USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 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 10 TYR OH : rot 179:sc= -0.402 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -1.68! X(o=-2.1!,f=-1.8) USER MOD Single : X 4 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0.192) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) 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 134:sc= 0.804 USER MOD Single : X 17 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.12) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.17) USER MOD Single : X 26 ASN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : X 30 THR OG1 : rot -100:sc= -0.321 USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot 41:sc= -3.47! USER MOD Single : X 47 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-4.7!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.152 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ -131:sc= 2.08 (180deg=0.643) USER MOD Single : X 80 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.05) USER MOD Single : X 86 ASN :FLIP amide:sc=-0.000343 F(o=-0.86,f=-0.00034) USER MOD Single : X 88 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.887) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 61.000 5.511 6.249 1.00 0.00 N ATOM 17 CA LEU X 3 61.966 6.319 5.555 1.00 0.00 C ATOM 18 C LEU X 3 62.445 7.445 6.454 1.00 0.00 C ATOM 19 O LEU X 3 61.661 8.001 7.241 1.00 0.00 O ATOM 20 CB LEU X 3 61.365 6.894 4.267 1.00 0.00 C ATOM 21 CG LEU X 3 60.984 5.874 3.201 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.405 6.555 1.961 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.189 5.052 2.835 1.00 0.00 C ATOM 0 HA LEU X 3 62.815 5.690 5.289 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.476 7.468 4.528 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.081 7.593 3.835 1.00 0.00 H new ATOM 0 HG LEU X 3 60.212 5.221 3.609 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.143 5.800 1.220 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.513 7.116 2.238 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.146 7.235 1.540 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.914 4.323 2.073 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.971 5.705 2.448 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.556 4.531 3.719 1.00 0.00 H new ATOM 35 N LYS X 4 63.719 7.738 6.383 1.00 0.00 N ATOM 36 CA LYS X 4 64.310 8.809 7.143 1.00 0.00 C ATOM 37 C LYS X 4 64.729 9.904 6.179 1.00 0.00 C ATOM 38 O LYS X 4 64.520 9.786 4.986 1.00 0.00 O ATOM 39 CB LYS X 4 65.557 8.332 7.906 1.00 0.00 C ATOM 40 CG LYS X 4 65.438 7.019 8.676 1.00 0.00 C ATOM 41 CD LYS X 4 64.150 6.884 9.416 1.00 0.00 C ATOM 42 CE LYS X 4 64.329 5.967 10.613 1.00 0.00 C ATOM 43 NZ LYS X 4 63.061 5.592 11.269 1.00 0.00 N ATOM 0 H LYS X 4 64.380 7.235 5.791 1.00 0.00 H new ATOM 0 HA LYS X 4 63.577 9.169 7.865 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.374 8.233 7.191 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.843 9.113 8.610 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.538 6.187 7.979 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.265 6.944 9.383 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.808 7.864 9.747 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.382 6.485 8.754 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.843 5.061 10.292 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.974 6.458 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.203 5.545 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.334 6.304 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.751 4.663 10.920 1.00 0.00 H new ATOM 57 N ASN X 5 65.305 10.962 6.677 1.00 0.00 N ATOM 58 CA ASN X 5 65.797 11.998 5.794 1.00 0.00 C ATOM 59 C ASN X 5 67.245 11.739 5.441 1.00 0.00 C ATOM 60 O ASN X 5 67.651 11.917 4.290 1.00 0.00 O ATOM 61 CB ASN X 5 65.599 13.411 6.370 1.00 0.00 C ATOM 62 CG ASN X 5 64.136 13.806 6.478 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.488 13.565 7.490 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.601 14.409 5.448 1.00 0.00 N ATOM 0 H ASN X 5 65.447 11.135 7.672 1.00 0.00 H new ATOM 0 HA ASN X 5 65.203 11.960 4.881 1.00 0.00 H new ATOM 0 HB2 ASN X 5 66.058 13.463 7.357 1.00 0.00 H new ATOM 0 HB3 ASN X 5 66.119 14.131 5.739 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.621 14.691 5.474 1.00 0.00 H new ATOM 0 HD22 ASN X 5 64.164 14.597 4.618 1.00 0.00 H new ATOM 71 N SER X 6 68.019 11.285 6.409 1.00 0.00 N ATOM 72 CA SER X 6 69.416 10.976 6.191 1.00 0.00 C ATOM 73 C SER X 6 69.739 9.556 6.678 1.00 0.00 C ATOM 74 O SER X 6 68.944 8.947 7.410 1.00 0.00 O ATOM 75 CB SER X 6 70.303 12.004 6.889 1.00 0.00 C ATOM 76 OG SER X 6 70.012 12.065 8.276 1.00 0.00 O ATOM 0 H SER X 6 67.697 11.121 7.363 1.00 0.00 H new ATOM 0 HA SER X 6 69.617 11.020 5.121 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.351 11.743 6.744 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.153 12.985 6.438 1.00 0.00 H new ATOM 0 HG SER X 6 70.593 12.729 8.703 1.00 0.00 H new ATOM 82 N ILE X 7 70.919 9.050 6.299 1.00 0.00 N ATOM 83 CA ILE X 7 71.382 7.690 6.659 1.00 0.00 C ATOM 84 C ILE X 7 71.631 7.606 8.190 1.00 0.00 C ATOM 85 O ILE X 7 71.703 6.533 8.771 1.00 0.00 O ATOM 86 CB ILE X 7 72.733 7.363 5.905 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.030 5.867 5.850 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.911 8.089 6.510 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.211 5.145 4.824 1.00 0.00 C ATOM 0 H ILE X 7 71.588 9.570 5.731 1.00 0.00 H new ATOM 0 HA ILE X 7 70.615 6.972 6.369 1.00 0.00 H new ATOM 0 HB ILE X 7 72.587 7.718 4.885 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.088 5.720 5.632 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.843 5.429 6.830 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.817 7.834 5.960 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.743 9.165 6.454 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.024 7.793 7.553 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.468 4.086 4.833 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.152 5.264 5.054 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.416 5.560 3.837 1.00 0.00 H new ATOM 101 N SER X 8 71.685 8.761 8.824 1.00 0.00 N ATOM 102 CA SER X 8 72.048 8.876 10.205 1.00 0.00 C ATOM 103 C SER X 8 70.894 8.521 11.140 1.00 0.00 C ATOM 104 O SER X 8 71.108 8.216 12.314 1.00 0.00 O ATOM 105 CB SER X 8 72.575 10.283 10.462 1.00 0.00 C ATOM 106 OG SER X 8 73.685 10.559 9.595 1.00 0.00 O ATOM 0 H SER X 8 71.473 9.654 8.379 1.00 0.00 H new ATOM 0 HA SER X 8 72.834 8.153 10.422 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.783 11.013 10.295 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.883 10.380 11.503 1.00 0.00 H new ATOM 0 HG SER X 8 74.016 11.465 9.766 1.00 0.00 H new ATOM 112 N ASP X 9 69.680 8.524 10.620 1.00 0.00 N ATOM 113 CA ASP X 9 68.531 8.171 11.449 1.00 0.00 C ATOM 114 C ASP X 9 68.193 6.722 11.181 1.00 0.00 C ATOM 115 O ASP X 9 67.290 6.142 11.771 1.00 0.00 O ATOM 116 CB ASP X 9 67.314 9.027 11.105 1.00 0.00 C ATOM 117 CG ASP X 9 66.307 9.104 12.236 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.428 10.009 13.090 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.389 8.284 12.306 1.00 0.00 O ATOM 0 H ASP X 9 69.461 8.760 9.652 1.00 0.00 H new ATOM 0 HA ASP X 9 68.783 8.339 12.496 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.645 10.034 10.851 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.827 8.618 10.219 1.00 0.00 H new ATOM 124 N TYR X 10 68.971 6.123 10.338 1.00 0.00 N ATOM 125 CA TYR X 10 68.701 4.797 9.879 1.00 0.00 C ATOM 126 C TYR X 10 69.416 3.807 10.710 1.00 0.00 C ATOM 127 O TYR X 10 70.635 3.860 10.829 1.00 0.00 O ATOM 128 CB TYR X 10 69.108 4.592 8.402 1.00 0.00 C ATOM 129 CG TYR X 10 67.994 4.734 7.387 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.087 3.702 7.201 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.858 5.868 6.598 1.00 0.00 C ATOM 132 CE1 TYR X 10 66.076 3.788 6.270 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.837 5.962 5.658 1.00 0.00 C ATOM 134 CZ TYR X 10 65.956 4.911 5.505 1.00 0.00 C ATOM 135 OH TYR X 10 64.943 4.995 4.598 1.00 0.00 O ATOM 0 H TYR X 10 69.815 6.541 9.946 1.00 0.00 H new ATOM 0 HA TYR X 10 67.624 4.653 9.962 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.891 5.310 8.157 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.543 3.598 8.299 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.176 2.808 7.801 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.553 6.687 6.715 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.381 2.970 6.146 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.735 6.851 5.053 1.00 0.00 H new ATOM 0 HH TYR X 10 64.982 5.862 4.143 1.00 0.00 H new ATOM 145 N THR X 11 68.678 2.941 11.334 1.00 0.00 N ATOM 146 CA THR X 11 69.280 1.816 11.953 1.00 0.00 C ATOM 147 C THR X 11 69.553 0.886 10.793 1.00 0.00 C ATOM 148 O THR X 11 68.920 1.054 9.713 1.00 0.00 O ATOM 149 CB THR X 11 68.312 1.132 12.955 1.00 0.00 C ATOM 150 OG1 THR X 11 67.152 0.669 12.271 1.00 0.00 O ATOM 151 CG2 THR X 11 67.884 2.091 14.052 1.00 0.00 C ATOM 0 H THR X 11 67.664 2.997 11.424 1.00 0.00 H new ATOM 0 HA THR X 11 70.168 2.085 12.525 1.00 0.00 H new ATOM 0 HB THR X 11 68.842 0.294 13.408 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.949 -0.247 12.555 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.207 1.581 14.737 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.762 2.434 14.599 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.375 2.947 13.609 1.00 0.00 H new ATOM 159 N GLU X 12 70.437 -0.051 10.927 1.00 0.00 N ATOM 160 CA GLU X 12 70.670 -0.907 9.808 1.00 0.00 C ATOM 161 C GLU X 12 69.443 -1.757 9.481 1.00 0.00 C ATOM 162 O GLU X 12 69.166 -1.997 8.333 1.00 0.00 O ATOM 163 CB GLU X 12 71.974 -1.688 9.895 1.00 0.00 C ATOM 164 CG GLU X 12 72.219 -2.407 11.195 1.00 0.00 C ATOM 165 CD GLU X 12 73.495 -3.196 11.151 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.600 -4.154 10.346 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.441 -2.867 11.891 1.00 0.00 O ATOM 0 H GLU X 12 70.989 -0.239 11.763 1.00 0.00 H new ATOM 0 HA GLU X 12 70.821 -0.260 8.944 1.00 0.00 H new ATOM 0 HB2 GLU X 12 71.992 -2.420 9.087 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.801 -1.000 9.720 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.264 -1.684 12.010 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.384 -3.074 11.407 1.00 0.00 H new ATOM 174 N ALA X 13 68.652 -2.094 10.492 1.00 0.00 N ATOM 175 CA ALA X 13 67.410 -2.837 10.271 1.00 0.00 C ATOM 176 C ALA X 13 66.359 -1.961 9.559 1.00 0.00 C ATOM 177 O ALA X 13 65.631 -2.462 8.698 1.00 0.00 O ATOM 178 CB ALA X 13 66.856 -3.384 11.573 1.00 0.00 C ATOM 0 H ALA X 13 68.843 -1.868 11.468 1.00 0.00 H new ATOM 0 HA ALA X 13 67.644 -3.682 9.624 1.00 0.00 H new ATOM 0 HB1 ALA X 13 65.934 -3.930 11.375 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.586 -4.056 12.025 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.650 -2.560 12.256 1.00 0.00 H new ATOM 184 N GLU X 14 66.276 -0.661 9.917 1.00 0.00 N ATOM 185 CA GLU X 14 65.386 0.292 9.205 1.00 0.00 C ATOM 186 C GLU X 14 65.761 0.322 7.752 1.00 0.00 C ATOM 187 O GLU X 14 64.908 0.347 6.861 1.00 0.00 O ATOM 188 CB GLU X 14 65.517 1.725 9.769 1.00 0.00 C ATOM 189 CG GLU X 14 64.617 2.050 10.945 1.00 0.00 C ATOM 190 CD GLU X 14 63.167 2.132 10.543 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.729 3.200 10.066 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.437 1.150 10.695 1.00 0.00 O ATOM 0 H GLU X 14 66.806 -0.248 10.684 1.00 0.00 H new ATOM 0 HA GLU X 14 64.358 -0.045 9.341 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.552 1.884 10.072 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.307 2.433 8.967 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.737 1.287 11.714 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.925 2.998 11.385 1.00 0.00 H new ATOM 199 N PHE X 15 67.045 0.288 7.525 1.00 0.00 N ATOM 200 CA PHE X 15 67.571 0.337 6.212 1.00 0.00 C ATOM 201 C PHE X 15 67.287 -0.970 5.492 1.00 0.00 C ATOM 202 O PHE X 15 66.830 -0.944 4.366 1.00 0.00 O ATOM 203 CB PHE X 15 69.060 0.644 6.259 1.00 0.00 C ATOM 204 CG PHE X 15 69.635 1.150 4.970 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.317 2.414 4.505 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.508 0.383 4.246 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.867 2.890 3.336 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.065 0.854 3.079 1.00 0.00 C ATOM 209 CZ PHE X 15 70.743 2.111 2.626 1.00 0.00 C ATOM 0 H PHE X 15 67.751 0.225 8.259 1.00 0.00 H new ATOM 0 HA PHE X 15 67.086 1.137 5.653 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.240 1.385 7.038 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.595 -0.260 6.550 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.631 3.033 5.064 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.763 -0.606 4.596 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.608 3.876 2.979 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.754 0.237 2.520 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.180 2.484 1.712 1.00 0.00 H new ATOM 219 N VAL X 16 67.508 -2.122 6.163 1.00 0.00 N ATOM 220 CA VAL X 16 67.253 -3.419 5.529 1.00 0.00 C ATOM 221 C VAL X 16 65.782 -3.569 5.175 1.00 0.00 C ATOM 222 O VAL X 16 65.464 -4.148 4.180 1.00 0.00 O ATOM 223 CB VAL X 16 67.740 -4.683 6.328 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.129 -4.575 6.850 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.766 -5.186 7.352 1.00 0.00 C ATOM 0 H VAL X 16 67.854 -2.174 7.121 1.00 0.00 H new ATOM 0 HA VAL X 16 67.868 -3.397 4.629 1.00 0.00 H new ATOM 0 HB VAL X 16 67.777 -5.464 5.569 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.387 -5.487 7.388 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.820 -4.436 6.019 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.198 -3.723 7.526 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.184 -6.059 7.854 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.573 -4.403 8.086 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.833 -5.462 6.862 1.00 0.00 H new ATOM 235 N GLN X 17 64.901 -3.019 6.003 1.00 0.00 N ATOM 236 CA GLN X 17 63.480 -3.026 5.777 1.00 0.00 C ATOM 237 C GLN X 17 63.179 -2.351 4.456 1.00 0.00 C ATOM 238 O GLN X 17 62.411 -2.864 3.636 1.00 0.00 O ATOM 239 CB GLN X 17 62.847 -2.307 6.975 1.00 0.00 C ATOM 240 CG GLN X 17 61.356 -2.085 6.961 1.00 0.00 C ATOM 241 CD GLN X 17 60.920 -0.788 6.268 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.865 0.269 6.898 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.555 -0.859 5.017 1.00 0.00 N ATOM 0 H GLN X 17 65.172 -2.548 6.866 1.00 0.00 H new ATOM 0 HA GLN X 17 63.068 -4.033 5.705 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.091 -2.875 7.872 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.328 -1.334 7.073 1.00 0.00 H new ATOM 0 HG2 GLN X 17 60.879 -2.928 6.462 1.00 0.00 H new ATOM 0 HG3 GLN X 17 60.992 -2.075 7.988 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.611 -1.747 4.519 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.214 -0.026 4.537 1.00 0.00 H new ATOM 252 N LEU X 18 63.814 -1.229 4.253 1.00 0.00 N ATOM 253 CA LEU X 18 63.689 -0.467 3.042 1.00 0.00 C ATOM 254 C LEU X 18 64.294 -1.257 1.887 1.00 0.00 C ATOM 255 O LEU X 18 63.703 -1.378 0.826 1.00 0.00 O ATOM 256 CB LEU X 18 64.369 0.903 3.278 1.00 0.00 C ATOM 257 CG LEU X 18 64.348 1.961 2.155 1.00 0.00 C ATOM 258 CD1 LEU X 18 65.437 1.717 1.139 1.00 0.00 C ATOM 259 CD2 LEU X 18 62.997 1.996 1.470 1.00 0.00 C ATOM 0 H LEU X 18 64.444 -0.812 4.938 1.00 0.00 H new ATOM 0 HA LEU X 18 62.649 -0.283 2.774 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.907 1.350 4.158 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.413 0.712 3.528 1.00 0.00 H new ATOM 0 HG LEU X 18 64.532 2.929 2.622 1.00 0.00 H new ATOM 0 HD11 LEU X 18 65.390 2.482 0.364 1.00 0.00 H new ATOM 0 HD12 LEU X 18 66.409 1.758 1.631 1.00 0.00 H new ATOM 0 HD13 LEU X 18 65.300 0.735 0.687 1.00 0.00 H new ATOM 0 HD21 LEU X 18 63.008 2.750 0.683 1.00 0.00 H new ATOM 0 HD22 LEU X 18 62.784 1.019 1.035 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.226 2.244 2.199 1.00 0.00 H new ATOM 271 N LEU X 19 65.432 -1.827 2.149 1.00 0.00 N ATOM 272 CA LEU X 19 66.165 -2.646 1.202 1.00 0.00 C ATOM 273 C LEU X 19 65.356 -3.837 0.702 1.00 0.00 C ATOM 274 O LEU X 19 65.297 -4.104 -0.501 1.00 0.00 O ATOM 275 CB LEU X 19 67.418 -3.119 1.859 1.00 0.00 C ATOM 276 CG LEU X 19 68.430 -2.037 2.171 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.705 -2.619 2.618 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.643 -1.109 1.014 1.00 0.00 C ATOM 0 H LEU X 19 65.899 -1.739 3.052 1.00 0.00 H new ATOM 0 HA LEU X 19 66.389 -2.035 0.327 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.154 -3.626 2.787 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.890 -3.861 1.214 1.00 0.00 H new ATOM 0 HG LEU X 19 68.018 -1.443 2.987 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.414 -1.820 2.835 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.539 -3.211 3.518 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.109 -3.258 1.832 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.377 -0.351 1.286 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.007 -1.675 0.156 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.700 -0.626 0.757 1.00 0.00 H new ATOM 290 N LYS X 20 64.720 -4.522 1.631 1.00 0.00 N ATOM 291 CA LYS X 20 63.867 -5.668 1.350 1.00 0.00 C ATOM 292 C LYS X 20 62.698 -5.244 0.483 1.00 0.00 C ATOM 293 O LYS X 20 62.251 -5.990 -0.407 1.00 0.00 O ATOM 294 CB LYS X 20 63.362 -6.284 2.669 1.00 0.00 C ATOM 295 CG LYS X 20 64.480 -6.849 3.542 1.00 0.00 C ATOM 296 CD LYS X 20 63.995 -7.341 4.903 1.00 0.00 C ATOM 297 CE LYS X 20 63.071 -8.524 4.777 1.00 0.00 C ATOM 298 NZ LYS X 20 62.674 -9.065 6.095 1.00 0.00 N ATOM 0 H LYS X 20 64.780 -4.296 2.624 1.00 0.00 H new ATOM 0 HA LYS X 20 64.445 -6.420 0.812 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.820 -5.524 3.232 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.652 -7.079 2.442 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.961 -7.674 3.016 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.239 -6.081 3.691 1.00 0.00 H new ATOM 0 HD2 LYS X 20 64.853 -7.615 5.517 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.479 -6.531 5.419 1.00 0.00 H new ATOM 0 HE2 LYS X 20 62.179 -8.229 4.224 1.00 0.00 H new ATOM 0 HE3 LYS X 20 63.562 -9.306 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 62.039 -9.877 5.960 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.522 -9.371 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 62.182 -8.328 6.639 1.00 0.00 H new ATOM 312 N GLU X 21 62.214 -4.039 0.725 1.00 0.00 N ATOM 313 CA GLU X 21 61.132 -3.513 -0.044 1.00 0.00 C ATOM 314 C GLU X 21 61.554 -3.086 -1.426 1.00 0.00 C ATOM 315 O GLU X 21 60.786 -3.268 -2.375 1.00 0.00 O ATOM 316 CB GLU X 21 60.357 -2.426 0.672 1.00 0.00 C ATOM 317 CG GLU X 21 59.557 -2.940 1.846 1.00 0.00 C ATOM 318 CD GLU X 21 58.380 -2.069 2.134 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.318 -2.289 1.501 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.477 -1.160 2.965 1.00 0.00 O ATOM 0 H GLU X 21 62.563 -3.415 1.453 1.00 0.00 H new ATOM 0 HA GLU X 21 60.439 -4.346 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.052 -1.663 1.021 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.683 -1.943 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.217 -3.955 1.639 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.196 -2.992 2.727 1.00 0.00 H new ATOM 327 N ILE X 22 62.775 -2.553 -1.557 1.00 0.00 N ATOM 328 CA ILE X 22 63.282 -2.163 -2.870 1.00 0.00 C ATOM 329 C ILE X 22 63.312 -3.376 -3.763 1.00 0.00 C ATOM 330 O ILE X 22 62.842 -3.330 -4.858 1.00 0.00 O ATOM 331 CB ILE X 22 64.714 -1.563 -2.865 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.844 -0.391 -1.901 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.057 -1.092 -4.275 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.235 0.229 -1.888 1.00 0.00 C ATOM 0 H ILE X 22 63.417 -2.386 -0.782 1.00 0.00 H new ATOM 0 HA ILE X 22 62.606 -1.384 -3.222 1.00 0.00 H new ATOM 0 HB ILE X 22 65.402 -2.341 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.116 0.374 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.595 -0.728 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.061 -0.669 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.014 -1.938 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.341 -0.333 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.257 1.058 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.966 -0.523 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.479 0.596 -2.885 1.00 0.00 H new ATOM 346 N GLU X 23 63.795 -4.497 -3.229 1.00 0.00 N ATOM 347 CA GLU X 23 63.900 -5.739 -4.003 1.00 0.00 C ATOM 348 C GLU X 23 62.553 -6.133 -4.553 1.00 0.00 C ATOM 349 O GLU X 23 62.415 -6.474 -5.728 1.00 0.00 O ATOM 350 CB GLU X 23 64.315 -6.878 -3.122 1.00 0.00 C ATOM 351 CG GLU X 23 65.682 -6.825 -2.524 1.00 0.00 C ATOM 352 CD GLU X 23 66.002 -8.165 -1.937 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.331 -8.584 -0.959 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.844 -8.872 -2.506 1.00 0.00 O ATOM 0 H GLU X 23 64.120 -4.574 -2.265 1.00 0.00 H new ATOM 0 HA GLU X 23 64.626 -5.554 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.594 -6.953 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.237 -7.797 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.417 -6.560 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.728 -6.055 -1.754 1.00 0.00 H new ATOM 361 N LYS X 24 61.574 -6.037 -3.690 1.00 0.00 N ATOM 362 CA LYS X 24 60.225 -6.413 -3.975 1.00 0.00 C ATOM 363 C LYS X 24 59.648 -5.604 -5.131 1.00 0.00 C ATOM 364 O LYS X 24 59.058 -6.168 -6.055 1.00 0.00 O ATOM 365 CB LYS X 24 59.399 -6.231 -2.711 1.00 0.00 C ATOM 366 CG LYS X 24 57.898 -6.396 -2.898 1.00 0.00 C ATOM 367 CD LYS X 24 57.128 -6.186 -1.600 1.00 0.00 C ATOM 368 CE LYS X 24 57.398 -4.814 -0.970 1.00 0.00 C ATOM 369 NZ LYS X 24 56.642 -4.614 0.288 1.00 0.00 N ATOM 0 H LYS X 24 61.704 -5.683 -2.742 1.00 0.00 H new ATOM 0 HA LYS X 24 60.199 -7.457 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.739 -6.950 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.593 -5.237 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.547 -5.685 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.690 -7.394 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.060 -6.289 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.399 -6.967 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS X 24 58.465 -4.712 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS X 24 57.131 -4.032 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.735 -3.625 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.638 -4.834 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 57.021 -5.243 1.025 1.00 0.00 H new ATOM 383 N GLU X 25 59.846 -4.311 -5.110 1.00 0.00 N ATOM 384 CA GLU X 25 59.294 -3.490 -6.145 1.00 0.00 C ATOM 385 C GLU X 25 60.211 -3.435 -7.379 1.00 0.00 C ATOM 386 O GLU X 25 59.738 -3.345 -8.497 1.00 0.00 O ATOM 387 CB GLU X 25 58.872 -2.085 -5.598 1.00 0.00 C ATOM 388 CG GLU X 25 59.952 -1.221 -5.004 1.00 0.00 C ATOM 389 CD GLU X 25 60.770 -0.629 -6.088 1.00 0.00 C ATOM 390 OE1 GLU X 25 60.190 -0.443 -7.186 1.00 0.00 O ATOM 391 OE2 GLU X 25 61.966 -0.393 -5.902 1.00 0.00 O ATOM 0 H GLU X 25 60.378 -3.813 -4.396 1.00 0.00 H new ATOM 0 HA GLU X 25 58.372 -3.956 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.408 -1.531 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.105 -2.236 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.507 -0.431 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU X 25 60.583 -1.814 -4.342 1.00 0.00 H new ATOM 398 N ASN X 26 61.510 -3.554 -7.156 1.00 0.00 N ATOM 399 CA ASN X 26 62.528 -3.467 -8.213 1.00 0.00 C ATOM 400 C ASN X 26 62.375 -4.576 -9.229 1.00 0.00 C ATOM 401 O ASN X 26 62.482 -4.343 -10.436 1.00 0.00 O ATOM 402 CB ASN X 26 63.944 -3.495 -7.609 1.00 0.00 C ATOM 403 CG ASN X 26 65.046 -3.233 -8.613 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.584 -4.150 -9.230 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.401 -1.985 -8.769 1.00 0.00 N ATOM 0 H ASN X 26 61.901 -3.716 -6.228 1.00 0.00 H new ATOM 0 HA ASN X 26 62.380 -2.517 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.004 -2.750 -6.816 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.112 -4.468 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.148 -1.745 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.931 -1.251 -8.239 1.00 0.00 H new ATOM 412 N VAL X 27 62.081 -5.775 -8.756 1.00 0.00 N ATOM 413 CA VAL X 27 61.908 -6.914 -9.655 1.00 0.00 C ATOM 414 C VAL X 27 60.511 -6.915 -10.292 1.00 0.00 C ATOM 415 O VAL X 27 60.210 -7.724 -11.174 1.00 0.00 O ATOM 416 CB VAL X 27 62.187 -8.276 -8.960 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.628 -8.343 -8.468 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.216 -8.527 -7.810 1.00 0.00 C ATOM 0 H VAL X 27 61.957 -5.989 -7.766 1.00 0.00 H new ATOM 0 HA VAL X 27 62.652 -6.795 -10.442 1.00 0.00 H new ATOM 0 HB VAL X 27 62.035 -9.061 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.803 -9.304 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.307 -8.233 -9.314 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.806 -7.540 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.441 -9.488 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.318 -7.735 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.195 -8.538 -8.192 1.00 0.00 H new ATOM 428 N ALA X 28 59.670 -6.013 -9.835 1.00 0.00 N ATOM 429 CA ALA X 28 58.328 -5.862 -10.368 1.00 0.00 C ATOM 430 C ALA X 28 58.280 -4.651 -11.315 1.00 0.00 C ATOM 431 O ALA X 28 57.457 -4.592 -12.237 1.00 0.00 O ATOM 432 CB ALA X 28 57.328 -5.691 -9.214 1.00 0.00 C ATOM 0 H ALA X 28 59.895 -5.362 -9.083 1.00 0.00 H new ATOM 0 HA ALA X 28 58.056 -6.754 -10.932 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.322 -5.578 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.363 -6.569 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.588 -4.805 -8.635 1.00 0.00 H new ATOM 438 N ALA X 29 59.198 -3.710 -11.068 1.00 0.00 N ATOM 439 CA ALA X 29 59.333 -2.447 -11.780 1.00 0.00 C ATOM 440 C ALA X 29 58.092 -1.602 -11.590 1.00 0.00 C ATOM 441 O ALA X 29 57.143 -1.675 -12.362 1.00 0.00 O ATOM 442 CB ALA X 29 59.687 -2.631 -13.247 1.00 0.00 C ATOM 0 H ALA X 29 59.896 -3.819 -10.332 1.00 0.00 H new ATOM 0 HA ALA X 29 60.178 -1.913 -11.345 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.774 -1.655 -13.725 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.636 -3.161 -13.329 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.905 -3.208 -13.740 1.00 0.00 H new ATOM 448 N THR X 30 58.073 -0.869 -10.508 1.00 0.00 N ATOM 449 CA THR X 30 56.921 -0.068 -10.149 1.00 0.00 C ATOM 450 C THR X 30 57.046 1.337 -10.702 1.00 0.00 C ATOM 451 O THR X 30 56.054 2.049 -10.893 1.00 0.00 O ATOM 452 CB THR X 30 56.835 0.010 -8.647 1.00 0.00 C ATOM 453 OG1 THR X 30 58.026 0.660 -8.161 1.00 0.00 O ATOM 454 CG2 THR X 30 56.736 -1.376 -8.075 1.00 0.00 C ATOM 0 H THR X 30 58.850 -0.807 -9.850 1.00 0.00 H new ATOM 0 HA THR X 30 56.028 -0.532 -10.567 1.00 0.00 H new ATOM 0 HB THR X 30 55.953 0.575 -8.346 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.654 -0.014 -7.827 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.674 -1.318 -6.988 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.844 -1.867 -8.464 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.618 -1.950 -8.358 1.00 0.00 H new ATOM 462 N ASP X 31 58.283 1.725 -10.931 1.00 0.00 N ATOM 463 CA ASP X 31 58.693 2.992 -11.480 1.00 0.00 C ATOM 464 C ASP X 31 58.493 4.174 -10.546 1.00 0.00 C ATOM 465 O ASP X 31 59.433 4.939 -10.327 1.00 0.00 O ATOM 466 CB ASP X 31 58.136 3.261 -12.861 1.00 0.00 C ATOM 467 CG ASP X 31 58.443 2.173 -13.867 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.597 2.080 -14.338 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.520 1.391 -14.216 1.00 0.00 O ATOM 0 H ASP X 31 59.078 1.121 -10.723 1.00 0.00 H new ATOM 0 HA ASP X 31 59.772 2.888 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.055 3.382 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.539 4.205 -13.227 1.00 0.00 H new ATOM 474 N ASP X 32 57.312 4.328 -9.988 1.00 0.00 N ATOM 475 CA ASP X 32 57.045 5.454 -9.100 1.00 0.00 C ATOM 476 C ASP X 32 57.792 5.285 -7.808 1.00 0.00 C ATOM 477 O ASP X 32 58.639 6.117 -7.467 1.00 0.00 O ATOM 478 CB ASP X 32 55.559 5.611 -8.803 1.00 0.00 C ATOM 479 CG ASP X 32 55.251 6.853 -7.980 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.374 6.819 -6.736 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.846 7.888 -8.563 1.00 0.00 O ATOM 0 H ASP X 32 56.523 3.697 -10.128 1.00 0.00 H new ATOM 0 HA ASP X 32 57.385 6.353 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.008 5.657 -9.742 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.205 4.729 -8.269 1.00 0.00 H new ATOM 486 N VAL X 33 57.555 4.164 -7.128 1.00 0.00 N ATOM 487 CA VAL X 33 58.166 3.956 -5.810 1.00 0.00 C ATOM 488 C VAL X 33 59.584 3.482 -5.989 1.00 0.00 C ATOM 489 O VAL X 33 60.444 3.761 -5.186 1.00 0.00 O ATOM 490 CB VAL X 33 57.350 3.008 -4.862 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.367 1.560 -5.290 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.773 3.162 -3.406 1.00 0.00 C ATOM 0 H VAL X 33 56.961 3.402 -7.454 1.00 0.00 H new ATOM 0 HA VAL X 33 58.159 4.919 -5.299 1.00 0.00 H new ATOM 0 HB VAL X 33 56.313 3.333 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.783 0.966 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.936 1.470 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.395 1.197 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.184 2.489 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.830 2.917 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.607 4.191 -3.086 1.00 0.00 H new ATOM 502 N LEU X 34 59.806 2.872 -7.120 1.00 0.00 N ATOM 503 CA LEU X 34 61.102 2.397 -7.560 1.00 0.00 C ATOM 504 C LEU X 34 62.057 3.565 -7.608 1.00 0.00 C ATOM 505 O LEU X 34 63.125 3.522 -7.025 1.00 0.00 O ATOM 506 CB LEU X 34 60.850 1.741 -8.949 1.00 0.00 C ATOM 507 CG LEU X 34 61.985 1.177 -9.818 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.791 2.260 -10.470 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.861 0.234 -9.032 1.00 0.00 C ATOM 0 H LEU X 34 59.063 2.681 -7.792 1.00 0.00 H new ATOM 0 HA LEU X 34 61.558 1.665 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU X 34 60.149 0.923 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.334 2.485 -9.556 1.00 0.00 H new ATOM 0 HG LEU X 34 61.518 0.606 -10.620 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.581 1.813 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.143 2.861 -11.108 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.236 2.894 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.654 -0.147 -9.675 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.302 0.765 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.261 -0.598 -8.663 1.00 0.00 H new ATOM 521 N ASP X 35 61.627 4.640 -8.217 1.00 0.00 N ATOM 522 CA ASP X 35 62.461 5.834 -8.292 1.00 0.00 C ATOM 523 C ASP X 35 62.637 6.443 -6.944 1.00 0.00 C ATOM 524 O ASP X 35 63.700 6.983 -6.645 1.00 0.00 O ATOM 525 CB ASP X 35 61.911 6.857 -9.267 1.00 0.00 C ATOM 526 CG ASP X 35 62.823 8.066 -9.452 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.788 7.989 -10.253 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.553 9.128 -8.856 1.00 0.00 O ATOM 0 H ASP X 35 60.715 4.724 -8.667 1.00 0.00 H new ATOM 0 HA ASP X 35 63.435 5.518 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.753 6.379 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.936 7.196 -8.916 1.00 0.00 H new ATOM 533 N VAL X 36 61.631 6.324 -6.105 1.00 0.00 N ATOM 534 CA VAL X 36 61.730 6.905 -4.789 1.00 0.00 C ATOM 535 C VAL X 36 62.764 6.197 -4.014 1.00 0.00 C ATOM 536 O VAL X 36 63.687 6.801 -3.534 1.00 0.00 O ATOM 537 CB VAL X 36 60.462 6.710 -3.961 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.581 7.430 -2.684 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.283 7.158 -4.653 1.00 0.00 C ATOM 0 H VAL X 36 60.755 5.841 -6.306 1.00 0.00 H new ATOM 0 HA VAL X 36 61.936 7.963 -4.952 1.00 0.00 H new ATOM 0 HB VAL X 36 60.356 5.640 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.673 7.286 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.436 7.045 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.723 8.493 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.408 6.998 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.376 8.220 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.170 6.596 -5.580 1.00 0.00 H new ATOM 549 N LEU X 37 62.654 4.906 -4.002 1.00 0.00 N ATOM 550 CA LEU X 37 63.469 4.105 -3.167 1.00 0.00 C ATOM 551 C LEU X 37 64.869 4.138 -3.609 1.00 0.00 C ATOM 552 O LEU X 37 65.766 4.303 -2.808 1.00 0.00 O ATOM 553 CB LEU X 37 62.986 2.694 -3.122 1.00 0.00 C ATOM 554 CG LEU X 37 61.504 2.477 -2.770 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.201 1.005 -2.617 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.106 3.235 -1.510 1.00 0.00 C ATOM 0 H LEU X 37 61.992 4.383 -4.576 1.00 0.00 H new ATOM 0 HA LEU X 37 63.406 4.522 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.174 2.240 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.590 2.151 -2.395 1.00 0.00 H new ATOM 0 HG LEU X 37 60.913 2.873 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.148 0.874 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.420 0.489 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.817 0.588 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.052 3.056 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.711 2.890 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.269 4.302 -1.660 1.00 0.00 H new ATOM 568 N LEU X 38 65.045 4.031 -4.887 1.00 0.00 N ATOM 569 CA LEU X 38 66.337 4.031 -5.473 1.00 0.00 C ATOM 570 C LEU X 38 67.065 5.325 -5.217 1.00 0.00 C ATOM 571 O LEU X 38 68.214 5.310 -4.775 1.00 0.00 O ATOM 572 CB LEU X 38 66.240 3.668 -6.940 1.00 0.00 C ATOM 573 CG LEU X 38 65.799 2.227 -7.234 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.877 1.944 -8.701 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.612 1.213 -6.446 1.00 0.00 C ATOM 0 H LEU X 38 64.282 3.940 -5.558 1.00 0.00 H new ATOM 0 HA LEU X 38 66.946 3.264 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.538 4.350 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.213 3.834 -7.403 1.00 0.00 H new ATOM 0 HG LEU X 38 64.762 2.129 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.561 0.918 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.224 2.631 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.903 2.077 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.267 0.207 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.665 1.308 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.487 1.397 -5.379 1.00 0.00 H new ATOM 587 N GLU X 39 66.385 6.431 -5.403 1.00 0.00 N ATOM 588 CA GLU X 39 66.977 7.723 -5.142 1.00 0.00 C ATOM 589 C GLU X 39 67.178 7.957 -3.670 1.00 0.00 C ATOM 590 O GLU X 39 68.220 8.460 -3.246 1.00 0.00 O ATOM 591 CB GLU X 39 66.119 8.819 -5.658 1.00 0.00 C ATOM 592 CG GLU X 39 66.127 8.997 -7.143 1.00 0.00 C ATOM 593 CD GLU X 39 67.505 9.238 -7.683 1.00 0.00 C ATOM 594 OE1 GLU X 39 68.072 10.310 -7.433 1.00 0.00 O ATOM 595 OE2 GLU X 39 68.044 8.363 -8.379 1.00 0.00 O ATOM 0 H GLU X 39 65.421 6.463 -5.734 1.00 0.00 H new ATOM 0 HA GLU X 39 67.941 7.723 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.094 8.636 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.436 9.754 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.705 8.110 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.484 9.836 -7.409 1.00 0.00 H new ATOM 602 N HIS X 40 66.177 7.597 -2.899 1.00 0.00 N ATOM 603 CA HIS X 40 66.164 7.809 -1.473 1.00 0.00 C ATOM 604 C HIS X 40 67.335 7.091 -0.851 1.00 0.00 C ATOM 605 O HIS X 40 68.054 7.661 -0.042 1.00 0.00 O ATOM 606 CB HIS X 40 64.821 7.325 -0.885 1.00 0.00 C ATOM 607 CG HIS X 40 64.578 7.670 0.549 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.636 8.586 0.958 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.158 7.200 1.677 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.675 8.649 2.284 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.587 7.824 2.769 1.00 0.00 N ATOM 0 H HIS X 40 65.336 7.141 -3.253 1.00 0.00 H new ATOM 0 HA HIS X 40 66.260 8.872 -1.251 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.012 7.745 -1.483 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.768 6.242 -0.993 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.017 9.122 0.350 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.941 6.457 1.717 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.046 9.289 2.885 1.00 0.00 H new ATOM 619 N PHE X 41 67.523 5.874 -1.282 1.00 0.00 N ATOM 620 CA PHE X 41 68.620 5.036 -0.887 1.00 0.00 C ATOM 621 C PHE X 41 69.956 5.682 -1.252 1.00 0.00 C ATOM 622 O PHE X 41 70.803 5.917 -0.393 1.00 0.00 O ATOM 623 CB PHE X 41 68.442 3.674 -1.588 1.00 0.00 C ATOM 624 CG PHE X 41 69.640 2.777 -1.620 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.906 1.916 -0.586 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.498 2.799 -2.700 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.011 1.087 -0.625 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.595 1.981 -2.735 1.00 0.00 C ATOM 629 CZ PHE X 41 71.854 1.127 -1.704 1.00 0.00 C ATOM 0 H PHE X 41 66.892 5.422 -1.943 1.00 0.00 H new ATOM 0 HA PHE X 41 68.626 4.899 0.194 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.629 3.140 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.126 3.858 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.245 1.886 0.268 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.302 3.468 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.209 0.410 0.193 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.260 2.012 -3.585 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.721 0.484 -1.738 1.00 0.00 H new ATOM 639 N VAL X 42 70.124 6.008 -2.505 1.00 0.00 N ATOM 640 CA VAL X 42 71.380 6.529 -2.974 1.00 0.00 C ATOM 641 C VAL X 42 71.736 7.894 -2.424 1.00 0.00 C ATOM 642 O VAL X 42 72.885 8.173 -2.212 1.00 0.00 O ATOM 643 CB VAL X 42 71.570 6.397 -4.501 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.604 7.179 -5.311 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.979 6.644 -4.934 1.00 0.00 C ATOM 0 H VAL X 42 69.404 5.922 -3.222 1.00 0.00 H new ATOM 0 HA VAL X 42 72.130 5.868 -2.538 1.00 0.00 H new ATOM 0 HB VAL X 42 71.343 5.351 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.811 7.027 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.590 6.847 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.700 8.238 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.051 6.537 -6.016 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.276 7.653 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.639 5.922 -4.454 1.00 0.00 H new ATOM 655 N LYS X 43 70.763 8.707 -2.159 1.00 0.00 N ATOM 656 CA LYS X 43 71.045 10.050 -1.615 1.00 0.00 C ATOM 657 C LYS X 43 71.566 9.984 -0.171 1.00 0.00 C ATOM 658 O LYS X 43 72.328 10.852 0.256 1.00 0.00 O ATOM 659 CB LYS X 43 69.810 10.972 -1.655 1.00 0.00 C ATOM 660 CG LYS X 43 68.837 10.795 -0.466 1.00 0.00 C ATOM 661 CD LYS X 43 67.731 11.825 -0.500 1.00 0.00 C ATOM 662 CE LYS X 43 66.928 11.840 0.796 1.00 0.00 C ATOM 663 NZ LYS X 43 66.140 10.607 1.000 1.00 0.00 N ATOM 0 H LYS X 43 69.775 8.495 -2.298 1.00 0.00 H new ATOM 0 HA LYS X 43 71.817 10.469 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS X 43 70.147 12.008 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.267 10.790 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.405 9.794 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.387 10.880 0.472 1.00 0.00 H new ATOM 0 HD2 LYS X 43 68.159 12.812 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS X 43 67.065 11.615 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.608 11.973 1.637 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.256 12.698 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.616 10.674 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.469 10.490 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.780 9.788 1.034 1.00 0.00 H new ATOM 677 N ILE X 44 71.139 8.983 0.578 1.00 0.00 N ATOM 678 CA ILE X 44 71.529 8.898 1.962 1.00 0.00 C ATOM 679 C ILE X 44 72.870 8.209 2.122 1.00 0.00 C ATOM 680 O ILE X 44 73.668 8.595 2.972 1.00 0.00 O ATOM 681 CB ILE X 44 70.419 8.273 2.853 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.943 6.943 2.275 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.250 9.244 2.965 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.846 6.277 3.049 1.00 0.00 C ATOM 0 H ILE X 44 70.532 8.231 0.252 1.00 0.00 H new ATOM 0 HA ILE X 44 71.657 9.918 2.323 1.00 0.00 H new ATOM 0 HB ILE X 44 70.831 8.084 3.844 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.599 7.109 1.254 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.793 6.263 2.218 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.472 8.806 3.590 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.593 10.176 3.413 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.848 9.445 1.972 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.575 5.340 2.563 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.188 6.073 4.064 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.976 6.933 3.085 1.00 0.00 H new ATOM 696 N THR X 45 73.132 7.216 1.290 1.00 0.00 N ATOM 697 CA THR X 45 74.417 6.559 1.310 1.00 0.00 C ATOM 698 C THR X 45 75.440 7.313 0.469 1.00 0.00 C ATOM 699 O THR X 45 76.649 7.283 0.777 1.00 0.00 O ATOM 700 CB THR X 45 74.354 5.080 0.856 1.00 0.00 C ATOM 701 OG1 THR X 45 75.680 4.542 0.798 1.00 0.00 O ATOM 702 CG2 THR X 45 73.696 4.931 -0.508 1.00 0.00 C ATOM 0 H THR X 45 72.475 6.853 0.599 1.00 0.00 H new ATOM 0 HA THR X 45 74.732 6.565 2.353 1.00 0.00 H new ATOM 0 HB THR X 45 73.751 4.536 1.583 1.00 0.00 H new ATOM 0 HG1 THR X 45 76.195 4.859 1.569 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.673 3.878 -0.788 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.678 5.318 -0.465 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.266 5.491 -1.250 1.00 0.00 H new ATOM 710 N GLU X 46 74.949 7.974 -0.586 1.00 0.00 N ATOM 711 CA GLU X 46 75.747 8.737 -1.544 1.00 0.00 C ATOM 712 C GLU X 46 76.717 7.820 -2.273 1.00 0.00 C ATOM 713 O GLU X 46 77.828 8.204 -2.632 1.00 0.00 O ATOM 714 CB GLU X 46 76.451 9.863 -0.839 1.00 0.00 C ATOM 715 CG GLU X 46 75.514 10.756 -0.087 1.00 0.00 C ATOM 716 CD GLU X 46 76.232 11.877 0.580 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.997 11.617 1.546 1.00 0.00 O ATOM 718 OE2 GLU X 46 76.082 13.024 0.145 1.00 0.00 O ATOM 0 H GLU X 46 73.952 7.991 -0.800 1.00 0.00 H new ATOM 0 HA GLU X 46 75.093 9.176 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU X 46 77.185 9.449 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.001 10.455 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.768 11.159 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.978 10.172 0.661 1.00 0.00 H new ATOM 725 N HIS X 47 76.247 6.620 -2.544 1.00 0.00 N ATOM 726 CA HIS X 47 77.043 5.617 -3.195 1.00 0.00 C ATOM 727 C HIS X 47 77.008 5.882 -4.711 1.00 0.00 C ATOM 728 O HIS X 47 75.945 6.137 -5.260 1.00 0.00 O ATOM 729 CB HIS X 47 76.470 4.216 -2.880 1.00 0.00 C ATOM 730 CG HIS X 47 77.429 3.100 -3.144 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.428 2.305 -4.264 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.466 2.687 -2.407 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.466 1.466 -4.167 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.121 1.656 -3.059 1.00 0.00 N ATOM 0 H HIS X 47 75.300 6.318 -2.316 1.00 0.00 H new ATOM 0 HA HIS X 47 78.072 5.656 -2.839 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.168 4.184 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.571 4.059 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.749 3.096 -1.448 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.726 0.728 -4.911 1.00 0.00 H new ATOM 0 HE2 HIS X 47 79.946 1.150 -2.737 1.00 0.00 H new ATOM 742 N PRO X 48 78.143 5.801 -5.422 1.00 0.00 N ATOM 743 CA PRO X 48 78.205 6.102 -6.872 1.00 0.00 C ATOM 744 C PRO X 48 77.524 5.049 -7.692 1.00 0.00 C ATOM 745 O PRO X 48 77.205 5.246 -8.860 1.00 0.00 O ATOM 746 CB PRO X 48 79.684 6.013 -7.190 1.00 0.00 C ATOM 747 CG PRO X 48 80.383 6.066 -5.898 1.00 0.00 C ATOM 748 CD PRO X 48 79.463 5.414 -4.917 1.00 0.00 C ATOM 0 HA PRO X 48 77.730 7.058 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.914 5.088 -7.720 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.994 6.835 -7.835 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.338 5.543 -5.947 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.598 7.095 -5.610 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.590 4.332 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.631 5.773 -3.901 1.00 0.00 H new ATOM 756 N ASP X 49 77.271 3.956 -7.058 1.00 0.00 N ATOM 757 CA ASP X 49 76.775 2.815 -7.701 1.00 0.00 C ATOM 758 C ASP X 49 75.562 2.403 -6.915 1.00 0.00 C ATOM 759 O ASP X 49 75.289 1.229 -6.767 1.00 0.00 O ATOM 760 CB ASP X 49 77.791 1.648 -7.658 1.00 0.00 C ATOM 761 CG ASP X 49 79.142 1.941 -8.255 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.285 1.944 -9.504 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.103 2.127 -7.491 1.00 0.00 O ATOM 0 H ASP X 49 77.411 3.840 -6.054 1.00 0.00 H new ATOM 0 HA ASP X 49 76.564 3.036 -8.747 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.930 1.348 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.360 0.795 -8.181 1.00 0.00 H new ATOM 768 N GLY X 50 74.881 3.404 -6.351 1.00 0.00 N ATOM 769 CA GLY X 50 73.715 3.190 -5.492 1.00 0.00 C ATOM 770 C GLY X 50 72.756 2.241 -6.043 1.00 0.00 C ATOM 771 O GLY X 50 72.493 1.206 -5.452 1.00 0.00 O ATOM 0 H GLY X 50 75.123 4.387 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.051 2.832 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.216 4.144 -5.326 1.00 0.00 H new ATOM 775 N THR X 51 72.337 2.504 -7.192 1.00 0.00 N ATOM 776 CA THR X 51 71.319 1.701 -7.776 1.00 0.00 C ATOM 777 C THR X 51 71.879 0.391 -8.270 1.00 0.00 C ATOM 778 O THR X 51 71.233 -0.655 -8.150 1.00 0.00 O ATOM 779 CB THR X 51 70.609 2.436 -8.875 1.00 0.00 C ATOM 780 OG1 THR X 51 71.190 3.759 -9.009 1.00 0.00 O ATOM 781 CG2 THR X 51 69.164 2.546 -8.509 1.00 0.00 C ATOM 0 H THR X 51 72.672 3.273 -7.773 1.00 0.00 H new ATOM 0 HA THR X 51 70.586 1.479 -7.001 1.00 0.00 H new ATOM 0 HB THR X 51 70.709 1.906 -9.822 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.733 4.246 -9.726 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.629 3.078 -9.296 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.741 1.548 -8.393 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.067 3.092 -7.571 1.00 0.00 H new ATOM 789 N ALA X 52 73.116 0.442 -8.740 1.00 0.00 N ATOM 790 CA ALA X 52 73.817 -0.724 -9.210 1.00 0.00 C ATOM 791 C ALA X 52 73.935 -1.736 -8.109 1.00 0.00 C ATOM 792 O ALA X 52 73.893 -2.916 -8.378 1.00 0.00 O ATOM 793 CB ALA X 52 75.173 -0.351 -9.767 1.00 0.00 C ATOM 0 H ALA X 52 73.658 1.304 -8.803 1.00 0.00 H new ATOM 0 HA ALA X 52 73.244 -1.172 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.683 -1.249 -10.116 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.046 0.341 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.768 0.125 -8.988 1.00 0.00 H new ATOM 799 N LEU X 53 74.033 -1.266 -6.864 1.00 0.00 N ATOM 800 CA LEU X 53 74.060 -2.149 -5.717 1.00 0.00 C ATOM 801 C LEU X 53 72.796 -2.945 -5.588 1.00 0.00 C ATOM 802 O LEU X 53 72.864 -4.144 -5.419 1.00 0.00 O ATOM 803 CB LEU X 53 74.333 -1.437 -4.403 1.00 0.00 C ATOM 804 CG LEU X 53 75.723 -0.872 -4.195 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.843 -0.358 -2.790 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.792 -1.917 -4.472 1.00 0.00 C ATOM 0 H LEU X 53 74.095 -0.274 -6.633 1.00 0.00 H new ATOM 0 HA LEU X 53 74.896 -2.821 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.619 -0.619 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.128 -2.136 -3.592 1.00 0.00 H new ATOM 0 HG LEU X 53 75.876 -0.053 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.842 0.050 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.102 0.424 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.672 -1.174 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.778 -1.480 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.658 -2.763 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.708 -2.259 -5.504 1.00 0.00 H new ATOM 818 N ILE X 54 71.631 -2.294 -5.675 1.00 0.00 N ATOM 819 CA ILE X 54 70.369 -3.072 -5.529 1.00 0.00 C ATOM 820 C ILE X 54 70.237 -4.004 -6.703 1.00 0.00 C ATOM 821 O ILE X 54 69.855 -5.166 -6.570 1.00 0.00 O ATOM 822 CB ILE X 54 69.028 -2.255 -5.407 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.055 -1.231 -4.285 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.844 -3.197 -5.196 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.715 0.050 -4.660 1.00 0.00 C ATOM 0 H ILE X 54 71.521 -1.293 -5.835 1.00 0.00 H new ATOM 0 HA ILE X 54 70.479 -3.577 -4.569 1.00 0.00 H new ATOM 0 HB ILE X 54 68.917 -1.713 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.032 -1.024 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.573 -1.659 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.926 -2.615 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.767 -3.879 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.993 -3.770 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.696 0.731 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE X 54 70.748 -0.144 -4.947 1.00 0.00 H new ATOM 0 HD13 ILE X 54 69.184 0.501 -5.498 1.00 0.00 H new ATOM 837 N TYR X 55 70.590 -3.486 -7.844 1.00 0.00 N ATOM 838 CA TYR X 55 70.533 -4.218 -9.060 1.00 0.00 C ATOM 839 C TYR X 55 71.439 -5.448 -9.053 1.00 0.00 C ATOM 840 O TYR X 55 71.029 -6.525 -9.507 1.00 0.00 O ATOM 841 CB TYR X 55 70.792 -3.310 -10.238 1.00 0.00 C ATOM 842 CG TYR X 55 69.551 -2.592 -10.705 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.141 -1.409 -10.119 1.00 0.00 C ATOM 844 CD2 TYR X 55 68.770 -3.122 -11.718 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.000 -0.767 -10.527 1.00 0.00 C ATOM 846 CE2 TYR X 55 67.620 -2.489 -12.130 1.00 0.00 C ATOM 847 CZ TYR X 55 67.240 -1.314 -11.533 1.00 0.00 C ATOM 848 OH TYR X 55 66.083 -0.696 -11.929 1.00 0.00 O ATOM 0 H TYR X 55 70.929 -2.530 -7.949 1.00 0.00 H new ATOM 0 HA TYR X 55 69.521 -4.610 -9.161 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.550 -2.576 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.198 -3.897 -11.061 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.732 -0.981 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.068 -4.046 -12.192 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.701 0.161 -10.062 1.00 0.00 H new ATOM 0 HE2 TYR X 55 67.019 -2.915 -12.920 1.00 0.00 H new ATOM 0 HH TYR X 55 65.667 -1.212 -12.651 1.00 0.00 H new ATOM 858 N GLU X 56 72.660 -5.307 -8.548 1.00 0.00 N ATOM 859 CA GLU X 56 73.513 -6.458 -8.405 1.00 0.00 C ATOM 860 C GLU X 56 73.037 -7.356 -7.284 1.00 0.00 C ATOM 861 O GLU X 56 73.095 -8.551 -7.414 1.00 0.00 O ATOM 862 CB GLU X 56 75.027 -6.153 -8.296 1.00 0.00 C ATOM 863 CG GLU X 56 75.449 -5.182 -7.216 1.00 0.00 C ATOM 864 CD GLU X 56 76.941 -5.185 -6.996 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.439 -5.994 -6.178 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.660 -4.401 -7.637 1.00 0.00 O ATOM 0 H GLU X 56 73.065 -4.423 -8.240 1.00 0.00 H new ATOM 0 HA GLU X 56 73.419 -6.993 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.552 -7.094 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.365 -5.762 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.126 -4.177 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.946 -5.438 -6.284 1.00 0.00 H new ATOM 873 N ALA X 57 72.535 -6.767 -6.195 1.00 0.00 N ATOM 874 CA ALA X 57 72.017 -7.530 -5.049 1.00 0.00 C ATOM 875 C ALA X 57 70.876 -8.442 -5.473 1.00 0.00 C ATOM 876 O ALA X 57 70.786 -9.577 -5.028 1.00 0.00 O ATOM 877 CB ALA X 57 71.565 -6.604 -3.928 1.00 0.00 C ATOM 0 H ALA X 57 72.475 -5.755 -6.080 1.00 0.00 H new ATOM 0 HA ALA X 57 72.832 -8.148 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.187 -7.198 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.409 -6.002 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.775 -5.948 -4.294 1.00 0.00 H new ATOM 1025 N GLY X 71 71.300 -10.559 -0.868 1.00 0.00 N ATOM 1026 CA GLY X 71 70.347 -9.550 -1.215 1.00 0.00 C ATOM 1027 C GLY X 71 70.275 -8.397 -0.241 1.00 0.00 C ATOM 1028 O GLY X 71 71.273 -7.705 -0.024 1.00 0.00 O ATOM 0 HA2 GLY X 71 70.592 -9.160 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.361 -10.009 -1.289 1.00 0.00 H new ATOM 1032 N PRO X 72 69.126 -8.235 0.446 1.00 0.00 N ATOM 1033 CA PRO X 72 68.801 -7.030 1.214 1.00 0.00 C ATOM 1034 C PRO X 72 69.770 -6.711 2.328 1.00 0.00 C ATOM 1035 O PRO X 72 70.318 -5.618 2.372 1.00 0.00 O ATOM 1036 CB PRO X 72 67.414 -7.295 1.757 1.00 0.00 C ATOM 1037 CG PRO X 72 67.282 -8.768 1.752 1.00 0.00 C ATOM 1038 CD PRO X 72 68.068 -9.249 0.571 1.00 0.00 C ATOM 0 HA PRO X 72 68.861 -6.150 0.573 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.299 -6.891 2.763 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.650 -6.827 1.136 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.666 -9.197 2.677 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.236 -9.066 1.672 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.480 -10.244 0.738 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.454 -9.305 -0.328 1.00 0.00 H new ATOM 1046 N GLU X 73 70.025 -7.653 3.208 1.00 0.00 N ATOM 1047 CA GLU X 73 70.944 -7.404 4.294 1.00 0.00 C ATOM 1048 C GLU X 73 72.396 -7.329 3.832 1.00 0.00 C ATOM 1049 O GLU X 73 73.307 -7.085 4.633 1.00 0.00 O ATOM 1050 CB GLU X 73 70.766 -8.373 5.440 1.00 0.00 C ATOM 1051 CG GLU X 73 69.386 -8.331 6.052 1.00 0.00 C ATOM 1052 CD GLU X 73 69.283 -9.185 7.277 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.725 -8.761 8.369 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.764 -10.297 7.188 1.00 0.00 O ATOM 0 H GLU X 73 69.615 -8.587 3.194 1.00 0.00 H new ATOM 0 HA GLU X 73 70.689 -6.416 4.677 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.968 -9.384 5.086 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.504 -8.152 6.211 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.135 -7.301 6.307 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.654 -8.665 5.316 1.00 0.00 H new ATOM 1061 N GLY X 74 72.614 -7.491 2.554 1.00 0.00 N ATOM 1062 CA GLY X 74 73.920 -7.336 2.054 1.00 0.00 C ATOM 1063 C GLY X 74 74.110 -6.058 1.303 1.00 0.00 C ATOM 1064 O GLY X 74 75.236 -5.625 1.140 1.00 0.00 O ATOM 0 H GLY X 74 71.903 -7.727 1.862 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.627 -7.373 2.883 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.154 -8.175 1.398 1.00 0.00 H new ATOM 1068 N ILE X 75 73.019 -5.426 0.865 1.00 0.00 N ATOM 1069 CA ILE X 75 73.132 -4.128 0.179 1.00 0.00 C ATOM 1070 C ILE X 75 73.617 -3.117 1.203 1.00 0.00 C ATOM 1071 O ILE X 75 74.517 -2.335 0.961 1.00 0.00 O ATOM 1072 CB ILE X 75 71.784 -3.594 -0.392 1.00 0.00 C ATOM 1073 CG1 ILE X 75 70.763 -4.726 -0.602 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.050 -2.858 -1.696 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.469 -4.315 -1.289 1.00 0.00 C ATOM 0 H ILE X 75 72.067 -5.777 0.967 1.00 0.00 H new ATOM 0 HA ILE X 75 73.810 -4.266 -0.663 1.00 0.00 H new ATOM 0 HB ILE X 75 71.349 -2.907 0.334 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.234 -5.513 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.519 -5.157 0.369 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.110 -2.482 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.725 -2.023 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.506 -3.541 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.818 -5.184 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE X 75 68.967 -3.553 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.693 -3.914 -2.277 1.00 0.00 H new ATOM 1087 N VAL X 76 73.011 -3.202 2.364 1.00 0.00 N ATOM 1088 CA VAL X 76 73.341 -2.388 3.530 1.00 0.00 C ATOM 1089 C VAL X 76 74.749 -2.598 3.966 1.00 0.00 C ATOM 1090 O VAL X 76 75.437 -1.674 4.362 1.00 0.00 O ATOM 1091 CB VAL X 76 72.372 -2.718 4.675 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.044 -4.165 4.777 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.690 -2.077 6.013 1.00 0.00 C ATOM 0 H VAL X 76 72.249 -3.858 2.537 1.00 0.00 H new ATOM 0 HA VAL X 76 73.239 -1.338 3.255 1.00 0.00 H new ATOM 0 HB VAL X 76 71.452 -2.220 4.371 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.355 -4.324 5.607 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.578 -4.499 3.850 1.00 0.00 H new ATOM 0 HG13 VAL X 76 72.958 -4.734 4.949 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.943 -2.378 6.747 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.676 -2.400 6.346 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.680 -0.992 5.908 1.00 0.00 H new ATOM 1103 N LYS X 77 75.144 -3.811 3.903 1.00 0.00 N ATOM 1104 CA LYS X 77 76.502 -4.202 4.212 1.00 0.00 C ATOM 1105 C LYS X 77 77.480 -3.461 3.291 1.00 0.00 C ATOM 1106 O LYS X 77 78.442 -2.872 3.756 1.00 0.00 O ATOM 1107 CB LYS X 77 76.668 -5.688 4.027 1.00 0.00 C ATOM 1108 CG LYS X 77 78.038 -6.222 4.391 1.00 0.00 C ATOM 1109 CD LYS X 77 78.193 -7.640 3.909 1.00 0.00 C ATOM 1110 CE LYS X 77 78.373 -7.698 2.392 1.00 0.00 C ATOM 1111 NZ LYS X 77 79.654 -7.091 1.947 1.00 0.00 N ATOM 0 H LYS X 77 74.540 -4.587 3.633 1.00 0.00 H new ATOM 0 HA LYS X 77 76.714 -3.944 5.250 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.920 -6.201 4.632 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.461 -5.936 2.986 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.810 -5.594 3.947 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.176 -6.181 5.471 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.053 -8.099 4.397 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.316 -8.221 4.195 1.00 0.00 H new ATOM 0 HE2 LYS X 77 78.334 -8.737 2.064 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.543 -7.180 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 79.471 -6.427 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 80.091 -6.581 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 80.298 -7.840 1.621 1.00 0.00 H new ATOM 1125 N GLU X 78 77.179 -3.464 1.993 1.00 0.00 N ATOM 1126 CA GLU X 78 78.002 -2.776 0.993 1.00 0.00 C ATOM 1127 C GLU X 78 78.096 -1.300 1.352 1.00 0.00 C ATOM 1128 O GLU X 78 79.175 -0.694 1.368 1.00 0.00 O ATOM 1129 CB GLU X 78 77.316 -2.876 -0.364 1.00 0.00 C ATOM 1130 CG GLU X 78 77.073 -4.287 -0.893 1.00 0.00 C ATOM 1131 CD GLU X 78 78.319 -5.085 -1.172 1.00 0.00 C ATOM 1132 OE1 GLU X 78 78.937 -5.622 -0.232 1.00 0.00 O ATOM 1133 OE2 GLU X 78 78.661 -5.253 -2.354 1.00 0.00 O ATOM 0 H GLU X 78 76.364 -3.939 1.605 1.00 0.00 H new ATOM 0 HA GLU X 78 78.993 -3.230 0.965 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.356 -2.363 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.919 -2.336 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU X 78 76.466 -4.831 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU X 78 76.490 -4.219 -1.811 1.00 0.00 H new ATOM 1140 N ILE X 79 76.953 -0.772 1.692 1.00 0.00 N ATOM 1141 CA ILE X 79 76.783 0.612 2.106 1.00 0.00 C ATOM 1142 C ILE X 79 77.571 0.943 3.370 1.00 0.00 C ATOM 1143 O ILE X 79 78.276 1.955 3.404 1.00 0.00 O ATOM 1144 CB ILE X 79 75.274 0.943 2.328 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.480 0.779 1.026 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.063 2.326 2.939 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.001 1.600 -0.125 1.00 0.00 C ATOM 0 H ILE X 79 76.081 -1.301 1.692 1.00 0.00 H new ATOM 0 HA ILE X 79 77.176 1.228 1.297 1.00 0.00 H new ATOM 0 HB ILE X 79 74.893 0.223 3.052 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.487 -0.273 0.740 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.441 1.052 1.211 1.00 0.00 H new ATOM 0 HG21 ILE X 79 73.996 2.506 3.072 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.563 2.377 3.906 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.479 3.084 2.275 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.383 1.425 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.967 2.657 0.138 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.030 1.312 -0.341 1.00 0.00 H new ATOM 1159 N LYS X 80 77.498 0.091 4.384 1.00 0.00 N ATOM 1160 CA LYS X 80 78.185 0.380 5.636 1.00 0.00 C ATOM 1161 C LYS X 80 79.687 0.369 5.418 1.00 0.00 C ATOM 1162 O LYS X 80 80.403 1.233 5.927 1.00 0.00 O ATOM 1163 CB LYS X 80 77.775 -0.577 6.796 1.00 0.00 C ATOM 1164 CG LYS X 80 78.334 -1.989 6.733 1.00 0.00 C ATOM 1165 CD LYS X 80 77.915 -2.817 7.945 1.00 0.00 C ATOM 1166 CE LYS X 80 76.405 -3.039 8.036 1.00 0.00 C ATOM 1167 NZ LYS X 80 76.047 -3.785 9.266 1.00 0.00 N ATOM 0 H LYS X 80 76.981 -0.788 4.367 1.00 0.00 H new ATOM 0 HA LYS X 80 77.875 1.376 5.951 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.088 -0.127 7.738 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.687 -0.640 6.819 1.00 0.00 H new ATOM 0 HG2 LYS X 80 77.988 -2.477 5.822 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.422 -1.948 6.679 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.415 -3.785 7.905 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.257 -2.318 8.852 1.00 0.00 H new ATOM 0 HE2 LYS X 80 75.892 -2.077 8.028 1.00 0.00 H new ATOM 0 HE3 LYS X 80 76.062 -3.590 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 75.021 -3.951 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.546 -4.698 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 76.323 -3.230 10.101 1.00 0.00 H new ATOM 1181 N GLU X 81 80.144 -0.557 4.588 1.00 0.00 N ATOM 1182 CA GLU X 81 81.543 -0.695 4.308 1.00 0.00 C ATOM 1183 C GLU X 81 82.051 0.481 3.490 1.00 0.00 C ATOM 1184 O GLU X 81 83.129 0.994 3.754 1.00 0.00 O ATOM 1185 CB GLU X 81 81.837 -2.028 3.623 1.00 0.00 C ATOM 1186 CG GLU X 81 81.474 -3.239 4.478 1.00 0.00 C ATOM 1187 CD GLU X 81 81.706 -4.547 3.773 1.00 0.00 C ATOM 1188 OE1 GLU X 81 80.840 -4.976 2.986 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.764 -5.176 3.990 1.00 0.00 O ATOM 0 H GLU X 81 79.549 -1.225 4.098 1.00 0.00 H new ATOM 0 HA GLU X 81 82.081 -0.692 5.256 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.285 -2.076 2.684 1.00 0.00 H new ATOM 0 HB3 GLU X 81 82.897 -2.074 3.372 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.062 -3.218 5.396 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.426 -3.170 4.769 1.00 0.00 H new ATOM 1196 N TRP X 82 81.255 0.930 2.526 1.00 0.00 N ATOM 1197 CA TRP X 82 81.632 2.057 1.669 1.00 0.00 C ATOM 1198 C TRP X 82 81.620 3.346 2.449 1.00 0.00 C ATOM 1199 O TRP X 82 82.560 4.131 2.379 1.00 0.00 O ATOM 1200 CB TRP X 82 80.655 2.213 0.530 1.00 0.00 C ATOM 1201 CG TRP X 82 81.134 3.139 -0.560 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.896 2.801 -1.643 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.866 4.546 -0.686 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.107 3.901 -2.435 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.493 4.984 -1.869 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.157 5.474 0.086 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.431 6.302 -2.301 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.099 6.781 -0.341 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.730 7.187 -1.526 1.00 0.00 C ATOM 0 H TRP X 82 80.340 0.531 2.315 1.00 0.00 H new ATOM 0 HA TRP X 82 82.632 1.849 1.288 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.454 1.232 0.099 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.710 2.588 0.923 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.277 1.811 -1.846 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.637 3.910 -3.306 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.665 5.170 0.998 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.917 6.617 -3.213 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.558 7.507 0.247 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.662 8.220 -1.834 1.00 0.00 H new ATOM 1220 N ARG X 83 80.553 3.549 3.207 1.00 0.00 N ATOM 1221 CA ARG X 83 80.351 4.777 3.940 1.00 0.00 C ATOM 1222 C ARG X 83 81.509 4.950 4.921 1.00 0.00 C ATOM 1223 O ARG X 83 82.118 6.017 4.997 1.00 0.00 O ATOM 1224 CB ARG X 83 79.070 4.690 4.745 1.00 0.00 C ATOM 1225 CG ARG X 83 78.510 6.011 5.164 1.00 0.00 C ATOM 1226 CD ARG X 83 77.598 6.688 4.140 1.00 0.00 C ATOM 1227 NE ARG X 83 77.055 7.928 4.731 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.804 9.093 4.116 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.907 9.212 2.801 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.403 10.134 4.842 1.00 0.00 N ATOM 0 H ARG X 83 79.807 2.864 3.327 1.00 0.00 H new ATOM 0 HA ARG X 83 80.296 5.611 3.241 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.320 4.163 4.155 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.256 4.089 5.635 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.951 5.873 6.089 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.338 6.683 5.389 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.155 6.916 3.231 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.786 6.018 3.857 1.00 0.00 H new ATOM 0 HE ARG X 83 76.845 7.894 5.729 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.182 8.408 2.236 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.712 10.107 2.353 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.291 10.039 5.851 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.208 11.027 4.389 1.00 0.00 H new ATOM 1244 N ALA X 84 81.838 3.871 5.614 1.00 0.00 N ATOM 1245 CA ALA X 84 82.922 3.865 6.570 1.00 0.00 C ATOM 1246 C ALA X 84 84.272 4.055 5.869 1.00 0.00 C ATOM 1247 O ALA X 84 85.132 4.794 6.358 1.00 0.00 O ATOM 1248 CB ALA X 84 82.906 2.572 7.378 1.00 0.00 C ATOM 0 H ALA X 84 81.357 2.976 5.526 1.00 0.00 H new ATOM 0 HA ALA X 84 82.782 4.702 7.254 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.728 2.580 8.094 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.960 2.489 7.912 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.019 1.721 6.706 1.00 0.00 H new ATOM 1254 N ALA X 85 84.428 3.428 4.709 1.00 0.00 N ATOM 1255 CA ALA X 85 85.668 3.497 3.943 1.00 0.00 C ATOM 1256 C ALA X 85 85.920 4.889 3.395 1.00 0.00 C ATOM 1257 O ALA X 85 87.055 5.376 3.436 1.00 0.00 O ATOM 1258 CB ALA X 85 85.667 2.486 2.816 1.00 0.00 C ATOM 0 H ALA X 85 83.702 2.859 4.274 1.00 0.00 H new ATOM 0 HA ALA X 85 86.479 3.257 4.631 1.00 0.00 H new ATOM 0 HB1 ALA X 85 86.602 2.559 2.261 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.567 1.482 3.228 1.00 0.00 H new ATOM 0 HB3 ALA X 85 84.831 2.689 2.146 1.00 0.00 H new ATOM 1264 N ASN X 86 84.871 5.526 2.883 1.00 0.00 N ATOM 1265 CA ASN X 86 84.980 6.884 2.332 1.00 0.00 C ATOM 1266 C ASN X 86 85.230 7.858 3.467 1.00 0.00 C ATOM 1267 O ASN X 86 85.951 8.844 3.324 1.00 0.00 O ATOM 1268 CB ASN X 86 83.680 7.311 1.605 1.00 0.00 C ATOM 1269 CG ASN X 86 83.854 8.579 0.770 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.665 9.734 1.361 1.00 0.00 O flip ATOM 1271 ND2 ASN X 86 84.161 8.512 -0.406 1.00 0.00 N flip ATOM 0 H ASN X 86 83.933 5.128 2.836 1.00 0.00 H new ATOM 0 HA ASN X 86 85.801 6.891 1.615 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.348 6.499 0.958 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.894 7.473 2.342 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.303 7.602 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.276 9.366 -0.952 1.00 0.00 H new ATOM 1278 N GLY X 87 84.626 7.562 4.600 1.00 0.00 N ATOM 1279 CA GLY X 87 84.747 8.408 5.757 1.00 0.00 C ATOM 1280 C GLY X 87 83.506 9.237 5.940 1.00 0.00 C ATOM 1281 O GLY X 87 83.576 10.435 6.187 1.00 0.00 O ATOM 0 H GLY X 87 84.044 6.736 4.739 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.917 7.798 6.644 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.614 9.060 5.648 1.00 0.00 H new ATOM 1285 N LYS X 88 82.367 8.608 5.787 1.00 0.00 N ATOM 1286 CA LYS X 88 81.120 9.233 5.909 1.00 0.00 C ATOM 1287 C LYS X 88 80.352 8.562 7.036 1.00 0.00 C ATOM 1288 O LYS X 88 80.534 7.364 7.260 1.00 0.00 O ATOM 1289 CB LYS X 88 80.400 9.050 4.595 1.00 0.00 C ATOM 1290 CG LYS X 88 80.783 10.033 3.510 1.00 0.00 C ATOM 1291 CD LYS X 88 80.134 9.688 2.182 1.00 0.00 C ATOM 1292 CE LYS X 88 80.371 10.774 1.136 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.668 12.049 1.463 1.00 0.00 N ATOM 0 H LYS X 88 82.306 7.614 5.567 1.00 0.00 H new ATOM 0 HA LYS X 88 81.216 10.295 6.136 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.590 8.040 4.232 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.327 9.128 4.772 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.486 11.038 3.809 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.867 10.042 3.394 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.532 8.740 1.819 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.062 9.550 2.326 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.441 10.965 1.052 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.033 10.416 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.556 12.615 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.731 11.837 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.226 12.585 2.158 1.00 0.00 H new ATOM 1307 N PRO X 89 79.529 9.309 7.780 1.00 0.00 N ATOM 1308 CA PRO X 89 78.719 8.748 8.876 1.00 0.00 C ATOM 1309 C PRO X 89 77.746 7.678 8.369 1.00 0.00 C ATOM 1310 O PRO X 89 76.969 7.927 7.435 1.00 0.00 O ATOM 1311 CB PRO X 89 77.950 9.963 9.423 1.00 0.00 C ATOM 1312 CG PRO X 89 78.033 10.999 8.353 1.00 0.00 C ATOM 1313 CD PRO X 89 79.334 10.766 7.649 1.00 0.00 C ATOM 0 HA PRO X 89 79.332 8.253 9.629 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.913 9.706 9.641 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.392 10.322 10.352 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.195 10.913 7.661 1.00 0.00 H new ATOM 0 HG3 PRO X 89 77.994 12.002 8.778 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.288 11.074 6.605 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.148 11.325 8.111 1.00 0.00 H new ATOM 1321 N GLY X 90 77.820 6.495 8.950 1.00 0.00 N ATOM 1322 CA GLY X 90 76.988 5.391 8.527 1.00 0.00 C ATOM 1323 C GLY X 90 75.655 5.331 9.224 1.00 0.00 C ATOM 1324 O GLY X 90 74.967 6.342 9.359 1.00 0.00 O ATOM 0 H GLY X 90 78.452 6.276 9.720 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.822 5.465 7.452 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.522 4.457 8.704 1.00 0.00 H new ATOM 1328 N PHE X 91 75.311 4.162 9.690 1.00 0.00 N ATOM 1329 CA PHE X 91 74.015 3.919 10.296 1.00 0.00 C ATOM 1330 C PHE X 91 74.045 4.184 11.774 1.00 0.00 C ATOM 1331 O PHE X 91 75.128 4.338 12.380 1.00 0.00 O ATOM 1332 CB PHE X 91 73.583 2.474 10.069 1.00 0.00 C ATOM 1333 CG PHE X 91 73.504 2.098 8.637 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.465 2.541 7.860 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.482 1.313 8.061 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.397 2.206 6.540 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.416 0.979 6.733 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.372 1.425 5.972 1.00 0.00 C ATOM 0 H PHE X 91 75.918 3.343 9.664 1.00 0.00 H new ATOM 0 HA PHE X 91 73.305 4.599 9.825 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.285 1.810 10.573 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.609 2.318 10.532 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.695 3.160 8.297 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.307 0.959 8.662 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.572 2.557 5.938 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.186 0.366 6.290 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.314 1.163 4.926 1.00 0.00 H new ATOM 1348 N LYS X 92 72.885 4.267 12.354 1.00 0.00 N ATOM 1349 CA LYS X 92 72.767 4.394 13.726 1.00 0.00 C ATOM 1350 C LYS X 92 72.460 3.033 14.295 1.00 0.00 C ATOM 1351 O LYS X 92 72.121 2.097 13.563 1.00 0.00 O ATOM 1352 CB LYS X 92 71.655 5.357 14.087 1.00 0.00 C ATOM 1353 CG LYS X 92 70.240 4.827 13.922 1.00 0.00 C ATOM 1354 CD LYS X 92 69.210 5.747 14.574 1.00 0.00 C ATOM 1355 CE LYS X 92 69.374 5.791 16.094 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.387 6.670 16.733 1.00 0.00 N ATOM 0 H LYS X 92 71.996 4.245 11.855 1.00 0.00 H new ATOM 0 HA LYS X 92 73.697 4.786 14.137 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.789 5.664 15.124 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.761 6.252 13.473 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.013 4.721 12.861 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.170 3.833 14.364 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.312 6.753 14.168 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.206 5.403 14.326 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.276 4.783 16.498 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.378 6.136 16.340 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.536 6.669 17.762 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.496 7.638 16.368 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.428 6.327 16.522 1.00 0.00 H new ATOM 1370 N GLN X 93 72.574 2.925 15.557 1.00 0.00 N ATOM 1371 CA GLN X 93 72.292 1.723 16.246 1.00 0.00 C ATOM 1372 C GLN X 93 70.872 1.773 16.753 1.00 0.00 C ATOM 1373 O GLN X 93 70.362 2.844 17.105 1.00 0.00 O ATOM 1374 CB GLN X 93 73.245 1.602 17.413 1.00 0.00 C ATOM 1375 CG GLN X 93 74.664 1.087 17.097 1.00 0.00 C ATOM 1376 CD GLN X 93 75.387 1.857 16.003 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.061 2.857 16.265 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.278 1.384 14.782 1.00 0.00 N ATOM 0 H GLN X 93 72.874 3.689 16.162 1.00 0.00 H new ATOM 0 HA GLN X 93 72.411 0.866 15.583 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.335 2.582 17.882 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.797 0.936 18.150 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.262 1.127 18.007 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.599 0.039 16.804 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.711 0.555 14.605 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.760 1.846 14.011 1.00 0.00 H new ATOM 1387 N GLY X 94 70.246 0.659 16.742 1.00 0.00 N ATOM 1388 CA GLY X 94 68.926 0.517 17.257 1.00 0.00 C ATOM 1389 C GLY X 94 68.319 -0.723 16.704 1.00 0.00 C ATOM 1390 O GLY X 94 67.080 -0.809 16.607 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.095 -1.623 16.293 1.00 0.00 O ATOM 0 H GLY X 94 70.640 -0.204 16.368 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.950 0.471 18.346 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.322 1.384 16.988 1.00 0.00 H new