USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 688 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= 0.136 X(o=0.14,f=0.18) USER MOD Set 1.2: X 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 10 TYR OH : rot -179:sc= 0.958 USER MOD Set 2.2: X 40 HIS : no HE2:sc= 0.813 K(o=1.8,f=-3.6) USER MOD Single : X 4 LYS NZ :NH3+ -146:sc= 1.28 (180deg=0.298) USER MOD Single : X 5 ASN : amide:sc= -1.46! K(o=-1.5!,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 139:sc= 0.721 USER MOD Single : X 17 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.52) USER MOD Single : X 20 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0.828) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 30 THR OG1 : rot 143:sc= -2.49! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -88:sc= 0.553 USER MOD Single : X 47 HIS : no HD1:sc= -3.54 K(o=-3.5,f=-2.3) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : X 64 ASN : amide:sc= -2.46! C(o=-2.5!,f=-7.9!) USER MOD Single : X 77 LYS NZ :NH3+ 149:sc= 1.13 (180deg=0.149) USER MOD Single : X 80 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.19) USER MOD Single : X 86 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.75) USER MOD Single : X 88 LYS NZ :NH3+ -162:sc= -0.0725 (180deg=-0.401) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.625 2.149 8.276 1.00 0.00 N ATOM 2 CA GLU X 2 60.042 3.410 7.824 1.00 0.00 C ATOM 3 C GLU X 2 61.092 4.194 7.075 1.00 0.00 C ATOM 4 O GLU X 2 62.258 3.800 7.061 1.00 0.00 O ATOM 5 CB GLU X 2 59.548 4.229 9.005 1.00 0.00 C ATOM 6 CG GLU X 2 58.473 3.559 9.825 1.00 0.00 C ATOM 7 CD GLU X 2 58.020 4.439 10.943 1.00 0.00 C ATOM 8 OE1 GLU X 2 57.204 5.344 10.700 1.00 0.00 O ATOM 9 OE2 GLU X 2 58.496 4.269 12.077 1.00 0.00 O ATOM 0 HA GLU X 2 59.194 3.195 7.174 1.00 0.00 H new ATOM 0 HB2 GLU X 2 60.394 4.455 9.654 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.166 5.181 8.636 1.00 0.00 H new ATOM 0 HG2 GLU X 2 57.625 3.313 9.186 1.00 0.00 H new ATOM 0 HG3 GLU X 2 58.852 2.620 10.228 1.00 0.00 H new ATOM 16 N LEU X 3 60.702 5.299 6.466 1.00 0.00 N ATOM 17 CA LEU X 3 61.643 6.105 5.708 1.00 0.00 C ATOM 18 C LEU X 3 62.045 7.331 6.491 1.00 0.00 C ATOM 19 O LEU X 3 61.202 7.997 7.098 1.00 0.00 O ATOM 20 CB LEU X 3 61.062 6.534 4.354 1.00 0.00 C ATOM 21 CG LEU X 3 60.560 5.413 3.447 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.204 5.941 2.054 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.577 4.306 3.356 1.00 0.00 C ATOM 0 H LEU X 3 59.747 5.657 6.481 1.00 0.00 H new ATOM 0 HA LEU X 3 62.521 5.485 5.525 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.236 7.221 4.538 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.827 7.093 3.815 1.00 0.00 H new ATOM 0 HG LEU X 3 59.650 5.008 3.890 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.850 5.118 1.433 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.421 6.694 2.140 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.088 6.387 1.597 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.199 3.518 2.705 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.508 4.700 2.947 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.761 3.899 4.350 1.00 0.00 H new ATOM 35 N LYS X 4 63.319 7.600 6.507 1.00 0.00 N ATOM 36 CA LYS X 4 63.857 8.777 7.152 1.00 0.00 C ATOM 37 C LYS X 4 64.165 9.790 6.036 1.00 0.00 C ATOM 38 O LYS X 4 63.616 9.681 4.956 1.00 0.00 O ATOM 39 CB LYS X 4 65.162 8.426 7.892 1.00 0.00 C ATOM 40 CG LYS X 4 65.194 7.086 8.647 1.00 0.00 C ATOM 41 CD LYS X 4 63.983 6.838 9.499 1.00 0.00 C ATOM 42 CE LYS X 4 64.300 5.812 10.580 1.00 0.00 C ATOM 43 NZ LYS X 4 63.117 5.366 11.337 1.00 0.00 N ATOM 0 H LYS X 4 64.025 7.007 6.071 1.00 0.00 H new ATOM 0 HA LYS X 4 63.149 9.179 7.877 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.975 8.426 7.166 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.372 9.223 8.605 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.290 6.275 7.925 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.082 7.057 9.278 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.655 7.771 9.958 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.160 6.481 8.879 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.773 4.945 10.119 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.024 6.239 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.387 5.176 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.390 6.109 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.738 4.497 10.909 1.00 0.00 H new ATOM 57 N ASN X 5 64.975 10.796 6.297 1.00 0.00 N ATOM 58 CA ASN X 5 65.411 11.718 5.221 1.00 0.00 C ATOM 59 C ASN X 5 66.913 11.682 5.040 1.00 0.00 C ATOM 60 O ASN X 5 67.448 12.082 3.995 1.00 0.00 O ATOM 61 CB ASN X 5 64.934 13.163 5.435 1.00 0.00 C ATOM 62 CG ASN X 5 63.488 13.436 5.002 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.153 14.564 4.628 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.638 12.433 4.995 1.00 0.00 N ATOM 0 H ASN X 5 65.349 11.009 7.222 1.00 0.00 H new ATOM 0 HA ASN X 5 64.936 11.357 4.309 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.034 13.411 6.492 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.595 13.834 4.886 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.680 12.578 4.676 1.00 0.00 H new ATOM 0 HD22 ASN X 5 62.936 11.509 5.308 1.00 0.00 H new ATOM 71 N SER X 6 67.601 11.211 6.042 1.00 0.00 N ATOM 72 CA SER X 6 69.017 11.082 5.969 1.00 0.00 C ATOM 73 C SER X 6 69.434 9.738 6.534 1.00 0.00 C ATOM 74 O SER X 6 68.653 9.096 7.256 1.00 0.00 O ATOM 75 CB SER X 6 69.705 12.237 6.697 1.00 0.00 C ATOM 76 OG SER X 6 69.278 12.332 8.054 1.00 0.00 O ATOM 0 H SER X 6 67.192 10.909 6.926 1.00 0.00 H new ATOM 0 HA SER X 6 69.329 11.129 4.926 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.785 12.096 6.664 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.490 13.173 6.181 1.00 0.00 H new ATOM 0 HG SER X 6 69.738 13.079 8.490 1.00 0.00 H new ATOM 82 N ILE X 7 70.658 9.324 6.239 1.00 0.00 N ATOM 83 CA ILE X 7 71.171 8.027 6.663 1.00 0.00 C ATOM 84 C ILE X 7 71.392 8.002 8.182 1.00 0.00 C ATOM 85 O ILE X 7 71.480 6.946 8.798 1.00 0.00 O ATOM 86 CB ILE X 7 72.521 7.690 5.949 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.862 6.225 6.103 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.694 8.559 6.417 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.226 5.346 5.056 1.00 0.00 C ATOM 0 H ILE X 7 71.324 9.877 5.699 1.00 0.00 H new ATOM 0 HA ILE X 7 70.427 7.280 6.388 1.00 0.00 H new ATOM 0 HB ILE X 7 72.365 7.918 4.894 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.944 6.105 6.058 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.545 5.888 7.090 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.598 8.270 5.880 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.472 9.607 6.217 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.847 8.418 7.487 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.514 4.309 5.228 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.141 5.436 5.115 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.562 5.657 4.067 1.00 0.00 H new ATOM 101 N SER X 8 71.390 9.168 8.772 1.00 0.00 N ATOM 102 CA SER X 8 71.704 9.338 10.159 1.00 0.00 C ATOM 103 C SER X 8 70.601 8.814 11.066 1.00 0.00 C ATOM 104 O SER X 8 70.831 8.560 12.249 1.00 0.00 O ATOM 105 CB SER X 8 71.985 10.804 10.414 1.00 0.00 C ATOM 106 OG SER X 8 73.048 11.248 9.573 1.00 0.00 O ATOM 0 H SER X 8 71.166 10.039 8.291 1.00 0.00 H new ATOM 0 HA SER X 8 72.590 8.749 10.397 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.088 11.394 10.223 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.250 10.956 11.460 1.00 0.00 H new ATOM 0 HG SER X 8 73.224 12.197 9.741 1.00 0.00 H new ATOM 112 N ASP X 9 69.418 8.627 10.516 1.00 0.00 N ATOM 113 CA ASP X 9 68.324 8.098 11.303 1.00 0.00 C ATOM 114 C ASP X 9 68.068 6.660 10.887 1.00 0.00 C ATOM 115 O ASP X 9 67.180 5.997 11.387 1.00 0.00 O ATOM 116 CB ASP X 9 67.057 8.936 11.119 1.00 0.00 C ATOM 117 CG ASP X 9 66.053 8.748 12.246 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.440 8.888 13.427 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.860 8.510 11.989 1.00 0.00 O ATOM 0 H ASP X 9 69.192 8.830 9.542 1.00 0.00 H new ATOM 0 HA ASP X 9 68.595 8.136 12.358 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.330 9.989 11.055 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.586 8.671 10.172 1.00 0.00 H new ATOM 124 N TYR X 10 68.910 6.159 10.017 1.00 0.00 N ATOM 125 CA TYR X 10 68.734 4.830 9.485 1.00 0.00 C ATOM 126 C TYR X 10 69.570 3.861 10.238 1.00 0.00 C ATOM 127 O TYR X 10 70.780 4.029 10.348 1.00 0.00 O ATOM 128 CB TYR X 10 69.058 4.727 7.973 1.00 0.00 C ATOM 129 CG TYR X 10 67.884 4.987 7.042 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.941 3.989 6.803 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.717 6.204 6.404 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.862 4.202 5.964 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.643 6.423 5.557 1.00 0.00 C ATOM 134 CZ TYR X 10 65.722 5.419 5.348 1.00 0.00 C ATOM 135 OH TYR X 10 64.635 5.647 4.554 1.00 0.00 O ATOM 0 H TYR X 10 69.728 6.654 9.661 1.00 0.00 H new ATOM 0 HA TYR X 10 67.677 4.591 9.603 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.852 5.436 7.738 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.450 3.731 7.768 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.055 3.028 7.283 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.434 6.994 6.569 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.138 3.418 5.796 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.528 7.376 5.063 1.00 0.00 H new ATOM 0 HH TYR X 10 64.688 6.550 4.178 1.00 0.00 H new ATOM 145 N THR X 11 68.932 2.894 10.798 1.00 0.00 N ATOM 146 CA THR X 11 69.597 1.821 11.450 1.00 0.00 C ATOM 147 C THR X 11 69.857 0.772 10.395 1.00 0.00 C ATOM 148 O THR X 11 69.475 0.976 9.228 1.00 0.00 O ATOM 149 CB THR X 11 68.673 1.236 12.522 1.00 0.00 C ATOM 150 OG1 THR X 11 67.423 0.868 11.917 1.00 0.00 O ATOM 151 CG2 THR X 11 68.407 2.244 13.624 1.00 0.00 C ATOM 0 H THR X 11 67.914 2.825 10.816 1.00 0.00 H new ATOM 0 HA THR X 11 70.523 2.152 11.921 1.00 0.00 H new ATOM 0 HB THR X 11 69.161 0.364 12.958 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.123 0.010 12.282 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.748 1.801 14.371 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.349 2.527 14.093 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.932 3.129 13.201 1.00 0.00 H new ATOM 159 N GLU X 12 70.481 -0.328 10.764 1.00 0.00 N ATOM 160 CA GLU X 12 70.678 -1.421 9.823 1.00 0.00 C ATOM 161 C GLU X 12 69.319 -1.861 9.362 1.00 0.00 C ATOM 162 O GLU X 12 69.010 -1.840 8.190 1.00 0.00 O ATOM 163 CB GLU X 12 71.288 -2.642 10.509 1.00 0.00 C ATOM 164 CG GLU X 12 72.472 -2.377 11.376 1.00 0.00 C ATOM 165 CD GLU X 12 73.750 -2.098 10.619 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.392 -3.072 10.122 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.184 -0.963 10.591 1.00 0.00 O ATOM 0 H GLU X 12 70.858 -0.492 11.697 1.00 0.00 H new ATOM 0 HA GLU X 12 71.330 -1.074 9.022 1.00 0.00 H new ATOM 0 HB2 GLU X 12 70.517 -3.117 11.115 1.00 0.00 H new ATOM 0 HB3 GLU X 12 71.577 -3.360 9.741 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.252 -1.525 12.020 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.630 -3.237 12.027 1.00 0.00 H new ATOM 174 N ALA X 13 68.475 -2.135 10.328 1.00 0.00 N ATOM 175 CA ALA X 13 67.215 -2.737 10.064 1.00 0.00 C ATOM 176 C ALA X 13 66.229 -1.813 9.325 1.00 0.00 C ATOM 177 O ALA X 13 65.521 -2.269 8.441 1.00 0.00 O ATOM 178 CB ALA X 13 66.624 -3.352 11.303 1.00 0.00 C ATOM 0 H ALA X 13 68.653 -1.943 11.314 1.00 0.00 H new ATOM 0 HA ALA X 13 67.409 -3.550 9.364 1.00 0.00 H new ATOM 0 HB1 ALA X 13 65.661 -3.802 11.062 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.298 -4.119 11.685 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.484 -2.581 12.061 1.00 0.00 H new ATOM 184 N GLU X 14 66.204 -0.519 9.663 1.00 0.00 N ATOM 185 CA GLU X 14 65.350 0.438 8.923 1.00 0.00 C ATOM 186 C GLU X 14 65.765 0.500 7.486 1.00 0.00 C ATOM 187 O GLU X 14 64.930 0.600 6.571 1.00 0.00 O ATOM 188 CB GLU X 14 65.414 1.847 9.524 1.00 0.00 C ATOM 189 CG GLU X 14 64.540 2.037 10.732 1.00 0.00 C ATOM 190 CD GLU X 14 63.072 1.928 10.394 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.565 0.813 10.253 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.391 2.982 10.233 1.00 0.00 O ATOM 0 H GLU X 14 66.748 -0.110 10.423 1.00 0.00 H new ATOM 0 HA GLU X 14 64.324 0.078 9.001 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.446 2.068 9.797 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.124 2.570 8.761 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.795 1.290 11.484 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.739 3.014 11.173 1.00 0.00 H new ATOM 199 N PHE X 15 67.045 0.397 7.280 1.00 0.00 N ATOM 200 CA PHE X 15 67.585 0.485 5.987 1.00 0.00 C ATOM 201 C PHE X 15 67.322 -0.824 5.237 1.00 0.00 C ATOM 202 O PHE X 15 66.871 -0.805 4.100 1.00 0.00 O ATOM 203 CB PHE X 15 69.056 0.801 6.108 1.00 0.00 C ATOM 204 CG PHE X 15 69.709 1.209 4.856 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.483 2.454 4.321 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.568 0.365 4.228 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.117 2.835 3.173 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.211 0.736 3.085 1.00 0.00 C ATOM 209 CZ PHE X 15 70.980 1.974 2.560 1.00 0.00 C ATOM 0 H PHE X 15 67.733 0.249 8.018 1.00 0.00 H new ATOM 0 HA PHE X 15 67.114 1.282 5.411 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.182 1.597 6.842 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.570 -0.077 6.499 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.801 3.134 4.810 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.745 -0.617 4.641 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.936 3.813 2.752 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.896 0.057 2.600 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.484 2.274 1.653 1.00 0.00 H new ATOM 219 N VAL X 16 67.548 -1.963 5.906 1.00 0.00 N ATOM 220 CA VAL X 16 67.305 -3.269 5.296 1.00 0.00 C ATOM 221 C VAL X 16 65.824 -3.442 4.945 1.00 0.00 C ATOM 222 O VAL X 16 65.503 -4.089 3.962 1.00 0.00 O ATOM 223 CB VAL X 16 67.793 -4.494 6.161 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.213 -4.368 6.645 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.843 -4.885 7.271 1.00 0.00 C ATOM 0 H VAL X 16 67.897 -2.002 6.864 1.00 0.00 H new ATOM 0 HA VAL X 16 67.910 -3.274 4.389 1.00 0.00 H new ATOM 0 HB VAL X 16 67.785 -5.328 5.459 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.477 -5.248 7.232 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.883 -4.289 5.789 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.308 -3.476 7.264 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.252 -5.735 7.818 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.713 -4.044 7.952 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.878 -5.159 6.844 1.00 0.00 H new ATOM 235 N GLN X 17 64.936 -2.856 5.755 1.00 0.00 N ATOM 236 CA GLN X 17 63.524 -2.907 5.531 1.00 0.00 C ATOM 237 C GLN X 17 63.172 -2.165 4.256 1.00 0.00 C ATOM 238 O GLN X 17 62.465 -2.698 3.401 1.00 0.00 O ATOM 239 CB GLN X 17 62.797 -2.332 6.750 1.00 0.00 C ATOM 240 CG GLN X 17 61.322 -2.136 6.558 1.00 0.00 C ATOM 241 CD GLN X 17 60.592 -3.404 6.161 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.977 -4.521 6.544 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.564 -3.248 5.369 1.00 0.00 N ATOM 0 H GLN X 17 65.201 -2.332 6.589 1.00 0.00 H new ATOM 0 HA GLN X 17 63.202 -3.941 5.403 1.00 0.00 H new ATOM 0 HB2 GLN X 17 62.955 -2.997 7.599 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.248 -1.374 7.008 1.00 0.00 H new ATOM 0 HG2 GLN X 17 60.891 -1.752 7.482 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.161 -1.378 5.792 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.281 -2.312 5.078 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.044 -4.062 5.042 1.00 0.00 H new ATOM 252 N LEU X 18 63.708 -0.962 4.115 1.00 0.00 N ATOM 253 CA LEU X 18 63.510 -0.165 2.910 1.00 0.00 C ATOM 254 C LEU X 18 63.991 -0.931 1.708 1.00 0.00 C ATOM 255 O LEU X 18 63.294 -1.064 0.730 1.00 0.00 O ATOM 256 CB LEU X 18 64.287 1.157 3.032 1.00 0.00 C ATOM 257 CG LEU X 18 64.513 1.976 1.741 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.220 2.353 1.059 1.00 0.00 C ATOM 259 CD2 LEU X 18 65.350 3.211 2.029 1.00 0.00 C ATOM 0 H LEU X 18 64.287 -0.513 4.824 1.00 0.00 H new ATOM 0 HA LEU X 18 62.448 0.052 2.792 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.760 1.792 3.745 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.263 0.935 3.464 1.00 0.00 H new ATOM 0 HG LEU X 18 65.058 1.333 1.050 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.438 2.927 0.158 1.00 0.00 H new ATOM 0 HD12 LEU X 18 62.673 1.449 0.790 1.00 0.00 H new ATOM 0 HD13 LEU X 18 62.614 2.956 1.736 1.00 0.00 H new ATOM 0 HD21 LEU X 18 65.498 3.774 1.107 1.00 0.00 H new ATOM 0 HD22 LEU X 18 64.836 3.837 2.758 1.00 0.00 H new ATOM 0 HD23 LEU X 18 66.318 2.909 2.429 1.00 0.00 H new ATOM 271 N LEU X 19 65.151 -1.467 1.842 1.00 0.00 N ATOM 272 CA LEU X 19 65.795 -2.258 0.806 1.00 0.00 C ATOM 273 C LEU X 19 64.999 -3.466 0.402 1.00 0.00 C ATOM 274 O LEU X 19 64.917 -3.773 -0.779 1.00 0.00 O ATOM 275 CB LEU X 19 67.182 -2.618 1.237 1.00 0.00 C ATOM 276 CG LEU X 19 68.259 -1.600 0.862 1.00 0.00 C ATOM 277 CD1 LEU X 19 67.885 -0.205 1.282 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.517 -1.970 1.518 1.00 0.00 C ATOM 0 H LEU X 19 65.709 -1.377 2.691 1.00 0.00 H new ATOM 0 HA LEU X 19 65.851 -1.643 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.188 -2.749 2.319 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.444 -3.581 0.798 1.00 0.00 H new ATOM 0 HG LEU X 19 68.365 -1.610 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU X 19 68.678 0.486 0.996 1.00 0.00 H new ATOM 0 HD12 LEU X 19 66.956 0.086 0.792 1.00 0.00 H new ATOM 0 HD13 LEU X 19 67.749 -0.175 2.363 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.290 -1.248 1.255 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.376 -1.974 2.599 1.00 0.00 H new ATOM 0 HD23 LEU X 19 69.821 -2.964 1.188 1.00 0.00 H new ATOM 290 N LYS X 20 64.376 -4.130 1.366 1.00 0.00 N ATOM 291 CA LYS X 20 63.518 -5.259 1.056 1.00 0.00 C ATOM 292 C LYS X 20 62.330 -4.797 0.225 1.00 0.00 C ATOM 293 O LYS X 20 61.895 -5.486 -0.716 1.00 0.00 O ATOM 294 CB LYS X 20 63.014 -5.972 2.308 1.00 0.00 C ATOM 295 CG LYS X 20 64.084 -6.680 3.106 1.00 0.00 C ATOM 296 CD LYS X 20 63.459 -7.754 3.996 1.00 0.00 C ATOM 297 CE LYS X 20 64.503 -8.585 4.728 1.00 0.00 C ATOM 298 NZ LYS X 20 65.249 -7.811 5.732 1.00 0.00 N ATOM 0 H LYS X 20 64.449 -3.908 2.359 1.00 0.00 H new ATOM 0 HA LYS X 20 64.120 -5.971 0.491 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.523 -5.243 2.952 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.257 -6.700 2.015 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.810 -7.134 2.431 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.626 -5.960 3.719 1.00 0.00 H new ATOM 0 HD2 LYS X 20 62.801 -7.280 4.724 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.839 -8.411 3.386 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.013 -9.427 5.216 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.203 -9.000 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.873 -8.448 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 65.822 -7.085 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.581 -7.352 6.383 1.00 0.00 H new ATOM 312 N GLU X 21 61.820 -3.619 0.566 1.00 0.00 N ATOM 313 CA GLU X 21 60.729 -3.017 -0.162 1.00 0.00 C ATOM 314 C GLU X 21 61.170 -2.665 -1.570 1.00 0.00 C ATOM 315 O GLU X 21 60.420 -2.846 -2.520 1.00 0.00 O ATOM 316 CB GLU X 21 60.177 -1.774 0.552 1.00 0.00 C ATOM 317 CG GLU X 21 59.561 -2.050 1.912 1.00 0.00 C ATOM 318 CD GLU X 21 58.921 -0.820 2.512 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.819 -0.437 2.067 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.491 -0.213 3.450 1.00 0.00 O ATOM 0 H GLU X 21 62.155 -3.063 1.353 1.00 0.00 H new ATOM 0 HA GLU X 21 59.923 -3.749 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU X 21 60.984 -1.052 0.673 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.425 -1.308 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU X 21 58.812 -2.836 1.816 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.330 -2.423 2.588 1.00 0.00 H new ATOM 327 N ILE X 22 62.400 -2.207 -1.693 1.00 0.00 N ATOM 328 CA ILE X 22 62.951 -1.840 -2.983 1.00 0.00 C ATOM 329 C ILE X 22 63.120 -3.081 -3.862 1.00 0.00 C ATOM 330 O ILE X 22 62.805 -3.059 -5.019 1.00 0.00 O ATOM 331 CB ILE X 22 64.306 -1.088 -2.870 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.181 0.082 -1.886 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.693 -0.565 -4.245 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.432 0.913 -1.712 1.00 0.00 C ATOM 0 H ILE X 22 63.041 -2.079 -0.910 1.00 0.00 H new ATOM 0 HA ILE X 22 62.239 -1.154 -3.442 1.00 0.00 H new ATOM 0 HB ILE X 22 65.072 -1.770 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.375 0.734 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE X 22 63.888 -0.312 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.643 -0.035 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.792 -1.401 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE X 22 63.922 0.116 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.241 1.713 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.240 0.282 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE X 22 65.719 1.344 -2.671 1.00 0.00 H new ATOM 346 N GLU X 23 63.577 -4.184 -3.278 1.00 0.00 N ATOM 347 CA GLU X 23 63.729 -5.448 -4.028 1.00 0.00 C ATOM 348 C GLU X 23 62.395 -5.856 -4.618 1.00 0.00 C ATOM 349 O GLU X 23 62.293 -6.268 -5.777 1.00 0.00 O ATOM 350 CB GLU X 23 64.105 -6.568 -3.101 1.00 0.00 C ATOM 351 CG GLU X 23 65.413 -6.468 -2.384 1.00 0.00 C ATOM 352 CD GLU X 23 65.592 -7.697 -1.529 1.00 0.00 C ATOM 353 OE1 GLU X 23 64.878 -7.829 -0.499 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.386 -8.580 -1.892 1.00 0.00 O ATOM 0 H GLU X 23 63.849 -4.239 -2.297 1.00 0.00 H new ATOM 0 HA GLU X 23 64.490 -5.282 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.319 -6.662 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.108 -7.493 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.231 -6.384 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.437 -5.571 -1.765 1.00 0.00 H new ATOM 361 N LYS X 24 61.404 -5.701 -3.795 1.00 0.00 N ATOM 362 CA LYS X 24 60.043 -6.064 -4.047 1.00 0.00 C ATOM 363 C LYS X 24 59.480 -5.314 -5.257 1.00 0.00 C ATOM 364 O LYS X 24 58.966 -5.937 -6.200 1.00 0.00 O ATOM 365 CB LYS X 24 59.295 -5.704 -2.784 1.00 0.00 C ATOM 366 CG LYS X 24 57.794 -5.828 -2.795 1.00 0.00 C ATOM 367 CD LYS X 24 57.258 -5.181 -1.540 1.00 0.00 C ATOM 368 CE LYS X 24 55.754 -5.238 -1.438 1.00 0.00 C ATOM 369 NZ LYS X 24 55.292 -4.576 -0.202 1.00 0.00 N ATOM 0 H LYS X 24 61.533 -5.291 -2.870 1.00 0.00 H new ATOM 0 HA LYS X 24 59.948 -7.123 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.677 -6.332 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.544 -4.674 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.379 -5.344 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.499 -6.877 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.694 -5.673 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.579 -4.140 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.307 -4.753 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.423 -6.276 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.255 -4.625 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.704 -5.056 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.592 -3.580 -0.209 1.00 0.00 H new ATOM 383 N GLU X 25 59.611 -4.004 -5.251 1.00 0.00 N ATOM 384 CA GLU X 25 59.076 -3.201 -6.318 1.00 0.00 C ATOM 385 C GLU X 25 60.005 -3.109 -7.527 1.00 0.00 C ATOM 386 O GLU X 25 59.536 -3.103 -8.662 1.00 0.00 O ATOM 387 CB GLU X 25 58.537 -1.837 -5.803 1.00 0.00 C ATOM 388 CG GLU X 25 59.459 -1.045 -4.913 1.00 0.00 C ATOM 389 CD GLU X 25 60.429 -0.298 -5.717 1.00 0.00 C ATOM 390 OE1 GLU X 25 59.966 0.463 -6.541 1.00 0.00 O ATOM 391 OE2 GLU X 25 61.628 -0.465 -5.550 1.00 0.00 O ATOM 0 H GLU X 25 60.084 -3.477 -4.517 1.00 0.00 H new ATOM 0 HA GLU X 25 58.202 -3.725 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.284 -1.222 -6.666 1.00 0.00 H new ATOM 0 HB3 GLU X 25 57.610 -2.019 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.879 -0.356 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU X 25 59.982 -1.716 -4.232 1.00 0.00 H new ATOM 398 N ASN X 26 61.309 -3.128 -7.294 1.00 0.00 N ATOM 399 CA ASN X 26 62.299 -3.049 -8.372 1.00 0.00 C ATOM 400 C ASN X 26 62.126 -4.179 -9.370 1.00 0.00 C ATOM 401 O ASN X 26 62.108 -3.946 -10.583 1.00 0.00 O ATOM 402 CB ASN X 26 63.732 -3.052 -7.826 1.00 0.00 C ATOM 403 CG ASN X 26 64.771 -2.785 -8.892 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.294 -3.701 -9.531 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.081 -1.528 -9.087 1.00 0.00 N ATOM 0 H ASN X 26 61.715 -3.198 -6.361 1.00 0.00 H new ATOM 0 HA ASN X 26 62.128 -2.103 -8.885 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.819 -2.297 -7.045 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.936 -4.017 -7.361 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.778 -1.277 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.626 -0.799 -8.538 1.00 0.00 H new ATOM 412 N VAL X 27 61.949 -5.399 -8.867 1.00 0.00 N ATOM 413 CA VAL X 27 61.777 -6.558 -9.746 1.00 0.00 C ATOM 414 C VAL X 27 60.368 -6.594 -10.347 1.00 0.00 C ATOM 415 O VAL X 27 60.153 -7.150 -11.425 1.00 0.00 O ATOM 416 CB VAL X 27 62.097 -7.914 -9.044 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.533 -7.939 -8.537 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.118 -8.209 -7.911 1.00 0.00 C ATOM 0 H VAL X 27 61.921 -5.611 -7.870 1.00 0.00 H new ATOM 0 HA VAL X 27 62.505 -6.434 -10.548 1.00 0.00 H new ATOM 0 HB VAL X 27 61.982 -8.701 -9.790 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.731 -8.895 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.217 -7.809 -9.376 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.680 -7.131 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.374 -9.162 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.175 -7.416 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.105 -8.261 -8.310 1.00 0.00 H new ATOM 428 N ALA X 28 59.425 -5.960 -9.660 1.00 0.00 N ATOM 429 CA ALA X 28 58.031 -5.907 -10.096 1.00 0.00 C ATOM 430 C ALA X 28 57.866 -4.853 -11.185 1.00 0.00 C ATOM 431 O ALA X 28 56.900 -4.882 -11.958 1.00 0.00 O ATOM 432 CB ALA X 28 57.126 -5.579 -8.912 1.00 0.00 C ATOM 0 H ALA X 28 59.603 -5.468 -8.785 1.00 0.00 H new ATOM 0 HA ALA X 28 57.749 -6.880 -10.498 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.089 -5.541 -9.246 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.233 -6.349 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.408 -4.612 -8.495 1.00 0.00 H new ATOM 438 N ALA X 29 58.820 -3.934 -11.206 1.00 0.00 N ATOM 439 CA ALA X 29 58.897 -2.809 -12.119 1.00 0.00 C ATOM 440 C ALA X 29 57.831 -1.786 -11.836 1.00 0.00 C ATOM 441 O ALA X 29 56.738 -1.802 -12.404 1.00 0.00 O ATOM 442 CB ALA X 29 58.946 -3.195 -13.587 1.00 0.00 C ATOM 0 H ALA X 29 59.601 -3.957 -10.551 1.00 0.00 H new ATOM 0 HA ALA X 29 59.864 -2.346 -11.921 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.003 -2.294 -14.198 1.00 0.00 H new ATOM 0 HB2 ALA X 29 59.824 -3.814 -13.771 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.047 -3.754 -13.847 1.00 0.00 H new ATOM 448 N THR X 30 58.110 -0.996 -10.875 1.00 0.00 N ATOM 449 CA THR X 30 57.316 0.116 -10.498 1.00 0.00 C ATOM 450 C THR X 30 57.923 1.360 -11.115 1.00 0.00 C ATOM 451 O THR X 30 58.901 1.255 -11.883 1.00 0.00 O ATOM 452 CB THR X 30 57.395 0.198 -8.994 1.00 0.00 C ATOM 453 OG1 THR X 30 58.680 -0.330 -8.628 1.00 0.00 O ATOM 454 CG2 THR X 30 56.304 -0.623 -8.359 1.00 0.00 C ATOM 0 H THR X 30 58.942 -1.109 -10.296 1.00 0.00 H new ATOM 0 HA THR X 30 56.282 0.023 -10.829 1.00 0.00 H new ATOM 0 HB THR X 30 57.270 1.226 -8.653 1.00 0.00 H new ATOM 0 HG1 THR X 30 59.041 0.182 -7.875 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.379 -0.550 -7.274 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.332 -0.249 -8.682 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.410 -1.665 -8.661 1.00 0.00 H new ATOM 462 N ASP X 31 57.389 2.522 -10.807 1.00 0.00 N ATOM 463 CA ASP X 31 57.971 3.741 -11.316 1.00 0.00 C ATOM 464 C ASP X 31 58.012 4.828 -10.298 1.00 0.00 C ATOM 465 O ASP X 31 59.080 5.344 -10.011 1.00 0.00 O ATOM 466 CB ASP X 31 57.344 4.237 -12.610 1.00 0.00 C ATOM 467 CG ASP X 31 57.722 3.424 -13.835 1.00 0.00 C ATOM 468 OD1 ASP X 31 58.802 3.669 -14.422 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.942 2.540 -14.242 1.00 0.00 O ATOM 0 H ASP X 31 56.567 2.647 -10.217 1.00 0.00 H new ATOM 0 HA ASP X 31 58.998 3.466 -11.557 1.00 0.00 H new ATOM 0 HB2 ASP X 31 56.259 4.228 -12.502 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.640 5.274 -12.770 1.00 0.00 H new ATOM 474 N ASP X 32 56.870 5.173 -9.727 1.00 0.00 N ATOM 475 CA ASP X 32 56.830 6.245 -8.731 1.00 0.00 C ATOM 476 C ASP X 32 57.633 5.888 -7.535 1.00 0.00 C ATOM 477 O ASP X 32 58.590 6.576 -7.211 1.00 0.00 O ATOM 478 CB ASP X 32 55.424 6.602 -8.265 1.00 0.00 C ATOM 479 CG ASP X 32 55.457 7.707 -7.215 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.742 8.872 -7.573 1.00 0.00 O ATOM 481 OD2 ASP X 32 55.217 7.432 -6.017 1.00 0.00 O ATOM 0 H ASP X 32 55.969 4.738 -9.927 1.00 0.00 H new ATOM 0 HA ASP X 32 57.247 7.115 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.826 6.924 -9.117 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.939 5.718 -7.851 1.00 0.00 H new ATOM 486 N VAL X 33 57.294 4.775 -6.919 1.00 0.00 N ATOM 487 CA VAL X 33 57.948 4.386 -5.686 1.00 0.00 C ATOM 488 C VAL X 33 59.343 3.915 -6.000 1.00 0.00 C ATOM 489 O VAL X 33 60.255 4.143 -5.249 1.00 0.00 O ATOM 490 CB VAL X 33 57.148 3.315 -4.875 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.095 1.969 -5.563 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.669 3.181 -3.458 1.00 0.00 C ATOM 0 H VAL X 33 56.576 4.129 -7.247 1.00 0.00 H new ATOM 0 HA VAL X 33 57.992 5.261 -5.037 1.00 0.00 H new ATOM 0 HB VAL X 33 56.123 3.682 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.526 1.269 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.613 2.076 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.108 1.590 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.088 2.428 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.717 2.881 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.578 4.138 -2.945 1.00 0.00 H new ATOM 502 N LEU X 34 59.482 3.369 -7.178 1.00 0.00 N ATOM 503 CA LEU X 34 60.736 2.874 -7.687 1.00 0.00 C ATOM 504 C LEU X 34 61.719 3.999 -7.773 1.00 0.00 C ATOM 505 O LEU X 34 62.807 3.924 -7.223 1.00 0.00 O ATOM 506 CB LEU X 34 60.437 2.167 -9.035 1.00 0.00 C ATOM 507 CG LEU X 34 61.546 1.476 -9.822 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.416 2.465 -10.539 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.356 0.557 -8.934 1.00 0.00 C ATOM 0 H LEU X 34 58.706 3.252 -7.829 1.00 0.00 H new ATOM 0 HA LEU X 34 61.202 2.140 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.670 1.418 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU X 34 59.994 2.912 -9.695 1.00 0.00 H new ATOM 0 HG LEU X 34 61.072 0.859 -10.585 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.194 1.934 -11.088 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.810 3.044 -11.236 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.877 3.136 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.139 0.079 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.810 1.135 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.704 -0.206 -8.509 1.00 0.00 H new ATOM 521 N ASP X 35 61.311 5.076 -8.377 1.00 0.00 N ATOM 522 CA ASP X 35 62.178 6.224 -8.486 1.00 0.00 C ATOM 523 C ASP X 35 62.362 6.884 -7.148 1.00 0.00 C ATOM 524 O ASP X 35 63.370 7.520 -6.913 1.00 0.00 O ATOM 525 CB ASP X 35 61.700 7.215 -9.551 1.00 0.00 C ATOM 526 CG ASP X 35 62.664 8.366 -9.779 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.658 8.199 -10.530 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.435 9.471 -9.248 1.00 0.00 O ATOM 0 H ASP X 35 60.390 5.189 -8.801 1.00 0.00 H new ATOM 0 HA ASP X 35 63.152 5.866 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.552 6.683 -10.491 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.731 7.616 -9.255 1.00 0.00 H new ATOM 533 N VAL X 36 61.419 6.709 -6.240 1.00 0.00 N ATOM 534 CA VAL X 36 61.606 7.283 -4.922 1.00 0.00 C ATOM 535 C VAL X 36 62.666 6.540 -4.218 1.00 0.00 C ATOM 536 O VAL X 36 63.635 7.112 -3.785 1.00 0.00 O ATOM 537 CB VAL X 36 60.381 7.085 -4.007 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.645 7.608 -2.647 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.189 7.708 -4.513 1.00 0.00 C ATOM 0 H VAL X 36 60.549 6.195 -6.381 1.00 0.00 H new ATOM 0 HA VAL X 36 61.816 8.340 -5.088 1.00 0.00 H new ATOM 0 HB VAL X 36 60.212 6.009 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.765 7.456 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.494 7.081 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.870 8.673 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.365 7.531 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.354 8.781 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.943 7.286 -5.487 1.00 0.00 H new ATOM 549 N LEU X 37 62.509 5.260 -4.205 1.00 0.00 N ATOM 550 CA LEU X 37 63.317 4.426 -3.410 1.00 0.00 C ATOM 551 C LEU X 37 64.703 4.376 -3.901 1.00 0.00 C ATOM 552 O LEU X 37 65.638 4.465 -3.121 1.00 0.00 O ATOM 553 CB LEU X 37 62.741 3.058 -3.290 1.00 0.00 C ATOM 554 CG LEU X 37 61.282 2.956 -2.793 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.867 1.511 -2.593 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.059 3.759 -1.514 1.00 0.00 C ATOM 0 H LEU X 37 61.806 4.766 -4.755 1.00 0.00 H new ATOM 0 HA LEU X 37 63.340 4.865 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.801 2.578 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.371 2.483 -2.612 1.00 0.00 H new ATOM 0 HG LEU X 37 60.652 3.389 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.835 1.474 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU X 37 60.949 0.975 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.518 1.044 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.020 3.660 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.714 3.382 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.283 4.809 -1.700 1.00 0.00 H new ATOM 568 N LEU X 38 64.832 4.267 -5.185 1.00 0.00 N ATOM 569 CA LEU X 38 66.105 4.216 -5.809 1.00 0.00 C ATOM 570 C LEU X 38 66.896 5.477 -5.543 1.00 0.00 C ATOM 571 O LEU X 38 68.068 5.403 -5.183 1.00 0.00 O ATOM 572 CB LEU X 38 65.956 3.893 -7.287 1.00 0.00 C ATOM 573 CG LEU X 38 65.402 2.497 -7.620 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.560 2.203 -9.083 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.040 1.401 -6.776 1.00 0.00 C ATOM 0 H LEU X 38 64.045 4.211 -5.832 1.00 0.00 H new ATOM 0 HA LEU X 38 66.687 3.406 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.301 4.639 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.932 3.998 -7.762 1.00 0.00 H new ATOM 0 HG LEU X 38 64.340 2.507 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.163 1.211 -9.300 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.016 2.947 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.617 2.237 -9.349 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.614 0.436 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.116 1.386 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.847 1.596 -5.721 1.00 0.00 H new ATOM 587 N GLU X 39 66.242 6.620 -5.645 1.00 0.00 N ATOM 588 CA GLU X 39 66.890 7.884 -5.348 1.00 0.00 C ATOM 589 C GLU X 39 67.146 8.030 -3.865 1.00 0.00 C ATOM 590 O GLU X 39 68.211 8.452 -3.451 1.00 0.00 O ATOM 591 CB GLU X 39 66.033 9.038 -5.778 1.00 0.00 C ATOM 592 CG GLU X 39 65.838 9.191 -7.257 1.00 0.00 C ATOM 593 CD GLU X 39 67.117 9.346 -8.008 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.697 10.451 -8.007 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.570 8.375 -8.634 1.00 0.00 O ATOM 0 H GLU X 39 65.266 6.699 -5.930 1.00 0.00 H new ATOM 0 HA GLU X 39 67.834 7.890 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.054 8.933 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.474 9.957 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.304 8.320 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.207 10.059 -7.445 1.00 0.00 H new ATOM 602 N HIS X 40 66.152 7.677 -3.085 1.00 0.00 N ATOM 603 CA HIS X 40 66.177 7.830 -1.645 1.00 0.00 C ATOM 604 C HIS X 40 67.334 7.045 -1.071 1.00 0.00 C ATOM 605 O HIS X 40 68.099 7.544 -0.260 1.00 0.00 O ATOM 606 CB HIS X 40 64.837 7.338 -1.063 1.00 0.00 C ATOM 607 CG HIS X 40 64.619 7.617 0.390 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.639 8.456 0.869 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.254 7.128 1.478 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.712 8.452 2.194 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.681 7.658 2.616 1.00 0.00 N ATOM 0 H HIS X 40 65.287 7.268 -3.437 1.00 0.00 H new ATOM 0 HA HIS X 40 66.311 8.879 -1.382 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.026 7.798 -1.628 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.766 6.262 -1.222 1.00 0.00 H new ATOM 0 HD1 HIS X 40 62.975 8.987 0.306 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.080 6.432 1.460 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.064 9.023 2.843 1.00 0.00 H new ATOM 619 N PHE X 41 67.470 5.849 -1.545 1.00 0.00 N ATOM 620 CA PHE X 41 68.523 4.972 -1.159 1.00 0.00 C ATOM 621 C PHE X 41 69.891 5.579 -1.491 1.00 0.00 C ATOM 622 O PHE X 41 70.770 5.662 -0.629 1.00 0.00 O ATOM 623 CB PHE X 41 68.311 3.646 -1.872 1.00 0.00 C ATOM 624 CG PHE X 41 69.447 2.697 -1.785 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.713 2.039 -0.616 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.244 2.454 -2.876 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.763 1.153 -0.528 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.290 1.571 -2.780 1.00 0.00 C ATOM 629 CZ PHE X 41 71.549 0.922 -1.610 1.00 0.00 C ATOM 0 H PHE X 41 66.832 5.445 -2.231 1.00 0.00 H new ATOM 0 HA PHE X 41 68.508 4.814 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.424 3.166 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.104 3.845 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.091 2.217 0.249 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.048 2.958 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE X 41 70.961 0.642 0.402 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.915 1.388 -3.642 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.374 0.228 -1.544 1.00 0.00 H new ATOM 639 N VAL X 42 70.067 6.003 -2.714 1.00 0.00 N ATOM 640 CA VAL X 42 71.320 6.585 -3.130 1.00 0.00 C ATOM 641 C VAL X 42 71.622 7.931 -2.471 1.00 0.00 C ATOM 642 O VAL X 42 72.753 8.230 -2.201 1.00 0.00 O ATOM 643 CB VAL X 42 71.523 6.577 -4.669 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.504 7.331 -5.416 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.918 6.946 -5.097 1.00 0.00 C ATOM 0 H VAL X 42 69.356 5.957 -3.444 1.00 0.00 H new ATOM 0 HA VAL X 42 72.087 5.914 -2.743 1.00 0.00 H new ATOM 0 HB VAL X 42 71.381 5.531 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.719 7.275 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.520 6.904 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.517 8.373 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.984 6.919 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.153 7.950 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.628 6.237 -4.673 1.00 0.00 H new ATOM 655 N LYS X 43 70.615 8.704 -2.178 1.00 0.00 N ATOM 656 CA LYS X 43 70.831 10.020 -1.537 1.00 0.00 C ATOM 657 C LYS X 43 71.295 9.883 -0.082 1.00 0.00 C ATOM 658 O LYS X 43 72.113 10.661 0.385 1.00 0.00 O ATOM 659 CB LYS X 43 69.584 10.937 -1.606 1.00 0.00 C ATOM 660 CG LYS X 43 68.436 10.560 -0.648 1.00 0.00 C ATOM 661 CD LYS X 43 67.214 11.448 -0.842 1.00 0.00 C ATOM 662 CE LYS X 43 67.473 12.881 -0.387 1.00 0.00 C ATOM 663 NZ LYS X 43 66.376 13.781 -0.770 1.00 0.00 N ATOM 0 H LYS X 43 69.639 8.472 -2.360 1.00 0.00 H new ATOM 0 HA LYS X 43 71.625 10.494 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.893 11.960 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.202 10.927 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.157 9.519 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.783 10.641 0.382 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.928 11.447 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.374 11.036 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.599 12.902 0.695 1.00 0.00 H new ATOM 0 HE3 LYS X 43 68.406 13.238 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 66.588 14.745 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.272 13.781 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 65.491 13.455 -0.333 1.00 0.00 H new ATOM 677 N ILE X 44 70.772 8.917 0.629 1.00 0.00 N ATOM 678 CA ILE X 44 71.148 8.742 2.018 1.00 0.00 C ATOM 679 C ILE X 44 72.503 8.044 2.129 1.00 0.00 C ATOM 680 O ILE X 44 73.285 8.308 3.044 1.00 0.00 O ATOM 681 CB ILE X 44 70.047 7.993 2.826 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.705 6.650 2.171 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.799 8.869 2.937 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.610 5.875 2.856 1.00 0.00 C ATOM 0 H ILE X 44 70.091 8.243 0.279 1.00 0.00 H new ATOM 0 HA ILE X 44 71.245 9.732 2.463 1.00 0.00 H new ATOM 0 HB ILE X 44 70.428 7.789 3.827 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.411 6.830 1.137 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.605 6.035 2.144 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.032 8.340 3.503 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.051 9.798 3.448 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.423 9.094 1.939 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.437 4.940 2.323 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.905 5.658 3.883 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.694 6.465 2.859 1.00 0.00 H new ATOM 696 N THR X 45 72.797 7.188 1.180 1.00 0.00 N ATOM 697 CA THR X 45 74.048 6.478 1.186 1.00 0.00 C ATOM 698 C THR X 45 75.146 7.307 0.557 1.00 0.00 C ATOM 699 O THR X 45 76.269 7.362 1.075 1.00 0.00 O ATOM 700 CB THR X 45 73.925 5.143 0.442 1.00 0.00 C ATOM 701 OG1 THR X 45 73.451 5.364 -0.895 1.00 0.00 O ATOM 702 CG2 THR X 45 72.959 4.247 1.153 1.00 0.00 C ATOM 0 H THR X 45 72.185 6.968 0.394 1.00 0.00 H new ATOM 0 HA THR X 45 74.306 6.282 2.227 1.00 0.00 H new ATOM 0 HB THR X 45 74.909 4.675 0.410 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.471 5.354 -0.901 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.878 3.301 0.617 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.314 4.061 2.167 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.981 4.726 1.193 1.00 0.00 H new ATOM 710 N GLU X 46 74.784 7.952 -0.551 1.00 0.00 N ATOM 711 CA GLU X 46 75.647 8.756 -1.393 1.00 0.00 C ATOM 712 C GLU X 46 76.657 7.880 -2.105 1.00 0.00 C ATOM 713 O GLU X 46 77.716 8.331 -2.550 1.00 0.00 O ATOM 714 CB GLU X 46 76.260 9.912 -0.627 1.00 0.00 C ATOM 715 CG GLU X 46 75.213 10.848 -0.080 1.00 0.00 C ATOM 716 CD GLU X 46 75.789 12.073 0.547 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.154 12.034 1.740 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.886 13.116 -0.150 1.00 0.00 O ATOM 0 H GLU X 46 73.825 7.921 -0.898 1.00 0.00 H new ATOM 0 HA GLU X 46 75.046 9.225 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.863 9.523 0.194 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.933 10.465 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.541 11.142 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.612 10.318 0.659 1.00 0.00 H new ATOM 725 N HIS X 47 76.264 6.629 -2.281 1.00 0.00 N ATOM 726 CA HIS X 47 77.073 5.653 -2.958 1.00 0.00 C ATOM 727 C HIS X 47 76.904 5.871 -4.474 1.00 0.00 C ATOM 728 O HIS X 47 75.790 6.004 -4.937 1.00 0.00 O ATOM 729 CB HIS X 47 76.617 4.230 -2.558 1.00 0.00 C ATOM 730 CG HIS X 47 77.545 3.158 -3.022 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.310 2.323 -4.086 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.761 2.832 -2.563 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.390 1.546 -4.234 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.292 1.818 -3.333 1.00 0.00 N ATOM 0 H HIS X 47 75.368 6.269 -1.953 1.00 0.00 H new ATOM 0 HA HIS X 47 78.122 5.761 -2.682 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.526 4.177 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.625 4.045 -2.970 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.251 3.293 -1.718 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.500 0.792 -5.000 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.203 1.373 -3.221 1.00 0.00 H new ATOM 742 N PRO X 48 77.986 5.850 -5.272 1.00 0.00 N ATOM 743 CA PRO X 48 77.929 6.182 -6.719 1.00 0.00 C ATOM 744 C PRO X 48 77.203 5.149 -7.521 1.00 0.00 C ATOM 745 O PRO X 48 76.772 5.391 -8.650 1.00 0.00 O ATOM 746 CB PRO X 48 79.381 6.116 -7.147 1.00 0.00 C ATOM 747 CG PRO X 48 80.170 6.161 -5.914 1.00 0.00 C ATOM 748 CD PRO X 48 79.343 5.474 -4.886 1.00 0.00 C ATOM 0 HA PRO X 48 77.421 7.134 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.582 5.201 -7.705 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.633 6.950 -7.802 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.130 5.661 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.384 7.189 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.486 4.394 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.586 5.810 -3.878 1.00 0.00 H new ATOM 756 N ASP X 49 77.029 4.027 -6.921 1.00 0.00 N ATOM 757 CA ASP X 49 76.529 2.898 -7.573 1.00 0.00 C ATOM 758 C ASP X 49 75.376 2.424 -6.755 1.00 0.00 C ATOM 759 O ASP X 49 75.137 1.229 -6.635 1.00 0.00 O ATOM 760 CB ASP X 49 77.597 1.790 -7.670 1.00 0.00 C ATOM 761 CG ASP X 49 78.858 2.207 -8.400 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.856 2.225 -9.640 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.874 2.512 -7.734 1.00 0.00 O ATOM 0 H ASP X 49 77.240 3.877 -5.934 1.00 0.00 H new ATOM 0 HA ASP X 49 76.232 3.142 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.863 1.468 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.165 0.927 -8.177 1.00 0.00 H new ATOM 768 N GLY X 50 74.692 3.401 -6.142 1.00 0.00 N ATOM 769 CA GLY X 50 73.536 3.163 -5.289 1.00 0.00 C ATOM 770 C GLY X 50 72.605 2.195 -5.851 1.00 0.00 C ATOM 771 O GLY X 50 72.426 1.105 -5.322 1.00 0.00 O ATOM 0 H GLY X 50 74.935 4.388 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.876 2.809 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.015 4.105 -5.121 1.00 0.00 H new ATOM 775 N THR X 51 72.133 2.502 -6.962 1.00 0.00 N ATOM 776 CA THR X 51 71.078 1.733 -7.514 1.00 0.00 C ATOM 777 C THR X 51 71.601 0.377 -8.007 1.00 0.00 C ATOM 778 O THR X 51 70.919 -0.646 -7.873 1.00 0.00 O ATOM 779 CB THR X 51 70.398 2.501 -8.617 1.00 0.00 C ATOM 780 OG1 THR X 51 70.661 3.908 -8.413 1.00 0.00 O ATOM 781 CG2 THR X 51 68.920 2.286 -8.509 1.00 0.00 C ATOM 0 H THR X 51 72.447 3.286 -7.534 1.00 0.00 H new ATOM 0 HA THR X 51 70.338 1.536 -6.738 1.00 0.00 H new ATOM 0 HB THR X 51 70.762 2.172 -9.590 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.228 4.428 -9.122 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.413 2.836 -9.302 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.699 1.223 -8.607 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.570 2.642 -7.540 1.00 0.00 H new ATOM 789 N ALA X 52 72.849 0.375 -8.471 1.00 0.00 N ATOM 790 CA ALA X 52 73.511 -0.826 -8.939 1.00 0.00 C ATOM 791 C ALA X 52 73.630 -1.828 -7.827 1.00 0.00 C ATOM 792 O ALA X 52 73.475 -3.006 -8.065 1.00 0.00 O ATOM 793 CB ALA X 52 74.865 -0.501 -9.544 1.00 0.00 C ATOM 0 H ALA X 52 73.426 1.214 -8.530 1.00 0.00 H new ATOM 0 HA ALA X 52 72.902 -1.271 -9.726 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.340 -1.420 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.733 0.176 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.495 -0.026 -8.792 1.00 0.00 H new ATOM 799 N LEU X 53 73.856 -1.349 -6.603 1.00 0.00 N ATOM 800 CA LEU X 53 73.911 -2.235 -5.444 1.00 0.00 C ATOM 801 C LEU X 53 72.619 -2.995 -5.241 1.00 0.00 C ATOM 802 O LEU X 53 72.639 -4.200 -5.020 1.00 0.00 O ATOM 803 CB LEU X 53 74.305 -1.517 -4.164 1.00 0.00 C ATOM 804 CG LEU X 53 75.728 -0.970 -4.114 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.043 -0.500 -2.726 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.746 -2.010 -4.567 1.00 0.00 C ATOM 0 H LEU X 53 74.002 -0.362 -6.391 1.00 0.00 H new ATOM 0 HA LEU X 53 74.699 -2.953 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.613 -0.689 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.172 -2.205 -3.329 1.00 0.00 H new ATOM 0 HG LEU X 53 75.791 -0.128 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.061 -0.110 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.345 0.287 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.953 -1.334 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.748 -1.584 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.690 -2.882 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.529 -2.309 -5.592 1.00 0.00 H new ATOM 818 N ILE X 54 71.493 -2.317 -5.332 1.00 0.00 N ATOM 819 CA ILE X 54 70.213 -3.031 -5.158 1.00 0.00 C ATOM 820 C ILE X 54 69.981 -3.995 -6.313 1.00 0.00 C ATOM 821 O ILE X 54 69.551 -5.142 -6.125 1.00 0.00 O ATOM 822 CB ILE X 54 68.996 -2.101 -4.953 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.201 -1.270 -3.691 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.699 -2.919 -4.840 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.141 -0.247 -3.470 1.00 0.00 C ATOM 0 H ILE X 54 71.420 -1.317 -5.517 1.00 0.00 H new ATOM 0 HA ILE X 54 70.304 -3.595 -4.230 1.00 0.00 H new ATOM 0 HB ILE X 54 68.908 -1.440 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE X 54 69.236 -1.937 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.169 -0.772 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.855 -2.245 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.551 -3.495 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.770 -3.598 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.353 0.305 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.120 0.443 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.173 -0.740 -3.380 1.00 0.00 H new ATOM 837 N TYR X 55 70.314 -3.532 -7.494 1.00 0.00 N ATOM 838 CA TYR X 55 70.214 -4.322 -8.695 1.00 0.00 C ATOM 839 C TYR X 55 71.065 -5.591 -8.621 1.00 0.00 C ATOM 840 O TYR X 55 70.585 -6.690 -8.940 1.00 0.00 O ATOM 841 CB TYR X 55 70.577 -3.486 -9.906 1.00 0.00 C ATOM 842 CG TYR X 55 69.421 -2.712 -10.504 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.599 -3.292 -11.458 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.155 -1.411 -10.123 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.547 -2.592 -12.010 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.111 -0.706 -10.666 1.00 0.00 C ATOM 847 CZ TYR X 55 67.307 -1.300 -11.609 1.00 0.00 C ATOM 848 OH TYR X 55 66.257 -0.588 -12.152 1.00 0.00 O ATOM 0 H TYR X 55 70.665 -2.587 -7.648 1.00 0.00 H new ATOM 0 HA TYR X 55 69.178 -4.646 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.361 -2.783 -9.625 1.00 0.00 H new ATOM 0 HB3 TYR X 55 70.994 -4.140 -10.671 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.786 -4.308 -11.774 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.783 -0.939 -9.382 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.916 -3.056 -12.753 1.00 0.00 H new ATOM 0 HE2 TYR X 55 67.922 0.311 -10.354 1.00 0.00 H new ATOM 0 HH TYR X 55 66.230 0.308 -11.756 1.00 0.00 H new ATOM 858 N GLU X 56 72.306 -5.458 -8.184 1.00 0.00 N ATOM 859 CA GLU X 56 73.159 -6.611 -8.017 1.00 0.00 C ATOM 860 C GLU X 56 72.669 -7.496 -6.897 1.00 0.00 C ATOM 861 O GLU X 56 72.754 -8.695 -7.002 1.00 0.00 O ATOM 862 CB GLU X 56 74.650 -6.283 -7.843 1.00 0.00 C ATOM 863 CG GLU X 56 74.966 -5.301 -6.748 1.00 0.00 C ATOM 864 CD GLU X 56 76.404 -5.322 -6.337 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.248 -4.790 -7.077 1.00 0.00 O ATOM 866 OE2 GLU X 56 76.727 -5.876 -5.267 1.00 0.00 O ATOM 0 H GLU X 56 72.739 -4.567 -7.941 1.00 0.00 H new ATOM 0 HA GLU X 56 73.089 -7.153 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.189 -7.210 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.031 -5.888 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.705 -4.297 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.343 -5.520 -5.881 1.00 0.00 H new ATOM 873 N ALA X 57 72.135 -6.896 -5.829 1.00 0.00 N ATOM 874 CA ALA X 57 71.621 -7.657 -4.687 1.00 0.00 C ATOM 875 C ALA X 57 70.547 -8.625 -5.128 1.00 0.00 C ATOM 876 O ALA X 57 70.519 -9.770 -4.675 1.00 0.00 O ATOM 877 CB ALA X 57 71.067 -6.737 -3.620 1.00 0.00 C ATOM 0 H ALA X 57 72.047 -5.884 -5.732 1.00 0.00 H new ATOM 0 HA ALA X 57 72.456 -8.217 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.693 -7.331 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA X 57 71.856 -6.072 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.253 -6.145 -4.037 1.00 0.00 H new ATOM 883 N ALA X 58 69.692 -8.170 -6.035 1.00 0.00 N ATOM 884 CA ALA X 58 68.647 -9.003 -6.592 1.00 0.00 C ATOM 885 C ALA X 58 69.254 -10.231 -7.271 1.00 0.00 C ATOM 886 O ALA X 58 68.856 -11.360 -6.996 1.00 0.00 O ATOM 887 CB ALA X 58 67.797 -8.209 -7.575 1.00 0.00 C ATOM 0 H ALA X 58 69.707 -7.218 -6.400 1.00 0.00 H new ATOM 0 HA ALA X 58 68.002 -9.341 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.017 -8.852 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.339 -7.364 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.426 -7.842 -8.386 1.00 0.00 H new ATOM 893 N ALA X 59 70.262 -10.005 -8.095 1.00 0.00 N ATOM 894 CA ALA X 59 70.936 -11.085 -8.815 1.00 0.00 C ATOM 895 C ALA X 59 71.737 -11.977 -7.859 1.00 0.00 C ATOM 896 O ALA X 59 71.717 -13.200 -7.978 1.00 0.00 O ATOM 897 CB ALA X 59 71.843 -10.516 -9.896 1.00 0.00 C ATOM 0 H ALA X 59 70.639 -9.077 -8.287 1.00 0.00 H new ATOM 0 HA ALA X 59 70.171 -11.702 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.337 -11.332 -10.423 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.248 -9.936 -10.602 1.00 0.00 H new ATOM 0 HB3 ALA X 59 72.594 -9.872 -9.439 1.00 0.00 H new ATOM 903 N ARG X 60 72.405 -11.353 -6.898 1.00 0.00 N ATOM 904 CA ARG X 60 73.229 -12.047 -5.902 1.00 0.00 C ATOM 905 C ARG X 60 72.387 -12.928 -4.984 1.00 0.00 C ATOM 906 O ARG X 60 72.852 -13.943 -4.512 1.00 0.00 O ATOM 907 CB ARG X 60 74.047 -11.039 -5.071 1.00 0.00 C ATOM 908 CG ARG X 60 75.128 -10.302 -5.862 1.00 0.00 C ATOM 909 CD ARG X 60 75.735 -9.137 -5.069 1.00 0.00 C ATOM 910 NE ARG X 60 76.343 -9.554 -3.795 1.00 0.00 N ATOM 911 CZ ARG X 60 76.919 -8.722 -2.903 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.052 -7.431 -3.166 1.00 0.00 N ATOM 913 NH2 ARG X 60 77.377 -9.194 -1.756 1.00 0.00 N ATOM 0 H ARG X 60 72.394 -10.340 -6.782 1.00 0.00 H new ATOM 0 HA ARG X 60 73.916 -12.695 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.366 -10.306 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.517 -11.567 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG X 60 75.917 -11.003 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.701 -9.924 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.491 -8.645 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG X 60 74.958 -8.399 -4.869 1.00 0.00 H new ATOM 0 HE ARG X 60 76.328 -10.549 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG X 60 76.717 -7.054 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG X 60 77.490 -6.814 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG X 60 77.295 -10.188 -1.545 1.00 0.00 H new ATOM 0 HH22 ARG X 60 77.812 -8.564 -1.083 1.00 0.00 H new ATOM 927 N ALA X 61 71.170 -12.510 -4.702 1.00 0.00 N ATOM 928 CA ALA X 61 70.266 -13.320 -3.886 1.00 0.00 C ATOM 929 C ALA X 61 69.624 -14.421 -4.724 1.00 0.00 C ATOM 930 O ALA X 61 69.305 -15.499 -4.222 1.00 0.00 O ATOM 931 CB ALA X 61 69.201 -12.452 -3.231 1.00 0.00 C ATOM 0 H ALA X 61 70.779 -11.623 -5.019 1.00 0.00 H new ATOM 0 HA ALA X 61 70.852 -13.789 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.541 -13.077 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.679 -11.710 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.619 -11.947 -4.002 1.00 0.00 H new ATOM 937 N ALA X 62 69.428 -14.136 -5.997 1.00 0.00 N ATOM 938 CA ALA X 62 68.828 -15.090 -6.911 1.00 0.00 C ATOM 939 C ALA X 62 69.800 -16.215 -7.214 1.00 0.00 C ATOM 940 O ALA X 62 69.444 -17.392 -7.165 1.00 0.00 O ATOM 941 CB ALA X 62 68.386 -14.398 -8.188 1.00 0.00 C ATOM 0 H ALA X 62 69.678 -13.244 -6.425 1.00 0.00 H new ATOM 0 HA ALA X 62 67.946 -15.520 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA X 62 67.938 -15.129 -8.862 1.00 0.00 H new ATOM 0 HB2 ALA X 62 67.653 -13.628 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.249 -13.940 -8.671 1.00 0.00 H new ATOM 947 N ALA X 63 71.015 -15.857 -7.511 1.00 0.00 N ATOM 948 CA ALA X 63 72.039 -16.820 -7.776 1.00 0.00 C ATOM 949 C ALA X 63 73.249 -16.512 -6.918 1.00 0.00 C ATOM 950 O ALA X 63 74.205 -15.867 -7.367 1.00 0.00 O ATOM 951 CB ALA X 63 72.392 -16.856 -9.258 1.00 0.00 C ATOM 0 H ALA X 63 71.323 -14.887 -7.576 1.00 0.00 H new ATOM 0 HA ALA X 63 71.673 -17.814 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA X 63 73.173 -17.597 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA X 63 71.507 -17.122 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA X 63 72.749 -15.875 -9.571 1.00 0.00 H new ATOM 957 N ASN X 64 73.145 -16.890 -5.665 1.00 0.00 N ATOM 958 CA ASN X 64 74.191 -16.682 -4.669 1.00 0.00 C ATOM 959 C ASN X 64 75.435 -17.520 -5.005 1.00 0.00 C ATOM 960 O ASN X 64 75.385 -18.749 -5.018 1.00 0.00 O ATOM 961 CB ASN X 64 73.620 -17.018 -3.274 1.00 0.00 C ATOM 962 CG ASN X 64 74.561 -16.780 -2.094 1.00 0.00 C ATOM 963 OD1 ASN X 64 75.781 -16.926 -2.178 1.00 0.00 O ATOM 964 ND2 ASN X 64 73.998 -16.370 -0.987 1.00 0.00 N ATOM 0 H ASN X 64 72.319 -17.360 -5.294 1.00 0.00 H new ATOM 0 HA ASN X 64 74.510 -15.640 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN X 64 72.718 -16.426 -3.120 1.00 0.00 H new ATOM 0 HB3 ASN X 64 73.319 -18.066 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN X 64 74.572 -16.164 -0.169 1.00 0.00 H new ATOM 0 HD22 ASN X 64 72.985 -16.257 -0.941 1.00 0.00 H new ATOM 971 N PRO X 65 76.568 -16.853 -5.295 1.00 0.00 N ATOM 972 CA PRO X 65 77.807 -17.523 -5.701 1.00 0.00 C ATOM 973 C PRO X 65 78.621 -18.121 -4.536 1.00 0.00 C ATOM 974 O PRO X 65 79.553 -18.898 -4.762 1.00 0.00 O ATOM 975 CB PRO X 65 78.592 -16.407 -6.385 1.00 0.00 C ATOM 976 CG PRO X 65 78.147 -15.155 -5.707 1.00 0.00 C ATOM 977 CD PRO X 65 76.718 -15.378 -5.285 1.00 0.00 C ATOM 0 HA PRO X 65 77.594 -18.386 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO X 65 79.666 -16.555 -6.276 1.00 0.00 H new ATOM 0 HB3 PRO X 65 78.382 -16.374 -7.454 1.00 0.00 H new ATOM 0 HG2 PRO X 65 78.776 -14.937 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO X 65 78.223 -14.302 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO X 65 76.525 -14.964 -4.296 1.00 0.00 H new ATOM 0 HD3 PRO X 65 76.020 -14.901 -5.972 1.00 0.00 H new ATOM 985 N GLY X 66 78.273 -17.781 -3.315 1.00 0.00 N ATOM 986 CA GLY X 66 79.001 -18.303 -2.182 1.00 0.00 C ATOM 987 C GLY X 66 79.580 -17.220 -1.340 1.00 0.00 C ATOM 988 O GLY X 66 79.343 -16.029 -1.604 1.00 0.00 O ATOM 0 H GLY X 66 77.502 -17.155 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY X 66 78.335 -18.916 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY X 66 79.801 -18.954 -2.535 1.00 0.00 H new ATOM 992 N GLY X 67 80.338 -17.602 -0.343 1.00 0.00 N ATOM 993 CA GLY X 67 80.955 -16.644 0.521 1.00 0.00 C ATOM 994 C GLY X 67 80.010 -16.219 1.616 1.00 0.00 C ATOM 995 O GLY X 67 80.078 -16.722 2.739 1.00 0.00 O ATOM 0 H GLY X 67 80.539 -18.575 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY X 67 81.857 -17.071 0.959 1.00 0.00 H new ATOM 0 HA3 GLY X 67 81.263 -15.773 -0.057 1.00 0.00 H new ATOM 999 N ASP X 68 79.129 -15.319 1.276 1.00 0.00 N ATOM 1000 CA ASP X 68 78.081 -14.846 2.173 1.00 0.00 C ATOM 1001 C ASP X 68 76.839 -14.650 1.332 1.00 0.00 C ATOM 1002 O ASP X 68 75.722 -15.009 1.718 1.00 0.00 O ATOM 1003 CB ASP X 68 78.484 -13.526 2.872 1.00 0.00 C ATOM 1004 CG ASP X 68 77.489 -13.083 3.940 1.00 0.00 C ATOM 1005 OD1 ASP X 68 77.488 -13.673 5.056 1.00 0.00 O ATOM 1006 OD2 ASP X 68 76.706 -12.135 3.709 1.00 0.00 O ATOM 0 H ASP X 68 79.109 -14.879 0.356 1.00 0.00 H new ATOM 0 HA ASP X 68 77.907 -15.573 2.967 1.00 0.00 H new ATOM 0 HB2 ASP X 68 79.466 -13.649 3.329 1.00 0.00 H new ATOM 0 HB3 ASP X 68 78.577 -12.740 2.123 1.00 0.00 H new ATOM 1011 N GLY X 69 77.051 -14.108 0.153 1.00 0.00 N ATOM 1012 CA GLY X 69 76.001 -13.964 -0.800 1.00 0.00 C ATOM 1013 C GLY X 69 75.563 -12.555 -0.953 1.00 0.00 C ATOM 1014 O GLY X 69 76.388 -11.635 -0.898 1.00 0.00 O ATOM 0 H GLY X 69 77.957 -13.759 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY X 69 76.336 -14.344 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY X 69 75.151 -14.574 -0.495 1.00 0.00 H new ATOM 1018 N GLY X 70 74.285 -12.371 -1.123 1.00 0.00 N ATOM 1019 CA GLY X 70 73.747 -11.071 -1.290 1.00 0.00 C ATOM 1020 C GLY X 70 72.311 -11.031 -0.875 1.00 0.00 C ATOM 1021 O GLY X 70 71.675 -12.081 -0.733 1.00 0.00 O ATOM 0 H GLY X 70 73.596 -13.123 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY X 70 74.321 -10.357 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.837 -10.767 -2.333 1.00 0.00 H new ATOM 1025 N GLY X 71 71.814 -9.850 -0.671 1.00 0.00 N ATOM 1026 CA GLY X 71 70.485 -9.643 -0.270 1.00 0.00 C ATOM 1027 C GLY X 71 70.406 -8.294 0.366 1.00 0.00 C ATOM 1028 O GLY X 71 71.440 -7.600 0.429 1.00 0.00 O ATOM 0 H GLY X 71 72.349 -8.989 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.814 -9.701 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.173 -10.416 0.433 1.00 0.00 H new ATOM 1032 N PRO X 72 69.245 -7.909 0.873 1.00 0.00 N ATOM 1033 CA PRO X 72 69.012 -6.590 1.462 1.00 0.00 C ATOM 1034 C PRO X 72 69.948 -6.301 2.624 1.00 0.00 C ATOM 1035 O PRO X 72 70.533 -5.254 2.707 1.00 0.00 O ATOM 1036 CB PRO X 72 67.572 -6.644 1.969 1.00 0.00 C ATOM 1037 CG PRO X 72 67.157 -8.075 1.881 1.00 0.00 C ATOM 1038 CD PRO X 72 68.060 -8.747 0.896 1.00 0.00 C ATOM 0 HA PRO X 72 69.189 -5.802 0.730 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.506 -6.281 2.995 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.922 -6.012 1.365 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.229 -8.555 2.857 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.117 -8.154 1.563 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.298 -9.765 1.203 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.598 -8.811 -0.089 1.00 0.00 H new ATOM 1046 N GLU X 73 70.130 -7.279 3.461 1.00 0.00 N ATOM 1047 CA GLU X 73 70.934 -7.171 4.668 1.00 0.00 C ATOM 1048 C GLU X 73 72.405 -7.434 4.364 1.00 0.00 C ATOM 1049 O GLU X 73 73.250 -7.441 5.261 1.00 0.00 O ATOM 1050 CB GLU X 73 70.370 -8.112 5.728 1.00 0.00 C ATOM 1051 CG GLU X 73 68.904 -7.821 5.996 1.00 0.00 C ATOM 1052 CD GLU X 73 68.222 -8.797 6.897 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.531 -8.858 8.093 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.298 -9.487 6.419 1.00 0.00 O ATOM 0 H GLU X 73 69.718 -8.203 3.330 1.00 0.00 H new ATOM 0 HA GLU X 73 70.885 -6.156 5.061 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.484 -9.145 5.399 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.939 -8.007 6.652 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.821 -6.826 6.433 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.374 -7.796 5.044 1.00 0.00 H new ATOM 1061 N GLY X 74 72.709 -7.667 3.113 1.00 0.00 N ATOM 1062 CA GLY X 74 74.084 -7.785 2.738 1.00 0.00 C ATOM 1063 C GLY X 74 74.581 -6.598 1.945 1.00 0.00 C ATOM 1064 O GLY X 74 75.761 -6.259 2.014 1.00 0.00 O ATOM 0 H GLY X 74 72.035 -7.776 2.355 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.692 -7.896 3.636 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.218 -8.692 2.148 1.00 0.00 H new ATOM 1068 N ILE X 75 73.702 -5.951 1.193 1.00 0.00 N ATOM 1069 CA ILE X 75 74.081 -4.705 0.501 1.00 0.00 C ATOM 1070 C ILE X 75 74.284 -3.598 1.479 1.00 0.00 C ATOM 1071 O ILE X 75 75.063 -2.690 1.237 1.00 0.00 O ATOM 1072 CB ILE X 75 73.073 -4.227 -0.542 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.654 -4.609 -0.131 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.454 -4.716 -1.911 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.559 -3.971 -0.922 1.00 0.00 C ATOM 0 H ILE X 75 72.739 -6.251 1.042 1.00 0.00 H new ATOM 0 HA ILE X 75 75.004 -4.954 -0.022 1.00 0.00 H new ATOM 0 HB ILE X 75 73.093 -3.138 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.551 -5.691 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.517 -4.351 0.919 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.723 -4.365 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.440 -4.333 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.475 -5.806 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.594 -4.311 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.624 -2.887 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.659 -4.249 -1.971 1.00 0.00 H new ATOM 1087 N VAL X 76 73.584 -3.679 2.591 1.00 0.00 N ATOM 1088 CA VAL X 76 73.700 -2.741 3.629 1.00 0.00 C ATOM 1089 C VAL X 76 75.129 -2.699 4.164 1.00 0.00 C ATOM 1090 O VAL X 76 75.659 -1.650 4.503 1.00 0.00 O ATOM 1091 CB VAL X 76 72.701 -3.054 4.727 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.306 -2.890 4.266 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.892 -4.396 5.358 1.00 0.00 C ATOM 0 H VAL X 76 72.912 -4.423 2.779 1.00 0.00 H new ATOM 0 HA VAL X 76 73.472 -1.750 3.237 1.00 0.00 H new ATOM 0 HB VAL X 76 72.901 -2.318 5.506 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.623 -3.124 5.083 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.148 -1.861 3.944 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.117 -3.564 3.431 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.140 -4.544 6.133 1.00 0.00 H new ATOM 0 HG22 VAL X 76 72.790 -5.172 4.600 1.00 0.00 H new ATOM 0 HG23 VAL X 76 73.886 -4.451 5.802 1.00 0.00 H new ATOM 1103 N LYS X 77 75.726 -3.849 4.184 1.00 0.00 N ATOM 1104 CA LYS X 77 77.115 -4.035 4.536 1.00 0.00 C ATOM 1105 C LYS X 77 78.017 -3.299 3.544 1.00 0.00 C ATOM 1106 O LYS X 77 78.872 -2.534 3.953 1.00 0.00 O ATOM 1107 CB LYS X 77 77.417 -5.533 4.560 1.00 0.00 C ATOM 1108 CG LYS X 77 78.883 -5.928 4.536 1.00 0.00 C ATOM 1109 CD LYS X 77 79.019 -7.445 4.576 1.00 0.00 C ATOM 1110 CE LYS X 77 80.345 -7.936 4.000 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.528 -7.298 4.610 1.00 0.00 N ATOM 0 H LYS X 77 75.251 -4.720 3.949 1.00 0.00 H new ATOM 0 HA LYS X 77 77.311 -3.618 5.524 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.963 -5.958 5.455 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.925 -5.994 3.704 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.358 -5.536 3.637 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.400 -5.486 5.388 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.928 -7.786 5.607 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.197 -7.894 4.018 1.00 0.00 H new ATOM 0 HE2 LYS X 77 80.414 -9.015 4.137 1.00 0.00 H new ATOM 0 HE3 LYS X 77 80.356 -7.750 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.325 -7.967 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 81.784 -6.450 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 81.310 -7.028 5.590 1.00 0.00 H new ATOM 1125 N GLU X 78 77.773 -3.502 2.249 1.00 0.00 N ATOM 1126 CA GLU X 78 78.545 -2.841 1.191 1.00 0.00 C ATOM 1127 C GLU X 78 78.420 -1.318 1.371 1.00 0.00 C ATOM 1128 O GLU X 78 79.393 -0.569 1.279 1.00 0.00 O ATOM 1129 CB GLU X 78 77.997 -3.260 -0.191 1.00 0.00 C ATOM 1130 CG GLU X 78 78.838 -2.802 -1.365 1.00 0.00 C ATOM 1131 CD GLU X 78 80.161 -3.523 -1.480 1.00 0.00 C ATOM 1132 OE1 GLU X 78 81.172 -3.061 -0.919 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.222 -4.557 -2.193 1.00 0.00 O ATOM 0 H GLU X 78 77.042 -4.123 1.904 1.00 0.00 H new ATOM 0 HA GLU X 78 79.593 -3.133 1.253 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.915 -4.346 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.989 -2.861 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.273 -2.949 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.024 -1.732 -1.272 1.00 0.00 H new ATOM 1140 N ILE X 79 77.209 -0.901 1.693 1.00 0.00 N ATOM 1141 CA ILE X 79 76.894 0.480 1.949 1.00 0.00 C ATOM 1142 C ILE X 79 77.657 1.032 3.174 1.00 0.00 C ATOM 1143 O ILE X 79 78.224 2.141 3.128 1.00 0.00 O ATOM 1144 CB ILE X 79 75.353 0.663 2.159 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.582 0.491 0.843 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.010 1.990 2.815 1.00 0.00 C ATOM 1147 CD1 ILE X 79 74.929 1.524 -0.213 1.00 0.00 C ATOM 0 H ILE X 79 76.409 -1.527 1.784 1.00 0.00 H new ATOM 0 HA ILE X 79 77.211 1.047 1.074 1.00 0.00 H new ATOM 0 HB ILE X 79 75.040 -0.125 2.844 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.782 -0.503 0.444 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.513 0.543 1.050 1.00 0.00 H new ATOM 0 HG21 ILE X 79 73.930 2.067 2.938 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.491 2.048 3.791 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.363 2.808 2.187 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.343 1.335 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.703 2.521 0.165 1.00 0.00 H new ATOM 0 HD13 ILE X 79 75.991 1.459 -0.451 1.00 0.00 H new ATOM 1159 N LYS X 80 77.675 0.278 4.257 1.00 0.00 N ATOM 1160 CA LYS X 80 78.297 0.752 5.473 1.00 0.00 C ATOM 1161 C LYS X 80 79.804 0.783 5.363 1.00 0.00 C ATOM 1162 O LYS X 80 80.435 1.748 5.781 1.00 0.00 O ATOM 1163 CB LYS X 80 77.789 0.010 6.732 1.00 0.00 C ATOM 1164 CG LYS X 80 78.170 -1.437 6.923 1.00 0.00 C ATOM 1165 CD LYS X 80 77.467 -1.952 8.184 1.00 0.00 C ATOM 1166 CE LYS X 80 77.633 -3.441 8.408 1.00 0.00 C ATOM 1167 NZ LYS X 80 76.908 -3.880 9.622 1.00 0.00 N ATOM 0 H LYS X 80 77.270 -0.656 4.317 1.00 0.00 H new ATOM 0 HA LYS X 80 77.983 1.787 5.605 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.139 0.562 7.605 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.701 0.068 6.733 1.00 0.00 H new ATOM 0 HG2 LYS X 80 77.874 -2.026 6.055 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.251 -1.536 7.022 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.856 -1.417 9.050 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.404 -1.720 8.117 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.261 -3.986 7.541 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.692 -3.682 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 76.671 -4.889 9.539 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 77.509 -3.733 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 76.033 -3.327 9.723 1.00 0.00 H new ATOM 1181 N GLU X 81 80.363 -0.214 4.709 1.00 0.00 N ATOM 1182 CA GLU X 81 81.797 -0.303 4.568 1.00 0.00 C ATOM 1183 C GLU X 81 82.345 0.783 3.649 1.00 0.00 C ATOM 1184 O GLU X 81 83.464 1.274 3.855 1.00 0.00 O ATOM 1185 CB GLU X 81 82.221 -1.679 4.098 1.00 0.00 C ATOM 1186 CG GLU X 81 81.781 -2.790 5.022 1.00 0.00 C ATOM 1187 CD GLU X 81 82.316 -4.126 4.617 1.00 0.00 C ATOM 1188 OE1 GLU X 81 81.798 -4.741 3.666 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.263 -4.613 5.268 1.00 0.00 O ATOM 0 H GLU X 81 79.844 -0.973 4.267 1.00 0.00 H new ATOM 0 HA GLU X 81 82.226 -0.140 5.557 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.810 -1.858 3.105 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.307 -1.704 4.003 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.110 -2.564 6.036 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.692 -2.830 5.041 1.00 0.00 H new ATOM 1196 N TRP X 82 81.556 1.172 2.657 1.00 0.00 N ATOM 1197 CA TRP X 82 81.953 2.218 1.730 1.00 0.00 C ATOM 1198 C TRP X 82 82.063 3.556 2.459 1.00 0.00 C ATOM 1199 O TRP X 82 83.055 4.286 2.298 1.00 0.00 O ATOM 1200 CB TRP X 82 80.961 2.327 0.582 1.00 0.00 C ATOM 1201 CG TRP X 82 81.413 3.228 -0.529 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.247 2.892 -1.549 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.042 4.602 -0.752 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.414 3.954 -2.393 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.691 5.016 -1.930 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.230 5.515 -0.071 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.545 6.298 -2.450 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.091 6.789 -0.586 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.743 7.169 -1.765 1.00 0.00 C ATOM 0 H TRP X 82 80.634 0.776 2.475 1.00 0.00 H new ATOM 0 HA TRP X 82 82.928 1.958 1.318 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.778 1.332 0.177 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.010 2.693 0.970 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.711 1.925 -1.674 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.988 3.953 -3.236 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.722 5.230 0.839 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.046 6.594 -3.360 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.468 7.505 -0.070 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.610 8.172 -2.142 1.00 0.00 H new ATOM 1220 N ARG X 83 81.060 3.876 3.281 1.00 0.00 N ATOM 1221 CA ARG X 83 81.118 5.105 4.059 1.00 0.00 C ATOM 1222 C ARG X 83 82.225 5.054 5.080 1.00 0.00 C ATOM 1223 O ARG X 83 82.947 6.041 5.267 1.00 0.00 O ATOM 1224 CB ARG X 83 79.800 5.493 4.746 1.00 0.00 C ATOM 1225 CG ARG X 83 78.820 6.296 3.893 1.00 0.00 C ATOM 1226 CD ARG X 83 77.870 5.439 3.082 1.00 0.00 C ATOM 1227 NE ARG X 83 77.056 4.621 3.948 1.00 0.00 N ATOM 1228 CZ ARG X 83 75.946 5.040 4.522 1.00 0.00 C ATOM 1229 NH1 ARG X 83 75.459 6.259 4.215 1.00 0.00 N ATOM 1230 NH2 ARG X 83 75.312 4.241 5.390 1.00 0.00 N ATOM 0 H ARG X 83 80.220 3.314 3.420 1.00 0.00 H new ATOM 0 HA ARG X 83 81.321 5.884 3.324 1.00 0.00 H new ATOM 0 HB2 ARG X 83 79.302 4.582 5.078 1.00 0.00 H new ATOM 0 HB3 ARG X 83 80.034 6.072 5.640 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.239 6.951 4.543 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.384 6.938 3.216 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.232 6.075 2.469 1.00 0.00 H new ATOM 0 HD3 ARG X 83 78.436 4.804 2.401 1.00 0.00 H new ATOM 0 HE ARG X 83 77.357 3.663 4.126 1.00 0.00 H new ATOM 0 HH11 ARG X 83 75.949 6.850 3.543 1.00 0.00 H new ATOM 0 HH12 ARG X 83 74.601 6.591 4.655 1.00 0.00 H new ATOM 0 HH21 ARG X 83 75.689 3.317 5.602 1.00 0.00 H new ATOM 0 HH22 ARG X 83 74.452 4.556 5.839 1.00 0.00 H new ATOM 1244 N ALA X 84 82.389 3.898 5.693 1.00 0.00 N ATOM 1245 CA ALA X 84 83.395 3.682 6.717 1.00 0.00 C ATOM 1246 C ALA X 84 84.803 3.893 6.177 1.00 0.00 C ATOM 1247 O ALA X 84 85.664 4.443 6.872 1.00 0.00 O ATOM 1248 CB ALA X 84 83.261 2.286 7.281 1.00 0.00 C ATOM 0 H ALA X 84 81.823 3.074 5.493 1.00 0.00 H new ATOM 0 HA ALA X 84 83.230 4.414 7.508 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.019 2.130 8.049 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.270 2.164 7.718 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.398 1.556 6.483 1.00 0.00 H new ATOM 1254 N ALA X 85 85.028 3.464 4.945 1.00 0.00 N ATOM 1255 CA ALA X 85 86.327 3.599 4.298 1.00 0.00 C ATOM 1256 C ALA X 85 86.721 5.057 4.122 1.00 0.00 C ATOM 1257 O ALA X 85 87.887 5.419 4.286 1.00 0.00 O ATOM 1258 CB ALA X 85 86.335 2.884 2.960 1.00 0.00 C ATOM 0 H ALA X 85 84.319 3.014 4.366 1.00 0.00 H new ATOM 0 HA ALA X 85 87.066 3.134 4.951 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.313 2.997 2.493 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.125 1.825 3.112 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.572 3.316 2.312 1.00 0.00 H new ATOM 1264 N ASN X 86 85.760 5.900 3.804 1.00 0.00 N ATOM 1265 CA ASN X 86 86.067 7.315 3.613 1.00 0.00 C ATOM 1266 C ASN X 86 86.025 8.062 4.938 1.00 0.00 C ATOM 1267 O ASN X 86 86.867 8.899 5.215 1.00 0.00 O ATOM 1268 CB ASN X 86 85.103 7.995 2.626 1.00 0.00 C ATOM 1269 CG ASN X 86 85.535 9.429 2.301 1.00 0.00 C ATOM 1270 OD1 ASN X 86 86.720 9.753 2.310 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.600 10.277 1.992 1.00 0.00 N ATOM 0 H ASN X 86 84.781 5.646 3.673 1.00 0.00 H new ATOM 0 HA ASN X 86 87.073 7.357 3.194 1.00 0.00 H new ATOM 0 HB2 ASN X 86 85.055 7.413 1.706 1.00 0.00 H new ATOM 0 HB3 ASN X 86 84.098 8.006 3.049 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.843 11.238 1.749 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.624 9.982 1.992 1.00 0.00 H new ATOM 1278 N GLY X 87 85.069 7.727 5.753 1.00 0.00 N ATOM 1279 CA GLY X 87 84.869 8.440 6.987 1.00 0.00 C ATOM 1280 C GLY X 87 83.576 9.207 6.938 1.00 0.00 C ATOM 1281 O GLY X 87 83.427 10.250 7.559 1.00 0.00 O ATOM 0 H GLY X 87 84.413 6.964 5.588 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.854 7.740 7.822 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.700 9.124 7.160 1.00 0.00 H new ATOM 1285 N LYS X 88 82.651 8.685 6.173 1.00 0.00 N ATOM 1286 CA LYS X 88 81.362 9.235 5.997 1.00 0.00 C ATOM 1287 C LYS X 88 80.408 8.582 6.996 1.00 0.00 C ATOM 1288 O LYS X 88 80.690 7.476 7.470 1.00 0.00 O ATOM 1289 CB LYS X 88 80.912 8.911 4.593 1.00 0.00 C ATOM 1290 CG LYS X 88 81.427 9.808 3.491 1.00 0.00 C ATOM 1291 CD LYS X 88 80.954 9.293 2.135 1.00 0.00 C ATOM 1292 CE LYS X 88 81.165 10.305 1.018 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.399 11.551 1.252 1.00 0.00 N ATOM 0 H LYS X 88 82.798 7.828 5.640 1.00 0.00 H new ATOM 0 HA LYS X 88 81.372 10.313 6.156 1.00 0.00 H new ATOM 0 HB2 LYS X 88 81.212 7.888 4.367 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.823 8.936 4.571 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.073 10.827 3.646 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.516 9.841 3.517 1.00 0.00 H new ATOM 0 HD2 LYS X 88 81.488 8.374 1.893 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.896 9.040 2.196 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.226 10.541 0.937 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.862 9.866 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.316 12.080 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.449 11.314 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.893 12.135 1.956 1.00 0.00 H new ATOM 1307 N PRO X 89 79.294 9.246 7.348 1.00 0.00 N ATOM 1308 CA PRO X 89 78.301 8.688 8.270 1.00 0.00 C ATOM 1309 C PRO X 89 77.626 7.430 7.729 1.00 0.00 C ATOM 1310 O PRO X 89 77.148 7.398 6.582 1.00 0.00 O ATOM 1311 CB PRO X 89 77.277 9.818 8.453 1.00 0.00 C ATOM 1312 CG PRO X 89 77.989 11.044 8.010 1.00 0.00 C ATOM 1313 CD PRO X 89 78.913 10.602 6.918 1.00 0.00 C ATOM 0 HA PRO X 89 78.767 8.372 9.203 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.382 9.642 7.857 1.00 0.00 H new ATOM 0 HB3 PRO X 89 76.957 9.899 9.492 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.287 11.796 7.649 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.543 11.495 8.834 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.418 10.595 5.947 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.779 11.258 6.830 1.00 0.00 H new ATOM 1321 N GLY X 90 77.613 6.403 8.550 1.00 0.00 N ATOM 1322 CA GLY X 90 76.990 5.165 8.197 1.00 0.00 C ATOM 1323 C GLY X 90 75.628 5.053 8.819 1.00 0.00 C ATOM 1324 O GLY X 90 74.847 6.004 8.773 1.00 0.00 O ATOM 0 H GLY X 90 78.036 6.411 9.478 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.906 5.092 7.113 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.613 4.333 8.525 1.00 0.00 H new ATOM 1328 N PHE X 91 75.342 3.927 9.424 1.00 0.00 N ATOM 1329 CA PHE X 91 74.038 3.711 10.022 1.00 0.00 C ATOM 1330 C PHE X 91 74.090 4.028 11.490 1.00 0.00 C ATOM 1331 O PHE X 91 75.164 3.927 12.125 1.00 0.00 O ATOM 1332 CB PHE X 91 73.571 2.260 9.856 1.00 0.00 C ATOM 1333 CG PHE X 91 73.545 1.776 8.446 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.760 2.397 7.506 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.301 0.686 8.066 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.738 1.942 6.215 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.276 0.227 6.777 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.497 0.855 5.851 1.00 0.00 C ATOM 0 H PHE X 91 75.989 3.144 9.518 1.00 0.00 H new ATOM 0 HA PHE X 91 73.334 4.368 9.511 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.227 1.612 10.437 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.571 2.163 10.279 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.157 3.248 7.786 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.921 0.188 8.796 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.122 2.439 5.480 1.00 0.00 H new ATOM 0 HE2 PHE X 91 74.871 -0.629 6.495 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.476 0.499 4.832 1.00 0.00 H new ATOM 1348 N LYS X 92 72.972 4.413 12.034 1.00 0.00 N ATOM 1349 CA LYS X 92 72.877 4.648 13.405 1.00 0.00 C ATOM 1350 C LYS X 92 72.503 3.356 14.089 1.00 0.00 C ATOM 1351 O LYS X 92 72.134 2.367 13.443 1.00 0.00 O ATOM 1352 CB LYS X 92 71.825 5.690 13.706 1.00 0.00 C ATOM 1353 CG LYS X 92 70.386 5.266 13.459 1.00 0.00 C ATOM 1354 CD LYS X 92 69.406 6.222 14.133 1.00 0.00 C ATOM 1355 CE LYS X 92 69.449 6.097 15.653 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.578 7.079 16.314 1.00 0.00 N ATOM 0 H LYS X 92 72.107 4.568 11.516 1.00 0.00 H new ATOM 0 HA LYS X 92 73.837 5.015 13.768 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.923 5.987 14.750 1.00 0.00 H new ATOM 0 HB3 LYS X 92 72.032 6.574 13.103 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.191 5.238 12.387 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.232 4.256 13.838 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.642 7.247 13.846 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.396 6.016 13.780 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.145 5.091 15.942 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.474 6.232 15.998 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.638 6.958 17.345 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.883 8.040 16.060 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.595 6.935 16.005 1.00 0.00 H new ATOM 1370 N GLN X 93 72.580 3.359 15.365 1.00 0.00 N ATOM 1371 CA GLN X 93 72.258 2.222 16.126 1.00 0.00 C ATOM 1372 C GLN X 93 70.884 2.374 16.712 1.00 0.00 C ATOM 1373 O GLN X 93 70.509 3.448 17.203 1.00 0.00 O ATOM 1374 CB GLN X 93 73.281 2.025 17.199 1.00 0.00 C ATOM 1375 CG GLN X 93 74.593 1.330 16.766 1.00 0.00 C ATOM 1376 CD GLN X 93 75.395 2.078 15.710 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.233 2.919 16.034 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.181 1.755 14.462 1.00 0.00 N ATOM 0 H GLN X 93 72.873 4.166 15.916 1.00 0.00 H new ATOM 0 HA GLN X 93 72.260 1.341 15.485 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.531 3.000 17.618 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.830 1.439 18.000 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.220 1.189 17.646 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.353 0.338 16.384 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.478 1.053 14.230 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.717 2.205 13.720 1.00 0.00 H new ATOM 1387 N GLY X 94 70.148 1.338 16.632 1.00 0.00 N ATOM 1388 CA GLY X 94 68.810 1.314 17.088 1.00 0.00 C ATOM 1389 C GLY X 94 68.201 0.010 16.722 1.00 0.00 C ATOM 1390 O GLY X 94 67.221 -0.407 17.346 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.742 -0.658 15.813 1.00 0.00 O ATOM 0 H GLY X 94 70.465 0.453 16.236 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.777 1.455 18.168 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.245 2.132 16.642 1.00 0.00 H new TER 1395 GLY X 94