243 -3.662 2.360 1.00 0.00 H new ATOM 0 HA VAL X 76 73.285 -1.196 3.130 1.00 0.00 H new ATOM 0 HB VAL X 76 71.472 -2.118 4.249 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.430 -4.254 5.440 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.671 -4.405 3.683 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.049 -4.609 4.791 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.012 -2.290 6.618 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.739 -2.326 6.191 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.753 -0.899 5.791 1.00 0.00 H new ATOM 1103 N LYS X 77 75.129 -3.735 3.788 1.00 0.00 N ATOM 1104 CA LYS X 77 76.458 -4.196 4.129 1.00 0.00 C ATOM 1105 C LYS X 77 77.490 -3.523 3.216 1.00 0.00 C ATOM 1106 O LYS X 77 78.478 -2.965 3.687 1.00 0.00 O ATOM 1107 CB LYS X 77 76.541 -5.702 3.958 1.00 0.00 C ATOM 1108 CG LYS X 77 77.880 -6.292 4.320 1.00 0.00 C ATOM 1109 CD LYS X 77 77.989 -7.707 3.812 1.00 0.00 C ATOM 1110 CE LYS X 77 79.295 -8.337 4.223 1.00 0.00 C ATOM 1111 NZ LYS X 77 79.314 -8.693 5.651 1.00 0.00 N ATOM 0 H LYS X 77 74.492 -4.485 3.519 1.00 0.00 H new ATOM 0 HA LYS X 77 76.668 -3.938 5.167 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.772 -6.169 4.574 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.315 -5.952 2.921 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.679 -5.684 3.895 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.010 -6.277 5.402 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.160 -8.299 4.198 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.906 -7.713 2.725 1.00 0.00 H new ATOM 0 HE2 LYS X 77 79.469 -9.231 3.625 1.00 0.00 H new ATOM 0 HE3 LYS X 77 80.112 -7.647 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 80.203 -9.184 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 79.242 -7.829 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 78.511 -9.318 5.864 1.00 0.00 H new ATOM 1125 N GLU X 78 77.205 -3.538 1.919 1.00 0.00 N ATOM 1126 CA GLU X 78 78.073 -2.944 0.916 1.00 0.00 C ATOM 1127 C GLU X 78 78.196 -1.440 1.196 1.00 0.00 C ATOM 1128 O GLU X 78 79.286 -0.852 1.099 1.00 0.00 O ATOM 1129 CB GLU X 78 77.475 -3.176 -0.481 1.00 0.00 C ATOM 1130 CG GLU X 78 78.466 -3.053 -1.621 1.00 0.00 C ATOM 1131 CD GLU X 78 79.468 -4.180 -1.618 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.184 -5.247 -2.217 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.552 -4.041 -1.007 1.00 0.00 O ATOM 0 H GLU X 78 76.362 -3.965 1.535 1.00 0.00 H new ATOM 0 HA GLU X 78 79.061 -3.402 0.956 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.029 -4.170 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.668 -2.460 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.929 -3.047 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.990 -2.100 -1.545 1.00 0.00 H new ATOM 1140 N ILE X 79 77.075 -0.849 1.594 1.00 0.00 N ATOM 1141 CA ILE X 79 77.001 0.560 1.924 1.00 0.00 C ATOM 1142 C ILE X 79 77.782 0.886 3.179 1.00 0.00 C ATOM 1143 O ILE X 79 78.544 1.838 3.189 1.00 0.00 O ATOM 1144 CB ILE X 79 75.527 1.031 2.131 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.706 0.906 0.838 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.465 2.453 2.688 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.233 1.725 -0.306 1.00 0.00 C ATOM 0 H ILE X 79 76.188 -1.342 1.696 1.00 0.00 H new ATOM 0 HA ILE X 79 77.437 1.087 1.075 1.00 0.00 H new ATOM 0 HB ILE X 79 75.079 0.367 2.870 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.678 -0.142 0.538 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.678 1.206 1.043 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.424 2.747 2.819 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.976 2.490 3.650 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.951 3.138 1.993 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.598 1.581 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.235 2.779 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.250 1.410 -0.541 1.00 0.00 H new ATOM 1159 N LYS X 80 77.613 0.092 4.217 1.00 0.00 N ATOM 1160 CA LYS X 80 78.224 0.392 5.496 1.00 0.00 C ATOM 1161 C LYS X 80 79.732 0.360 5.380 1.00 0.00 C ATOM 1162 O LYS X 80 80.416 1.199 5.952 1.00 0.00 O ATOM 1163 CB LYS X 80 77.703 -0.537 6.622 1.00 0.00 C ATOM 1164 CG LYS X 80 78.264 -1.939 6.648 1.00 0.00 C ATOM 1165 CD LYS X 80 77.536 -2.792 7.667 1.00 0.00 C ATOM 1166 CE LYS X 80 78.242 -4.113 7.882 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.556 -3.926 8.547 1.00 0.00 N ATOM 0 H LYS X 80 77.059 -0.764 4.200 1.00 0.00 H new ATOM 0 HA LYS X 80 77.932 1.403 5.781 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.917 -0.065 7.581 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.619 -0.604 6.535 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.174 -2.390 5.660 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.327 -1.906 6.888 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.469 -2.255 8.613 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.515 -2.973 7.330 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.616 -4.767 8.489 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.386 -4.610 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.857 -4.822 8.980 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.262 -3.628 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 79.472 -3.197 9.284 1.00 0.00 H new ATOM 1181 N GLU X 81 80.231 -0.557 4.567 1.00 0.00 N ATOM 1182 CA GLU X 81 81.644 -0.674 4.349 1.00 0.00 C ATOM 1183 C GLU X 81 82.166 0.497 3.505 1.00 0.00 C ATOM 1184 O GLU X 81 83.220 1.051 3.798 1.00 0.00 O ATOM 1185 CB GLU X 81 81.994 -2.041 3.742 1.00 0.00 C ATOM 1186 CG GLU X 81 81.597 -3.217 4.641 1.00 0.00 C ATOM 1187 CD GLU X 81 81.932 -4.572 4.056 1.00 0.00 C ATOM 1188 OE1 GLU X 81 81.129 -5.122 3.299 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.018 -5.119 4.359 1.00 0.00 O ATOM 0 H GLU X 81 79.666 -1.230 4.049 1.00 0.00 H new ATOM 0 HA GLU X 81 82.151 -0.619 5.312 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.494 -2.143 2.779 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.066 -2.083 3.551 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.099 -3.113 5.603 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.525 -3.170 4.834 1.00 0.00 H new ATOM 1196 N TRP X 82 81.382 0.911 2.511 1.00 0.00 N ATOM 1197 CA TRP X 82 81.759 2.017 1.623 1.00 0.00 C ATOM 1198 C TRP X 82 81.724 3.321 2.379 1.00 0.00 C ATOM 1199 O TRP X 82 82.655 4.101 2.326 1.00 0.00 O ATOM 1200 CB TRP X 82 80.756 2.145 0.495 1.00 0.00 C ATOM 1201 CG TRP X 82 81.189 3.071 -0.618 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.983 2.751 -1.682 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.837 4.459 -0.788 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.134 3.839 -2.507 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.446 4.899 -1.984 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.068 5.366 -0.049 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.305 6.198 -2.460 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.932 6.655 -0.520 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.545 7.062 -1.716 1.00 0.00 C ATOM 0 H TRP X 82 80.475 0.496 2.297 1.00 0.00 H new ATOM 0 HA TRP X 82 82.758 1.809 1.239 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.568 1.156 0.077 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.811 2.503 0.903 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.428 1.782 -1.851 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.674 3.854 -3.372 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.591 5.062 0.871 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.776 6.513 -3.379 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.343 7.365 0.042 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.415 8.078 -2.057 1.00 0.00 H new ATOM 1220 N ARG X 83 80.634 3.525 3.100 1.00 0.00 N ATOM 1221 CA ARG X 83 80.364 4.753 3.822 1.00 0.00 C ATOM 1222 C ARG X 83 81.471 4.968 4.840 1.00 0.00 C ATOM 1223 O ARG X 83 82.023 6.060 4.950 1.00 0.00 O ATOM 1224 CB ARG X 83 79.065 4.596 4.598 1.00 0.00 C ATOM 1225 CG ARG X 83 78.441 5.869 5.084 1.00 0.00 C ATOM 1226 CD ARG X 83 77.594 6.625 4.054 1.00 0.00 C ATOM 1227 NE ARG X 83 77.075 7.854 4.681 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.749 9.013 4.079 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.676 9.113 2.757 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.468 10.066 4.827 1.00 0.00 N ATOM 0 H ARG X 83 79.898 2.826 3.201 1.00 0.00 H new ATOM 0 HA ARG X 83 80.301 5.585 3.120 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.345 4.079 3.964 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.252 3.953 5.458 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.814 5.640 5.946 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.233 6.531 5.433 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.195 6.872 3.179 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.770 6.000 3.709 1.00 0.00 H new ATOM 0 HE ARG X 83 76.948 7.822 5.693 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.869 8.300 2.173 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.427 10.003 2.326 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.500 9.992 5.844 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.219 10.952 4.387 1.00 0.00 H new ATOM 1244 N ALA X 84 81.806 3.898 5.548 1.00 0.00 N ATOM 1245 CA ALA X 84 82.834 3.924 6.562 1.00 0.00 C ATOM 1246 C ALA X 84 84.191 4.218 5.944 1.00 0.00 C ATOM 1247 O ALA X 84 84.929 5.070 6.438 1.00 0.00 O ATOM 1248 CB ALA X 84 82.856 2.609 7.314 1.00 0.00 C ATOM 0 H ALA X 84 81.366 2.986 5.429 1.00 0.00 H new ATOM 0 HA ALA X 84 82.608 4.723 7.268 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.635 2.639 8.076 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.889 2.445 7.789 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.061 1.795 6.618 1.00 0.00 H new ATOM 1254 N ALA X 85 84.482 3.551 4.837 1.00 0.00 N ATOM 1255 CA ALA X 85 85.741 3.726 4.129 1.00 0.00 C ATOM 1256 C ALA X 85 85.855 5.124 3.552 1.00 0.00 C ATOM 1257 O ALA X 85 86.911 5.751 3.626 1.00 0.00 O ATOM 1258 CB ALA X 85 85.887 2.690 3.032 1.00 0.00 C ATOM 0 H ALA X 85 83.853 2.874 4.405 1.00 0.00 H new ATOM 0 HA ALA X 85 86.549 3.589 4.848 1.00 0.00 H new ATOM 0 HB1 ALA X 85 86.835 2.839 2.515 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.865 1.692 3.469 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.066 2.794 2.322 1.00 0.00 H new ATOM 1264 N ASN X 86 84.758 5.621 3.001 1.00 0.00 N ATOM 1265 CA ASN X 86 84.717 6.956 2.410 1.00 0.00 C ATOM 1266 C ASN X 86 84.943 7.993 3.497 1.00 0.00 C ATOM 1267 O ASN X 86 85.521 9.042 3.262 1.00 0.00 O ATOM 1268 CB ASN X 86 83.356 7.232 1.746 1.00 0.00 C ATOM 1269 CG ASN X 86 83.402 8.406 0.776 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.268 9.608 1.265 1.00 0.00 O flip ATOM 1271 ND2 ASN X 86 83.598 8.225 -0.420 1.00 0.00 N flip ATOM 0 H ASN X 86 83.874 5.116 2.949 1.00 0.00 H new ATOM 0 HA ASN X 86 85.497 7.013 1.651 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.028 6.339 1.214 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.614 7.433 2.518 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.700 7.277 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.659 9.022 -1.053 1.00 0.00 H new ATOM 1278 N GLY X 87 84.482 7.680 4.683 1.00 0.00 N ATOM 1279 CA GLY X 87 84.632 8.578 5.787 1.00 0.00 C ATOM 1280 C GLY X 87 83.348 9.288 6.087 1.00 0.00 C ATOM 1281 O GLY X 87 83.346 10.429 6.532 1.00 0.00 O ATOM 0 H GLY X 87 84.000 6.808 4.902 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.959 8.025 6.667 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.410 9.308 5.562 1.00 0.00 H new ATOM 1285 N LYS X 88 82.246 8.623 5.845 1.00 0.00 N ATOM 1286 CA LYS X 88 80.986 9.173 6.037 1.00 0.00 C ATOM 1287 C LYS X 88 80.300 8.449 7.178 1.00 0.00 C ATOM 1288 O LYS X 88 80.518 7.234 7.353 1.00 0.00 O ATOM 1289 CB LYS X 88 80.216 8.968 4.762 1.00 0.00 C ATOM 1290 CG LYS X 88 80.572 9.894 3.619 1.00 0.00 C ATOM 1291 CD LYS X 88 79.844 9.492 2.349 1.00 0.00 C ATOM 1292 CE LYS X 88 80.073 10.473 1.209 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.501 11.818 1.477 1.00 0.00 N ATOM 0 H LYS X 88 82.232 7.663 5.501 1.00 0.00 H new ATOM 0 HA LYS X 88 81.046 10.233 6.282 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.365 7.940 4.431 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.154 9.082 4.979 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.313 10.919 3.882 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.648 9.871 3.449 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.176 8.500 2.042 1.00 0.00 H new ATOM 0 HD3 LYS X 88 78.776 9.421 2.554 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.144 10.569 1.029 1.00 0.00 H new ATOM 0 HE3 LYS X 88 79.631 10.071 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.489 12.372 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.530 11.717 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.083 12.308 2.186 1.00 0.00 H new ATOM 1307 N PRO X 89 79.502 9.162 7.990 1.00 0.00 N ATOM 1308 CA PRO X 89 78.726 8.540 9.053 1.00 0.00 C ATOM 1309 C PRO X 89 77.712 7.606 8.448 1.00 0.00 C ATOM 1310 O PRO X 89 77.105 7.921 7.403 1.00 0.00 O ATOM 1311 CB PRO X 89 78.016 9.706 9.749 1.00 0.00 C ATOM 1312 CG PRO X 89 78.720 10.935 9.290 1.00 0.00 C ATOM 1313 CD PRO X 89 79.305 10.620 7.946 1.00 0.00 C ATOM 0 HA PRO X 89 79.341 7.962 9.743 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.960 9.737 9.483 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.069 9.606 10.833 1.00 0.00 H new ATOM 0 HG2 PRO X 89 78.029 11.775 9.224 1.00 0.00 H new ATOM 0 HG3 PRO X 89 79.501 11.220 9.995 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.633 10.910 7.138 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.245 11.147 7.784 1.00 0.00 H new ATOM 1321 N GLY X 90 77.536 6.481 9.052 1.00 0.00 N ATOM 1322 CA GLY X 90 76.661 5.517 8.508 1.00 0.00 C ATOM 1323 C GLY X 90 75.419 5.366 9.310 1.00 0.00 C ATOM 1324 O GLY X 90 74.741 6.349 9.626 1.00 0.00 O ATOM 0 H GLY X 90 77.990 6.212 9.925 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.400 5.801 7.488 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.173 4.556 8.451 1.00 0.00 H new ATOM 1328 N PHE X 91 75.169 4.156 9.696 1.00 0.00 N ATOM 1329 CA PHE X 91 73.956 3.780 10.358 1.00 0.00 C ATOM 1330 C PHE X 91 74.027 4.073 11.830 1.00 0.00 C ATOM 1331 O PHE X 91 75.122 4.098 12.429 1.00 0.00 O ATOM 1332 CB PHE X 91 73.672 2.296 10.107 1.00 0.00 C ATOM 1333 CG PHE X 91 73.611 1.980 8.645 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.437 2.127 7.954 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.743 1.573 7.955 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.384 1.871 6.611 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.692 1.321 6.607 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.511 1.469 5.934 1.00 0.00 C ATOM 0 H PHE X 91 75.817 3.381 9.557 1.00 0.00 H new ATOM 0 HA PHE X 91 73.137 4.371 9.949 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.449 1.693 10.577 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.728 2.022 10.578 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.546 2.448 8.474 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.676 1.453 8.485 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.451 1.985 6.079 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.581 1.007 6.080 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.464 1.271 4.873 1.00 0.00 H new ATOM 1348 N LYS X 92 72.882 4.304 12.405 1.00 0.00 N ATOM 1349 CA LYS X 92 72.758 4.597 13.780 1.00 0.00 C ATOM 1350 C LYS X 92 72.735 3.305 14.565 1.00 0.00 C ATOM 1351 O LYS X 92 72.804 2.207 13.998 1.00 0.00 O ATOM 1352 CB LYS X 92 71.456 5.355 14.008 1.00 0.00 C ATOM 1353 CG LYS X 92 70.203 4.496 13.975 1.00 0.00 C ATOM 1354 CD LYS X 92 68.934 5.294 14.254 1.00 0.00 C ATOM 1355 CE LYS X 92 68.937 5.955 15.616 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.697 6.743 15.852 1.00 0.00 N ATOM 0 H LYS X 92 71.993 4.290 11.906 1.00 0.00 H new ATOM 0 HA LYS X 92 73.600 5.205 14.109 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.509 5.858 14.974 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.367 6.132 13.249 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.120 4.019 12.998 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.295 3.698 14.712 1.00 0.00 H new ATOM 0 HD2 LYS X 92 68.816 6.058 13.486 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.071 4.632 14.180 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.036 5.193 16.389 1.00 0.00 H new ATOM 0 HE3 LYS X 92 69.805 6.609 15.700 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 67.888 7.491 16.549 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.384 7.174 14.959 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 66.951 6.116 16.214 1.00 0.00 H new ATOM 1370 N GLN X 93 72.610 3.436 15.837 1.00 0.00 N ATOM 1371 CA GLN X 93 72.541 2.337 16.704 1.00 0.00 C ATOM 1372 C GLN X 93 71.089 1.919 16.896 1.00 0.00 C ATOM 1373 O GLN X 93 70.184 2.760 16.977 1.00 0.00 O ATOM 1374 CB GLN X 93 73.182 2.687 18.030 1.00 0.00 C ATOM 1375 CG GLN X 93 74.726 2.677 18.055 1.00 0.00 C ATOM 1376 CD GLN X 93 75.417 3.769 17.227 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.497 3.551 16.690 1.00 0.00 O ATOM 1378 NE2 GLN X 93 74.849 4.952 17.171 1.00 0.00 N ATOM 0 H GLN X 93 72.552 4.339 16.307 1.00 0.00 H new ATOM 0 HA GLN X 93 73.085 1.498 16.270 1.00 0.00 H new ATOM 0 HB2 GLN X 93 72.839 3.678 18.327 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.821 1.986 18.783 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.054 2.771 19.090 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.070 1.706 17.699 1.00 0.00 H new ATOM 0 HE21 GLN X 93 73.950 5.108 17.626 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.307 5.715 16.672 1.00 0.00 H new ATOM 1387 N GLY X 94 70.887 0.645 16.928 1.00 0.00 N ATOM 1388 CA GLY X 94 69.591 0.055 17.104 1.00 0.00 C ATOM 1389 C GLY X 94 69.644 -1.360 16.620 1.00 0.00 C ATOM 1390 O GLY X 94 68.620 -1.932 16.213 1.00 0.00 O ATOM 1391 OXT GLY X 94 70.777 -1.920 16.573 1.00 0.00 O ATOM 0 H GLY X 94 71.637 -0.040 16.830 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.300 0.086 18.154 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.840 0.617 16.549 1.00 0.00 H new