USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 Single : A 15 SER OG : rot 10:sc= 0.0643 USER MOD Single : A 17 TYR OH : rot 165:sc= -1.95! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 158:sc= 0.528 USER MOD Single : A 29 SER OG : rot 41:sc= 0.307 USER MOD Single : A 30 SER OG : rot 39:sc= 0.756 USER MOD Single : A 35 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.57) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 52 SER OG : rot -10:sc= 0.827 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 30:sc= 0.248 USER MOD Single : A 61 CYS SG : rot 180:sc= -6.93! USER MOD Single : A 65 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.54) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 169:sc= 0.175 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -130:sc= -1.14 (180deg=-4.61!) USER MOD Single : A 76 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.9!) USER MOD Single : A 77 TYR OH : rot -19:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00498) USER MOD Single : A 83 TYR OH : rot -34:sc= -0.928 USER MOD Single : A 87 GLN : amide:sc=-0.00272 X(o=-0.0027,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -1.97 K(o=-2,f=-2.6!) USER MOD Single : A 92 SER OG : rot -3:sc= 1.52 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -90:sc= -0.419 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 6.966 -17.467 1.431 1.00 0.00 N ATOM 84 CA ASP A 10 6.179 -17.563 2.655 1.00 0.00 C ATOM 85 C ASP A 10 5.517 -16.229 2.982 1.00 0.00 C ATOM 86 O ASP A 10 6.108 -15.352 3.613 1.00 0.00 O ATOM 87 CB ASP A 10 7.063 -18.007 3.822 1.00 0.00 C ATOM 88 CG ASP A 10 8.183 -18.930 3.381 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.930 -20.145 3.240 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.311 -18.437 3.177 1.00 0.00 O ATOM 0 HA ASP A 10 5.398 -18.307 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.489 -17.128 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.449 -18.515 4.566 1.00 0.00 H new ATOM 95 N PRO A 11 4.260 -16.068 2.542 1.00 0.00 N ATOM 96 CA PRO A 11 3.491 -14.842 2.776 1.00 0.00 C ATOM 97 C PRO A 11 3.104 -14.671 4.241 1.00 0.00 C ATOM 98 O PRO A 11 2.891 -13.553 4.710 1.00 0.00 O ATOM 99 CB PRO A 11 2.242 -15.037 1.912 1.00 0.00 C ATOM 100 CG PRO A 11 2.096 -16.515 1.786 1.00 0.00 C ATOM 101 CD PRO A 11 3.493 -17.070 1.783 1.00 0.00 C ATOM 0 HA PRO A 11 4.063 -13.948 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.364 -14.591 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.358 -14.566 0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.516 -16.922 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.569 -16.778 0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.536 -18.051 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.877 -17.187 0.770 1.00 0.00 H new ATOM 109 N GLY A 12 3.016 -15.786 4.959 1.00 0.00 N ATOM 110 CA GLY A 12 2.655 -15.736 6.364 1.00 0.00 C ATOM 111 C GLY A 12 3.658 -14.959 7.193 1.00 0.00 C ATOM 112 O GLY A 12 3.316 -14.415 8.244 1.00 0.00 O ATOM 0 H GLY A 12 3.188 -16.723 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.671 -15.278 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.577 -16.752 6.752 1.00 0.00 H new ATOM 116 N LEU A 13 4.898 -14.907 6.722 1.00 0.00 N ATOM 117 CA LEU A 13 5.956 -14.191 7.428 1.00 0.00 C ATOM 118 C LEU A 13 6.138 -12.788 6.858 1.00 0.00 C ATOM 119 O LEU A 13 7.162 -12.142 7.084 1.00 0.00 O ATOM 120 CB LEU A 13 7.271 -14.965 7.337 1.00 0.00 C ATOM 121 CG LEU A 13 7.190 -16.464 7.631 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.578 -17.085 7.625 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.498 -16.710 8.964 1.00 0.00 C ATOM 0 H LEU A 13 5.197 -15.352 5.854 1.00 0.00 H new ATOM 0 HA LEU A 13 5.665 -14.103 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.678 -14.833 6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.982 -14.517 8.031 1.00 0.00 H new ATOM 0 HG LEU A 13 6.600 -16.937 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.500 -18.152 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.037 -16.941 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.193 -16.608 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.449 -17.782 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.060 -16.223 9.761 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.488 -16.301 8.931 1.00 0.00 H new ATOM 135 N VAL A 14 5.137 -12.320 6.118 1.00 0.00 N ATOM 136 CA VAL A 14 5.185 -10.992 5.518 1.00 0.00 C ATOM 137 C VAL A 14 4.064 -10.108 6.052 1.00 0.00 C ATOM 138 O VAL A 14 2.898 -10.501 6.057 1.00 0.00 O ATOM 139 CB VAL A 14 5.081 -11.066 3.983 1.00 0.00 C ATOM 140 CG1 VAL A 14 5.036 -9.669 3.384 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.240 -11.865 3.408 1.00 0.00 C ATOM 0 H VAL A 14 4.283 -12.841 5.920 1.00 0.00 H new ATOM 0 HA VAL A 14 6.147 -10.556 5.788 1.00 0.00 H new ATOM 0 HB VAL A 14 4.154 -11.577 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.963 -9.741 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.169 -9.135 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.944 -9.129 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.150 -11.907 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.181 -11.385 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.221 -12.877 3.813 1.00 0.00 H new ATOM 151 N SER A 15 4.425 -8.909 6.499 1.00 0.00 N ATOM 152 CA SER A 15 3.450 -7.968 7.038 1.00 0.00 C ATOM 153 C SER A 15 3.822 -6.534 6.677 1.00 0.00 C ATOM 154 O SER A 15 4.978 -6.238 6.376 1.00 0.00 O ATOM 155 CB SER A 15 3.354 -8.115 8.558 1.00 0.00 C ATOM 156 OG SER A 15 2.624 -9.277 8.913 1.00 0.00 O ATOM 0 H SER A 15 5.386 -8.566 6.498 1.00 0.00 H new ATOM 0 HA SER A 15 2.480 -8.195 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.355 -8.166 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.871 -7.235 8.982 1.00 0.00 H new ATOM 0 HG SER A 15 2.475 -9.826 8.115 1.00 0.00 H new ATOM 162 N ALA A 16 2.833 -5.647 6.708 1.00 0.00 N ATOM 163 CA ALA A 16 3.055 -4.243 6.386 1.00 0.00 C ATOM 164 C ALA A 16 2.649 -3.342 7.548 1.00 0.00 C ATOM 165 O ALA A 16 1.656 -3.601 8.229 1.00 0.00 O ATOM 166 CB ALA A 16 2.289 -3.862 5.128 1.00 0.00 C ATOM 0 H ALA A 16 1.870 -5.876 6.953 1.00 0.00 H new ATOM 0 HA ALA A 16 4.121 -4.102 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.464 -2.811 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.630 -4.476 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.223 -4.026 5.287 1.00 0.00 H new ATOM 172 N TYR A 17 3.422 -2.285 7.769 1.00 0.00 N ATOM 173 CA TYR A 17 3.144 -1.348 8.851 1.00 0.00 C ATOM 174 C TYR A 17 3.250 0.094 8.363 1.00 0.00 C ATOM 175 O TYR A 17 4.137 0.433 7.580 1.00 0.00 O ATOM 176 CB TYR A 17 4.111 -1.577 10.013 1.00 0.00 C ATOM 177 CG TYR A 17 5.566 -1.425 9.630 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.176 -0.177 9.623 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.330 -2.530 9.275 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.504 -0.033 9.273 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.659 -2.396 8.925 1.00 0.00 C ATOM 182 CZ TYR A 17 8.242 -1.146 8.925 1.00 0.00 C ATOM 183 OH TYR A 17 9.566 -1.008 8.576 1.00 0.00 O ATOM 0 H TYR A 17 4.246 -2.055 7.213 1.00 0.00 H new ATOM 0 HA TYR A 17 2.125 -1.522 9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.879 -0.873 10.812 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.952 -2.578 10.415 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.602 0.696 9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.877 -3.510 9.273 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.962 0.945 9.272 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.239 -3.265 8.653 1.00 0.00 H new ATOM 0 HH TYR A 17 10.002 -1.886 8.593 1.00 0.00 H new ATOM 193 N GLY A 18 2.339 0.940 8.833 1.00 0.00 N ATOM 194 CA GLY A 18 2.347 2.336 8.436 1.00 0.00 C ATOM 195 C GLY A 18 0.969 2.965 8.502 1.00 0.00 C ATOM 196 O GLY A 18 -0.052 2.277 8.512 1.00 0.00 O ATOM 0 H GLY A 18 1.595 0.684 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.028 2.890 9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.733 2.420 7.420 1.00 0.00 H new ATOM 200 N PRO A 19 0.928 4.305 8.549 1.00 0.00 N ATOM 201 CA PRO A 19 -0.329 5.056 8.616 1.00 0.00 C ATOM 202 C PRO A 19 -1.120 4.980 7.315 1.00 0.00 C ATOM 203 O PRO A 19 -2.306 5.306 7.278 1.00 0.00 O ATOM 204 CB PRO A 19 0.131 6.493 8.880 1.00 0.00 C ATOM 205 CG PRO A 19 1.513 6.555 8.329 1.00 0.00 C ATOM 206 CD PRO A 19 2.105 5.189 8.540 1.00 0.00 C ATOM 0 HA PRO A 19 -1.000 4.661 9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.523 7.214 8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.119 6.723 9.945 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.500 6.815 7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.102 7.318 8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.800 4.925 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.658 5.131 9.477 1.00 0.00 H new ATOM 214 N GLY A 20 -0.455 4.548 6.248 1.00 0.00 N ATOM 215 CA GLY A 20 -1.113 4.436 4.959 1.00 0.00 C ATOM 216 C GLY A 20 -2.076 3.267 4.898 1.00 0.00 C ATOM 217 O GLY A 20 -3.081 3.317 4.189 1.00 0.00 O ATOM 0 H GLY A 20 0.527 4.274 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.654 5.359 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.360 4.323 4.179 1.00 0.00 H new ATOM 221 N LEU A 21 -1.768 2.211 5.642 1.00 0.00 N ATOM 222 CA LEU A 21 -2.613 1.022 5.670 1.00 0.00 C ATOM 223 C LEU A 21 -3.821 1.233 6.577 1.00 0.00 C ATOM 224 O LEU A 21 -4.910 0.729 6.303 1.00 0.00 O ATOM 225 CB LEU A 21 -1.809 -0.189 6.145 1.00 0.00 C ATOM 226 CG LEU A 21 -0.443 -0.389 5.487 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.463 -1.223 6.378 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.601 -1.043 4.122 1.00 0.00 C ATOM 0 H LEU A 21 -0.939 2.153 6.234 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.971 0.837 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.662 -0.103 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.406 -1.085 5.976 1.00 0.00 H new ATOM 0 HG LEU A 21 0.019 0.588 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.430 -1.354 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.602 -0.715 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.007 -2.198 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.380 -1.178 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.084 -2.013 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.213 -0.407 3.482 1.00 0.00 H new ATOM 240 N GLU A 22 -3.620 1.982 7.657 1.00 0.00 N ATOM 241 CA GLU A 22 -4.694 2.260 8.603 1.00 0.00 C ATOM 242 C GLU A 22 -5.442 3.533 8.218 1.00 0.00 C ATOM 243 O GLU A 22 -6.594 3.729 8.602 1.00 0.00 O ATOM 244 CB GLU A 22 -4.133 2.393 10.020 1.00 0.00 C ATOM 245 CG GLU A 22 -4.011 1.068 10.754 1.00 0.00 C ATOM 246 CD GLU A 22 -3.805 1.244 12.246 1.00 0.00 C ATOM 247 OE1 GLU A 22 -3.146 2.228 12.643 1.00 0.00 O ATOM 248 OE2 GLU A 22 -4.304 0.397 13.017 1.00 0.00 O ATOM 0 H GLU A 22 -2.724 2.407 7.898 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.394 1.425 8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.151 2.863 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.776 3.059 10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.911 0.478 10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.176 0.503 10.340 1.00 0.00 H new ATOM 255 N GLY A 23 -4.776 4.396 7.457 1.00 0.00 N ATOM 256 CA GLY A 23 -5.392 5.640 7.033 1.00 0.00 C ATOM 257 C GLY A 23 -4.773 6.851 7.703 1.00 0.00 C ATOM 258 O GLY A 23 -3.829 6.724 8.481 1.00 0.00 O ATOM 0 H GLY A 23 -3.821 4.256 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.297 5.739 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.458 5.609 7.258 1.00 0.00 H new ATOM 262 N GLY A 24 -5.307 8.031 7.399 1.00 0.00 N ATOM 263 CA GLY A 24 -4.787 9.253 7.984 1.00 0.00 C ATOM 264 C GLY A 24 -5.646 10.460 7.664 1.00 0.00 C ATOM 265 O GLY A 24 -6.814 10.520 8.048 1.00 0.00 O ATOM 0 H GLY A 24 -6.090 8.162 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.720 9.135 9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.774 9.425 7.619 1.00 0.00 H new ATOM 269 N THR A 25 -5.066 11.427 6.959 1.00 0.00 N ATOM 270 CA THR A 25 -5.784 12.640 6.590 1.00 0.00 C ATOM 271 C THR A 25 -5.644 12.930 5.100 1.00 0.00 C ATOM 272 O THR A 25 -4.678 12.510 4.463 1.00 0.00 O ATOM 273 CB THR A 25 -5.280 13.857 7.388 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.480 13.641 8.790 1.00 0.00 O ATOM 275 CG2 THR A 25 -6.002 15.124 6.957 1.00 0.00 C ATOM 0 H THR A 25 -4.100 11.393 6.632 1.00 0.00 H new ATOM 0 HA THR A 25 -6.834 12.470 6.827 1.00 0.00 H new ATOM 0 HB THR A 25 -4.215 13.979 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.155 14.419 9.290 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.629 15.970 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.823 15.302 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.072 15.010 7.130 1.00 0.00 H new ATOM 283 N THR A 26 -6.614 13.653 4.549 1.00 0.00 N ATOM 284 CA THR A 26 -6.599 13.999 3.133 1.00 0.00 C ATOM 285 C THR A 26 -5.455 14.954 2.813 1.00 0.00 C ATOM 286 O THR A 26 -4.996 15.701 3.677 1.00 0.00 O ATOM 287 CB THR A 26 -7.928 14.645 2.699 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.269 15.713 3.590 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.049 13.616 2.680 1.00 0.00 C ATOM 0 H THR A 26 -7.420 14.010 5.062 1.00 0.00 H new ATOM 0 HA THR A 26 -6.458 13.069 2.582 1.00 0.00 H new ATOM 0 HB THR A 26 -7.802 15.040 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.889 16.326 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.978 14.095 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.800 12.820 1.978 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.173 13.195 3.678 1.00 0.00 H new ATOM 297 N GLY A 27 -4.998 14.926 1.565 1.00 0.00 N ATOM 298 CA GLY A 27 -3.911 15.794 1.153 1.00 0.00 C ATOM 299 C GLY A 27 -2.647 15.563 1.957 1.00 0.00 C ATOM 300 O GLY A 27 -1.762 16.417 1.996 1.00 0.00 O ATOM 0 H GLY A 27 -5.361 14.317 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.700 15.630 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.220 16.834 1.259 1.00 0.00 H new ATOM 304 N VAL A 28 -2.562 14.404 2.602 1.00 0.00 N ATOM 305 CA VAL A 28 -1.397 14.062 3.410 1.00 0.00 C ATOM 306 C VAL A 28 -0.718 12.800 2.890 1.00 0.00 C ATOM 307 O VAL A 28 -1.234 11.694 3.049 1.00 0.00 O ATOM 308 CB VAL A 28 -1.781 13.853 4.888 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.576 13.390 5.692 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.363 15.131 5.472 1.00 0.00 C ATOM 0 H VAL A 28 -3.286 13.686 2.581 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.704 14.900 3.337 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.543 13.076 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.866 13.248 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.208 12.448 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.211 14.142 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.629 14.966 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.624 15.930 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.254 15.415 4.911 1.00 0.00 H new ATOM 320 N SER A 29 0.443 12.974 2.267 1.00 0.00 N ATOM 321 CA SER A 29 1.193 11.850 1.719 1.00 0.00 C ATOM 322 C SER A 29 1.251 10.698 2.718 1.00 0.00 C ATOM 323 O SER A 29 1.949 10.773 3.729 1.00 0.00 O ATOM 324 CB SER A 29 2.610 12.288 1.345 1.00 0.00 C ATOM 325 OG SER A 29 3.235 12.967 2.421 1.00 0.00 O ATOM 0 H SER A 29 0.885 13.883 2.129 1.00 0.00 H new ATOM 0 HA SER A 29 0.679 11.505 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.202 11.416 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.574 12.939 0.472 1.00 0.00 H new ATOM 0 HG SER A 29 3.017 12.516 3.263 1.00 0.00 H new ATOM 331 N SER A 30 0.512 9.632 2.427 1.00 0.00 N ATOM 332 CA SER A 30 0.476 8.465 3.300 1.00 0.00 C ATOM 333 C SER A 30 1.263 7.308 2.694 1.00 0.00 C ATOM 334 O SER A 30 1.057 6.942 1.537 1.00 0.00 O ATOM 335 CB SER A 30 -0.971 8.036 3.553 1.00 0.00 C ATOM 336 OG SER A 30 -1.741 9.112 4.058 1.00 0.00 O ATOM 0 H SER A 30 -0.070 9.553 1.593 1.00 0.00 H new ATOM 0 HA SER A 30 0.938 8.737 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.413 7.672 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.989 7.208 4.261 1.00 0.00 H new ATOM 0 HG SER A 30 -1.484 9.941 3.602 1.00 0.00 H new ATOM 342 N GLU A 31 2.167 6.736 3.484 1.00 0.00 N ATOM 343 CA GLU A 31 2.986 5.621 3.024 1.00 0.00 C ATOM 344 C GLU A 31 3.025 4.508 4.068 1.00 0.00 C ATOM 345 O GLU A 31 2.450 4.636 5.149 1.00 0.00 O ATOM 346 CB GLU A 31 4.407 6.096 2.717 1.00 0.00 C ATOM 347 CG GLU A 31 5.225 6.413 3.957 1.00 0.00 C ATOM 348 CD GLU A 31 6.715 6.243 3.733 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.335 7.154 3.146 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.261 5.198 4.145 1.00 0.00 O ATOM 0 H GLU A 31 2.350 7.026 4.444 1.00 0.00 H new ATOM 0 HA GLU A 31 2.538 5.226 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.921 5.327 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.356 6.985 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.023 7.438 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.908 5.763 4.773 1.00 0.00 H new ATOM 357 N PHE A 32 3.706 3.417 3.736 1.00 0.00 N ATOM 358 CA PHE A 32 3.820 2.280 4.643 1.00 0.00 C ATOM 359 C PHE A 32 4.937 1.340 4.199 1.00 0.00 C ATOM 360 O PHE A 32 5.219 1.213 3.008 1.00 0.00 O ATOM 361 CB PHE A 32 2.494 1.520 4.709 1.00 0.00 C ATOM 362 CG PHE A 32 2.011 1.038 3.371 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.428 -0.184 2.868 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.141 1.807 2.615 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.986 -0.630 1.637 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.695 1.366 1.384 1.00 0.00 C ATOM 367 CZ PHE A 32 1.119 0.146 0.893 1.00 0.00 C ATOM 0 H PHE A 32 4.188 3.295 2.845 1.00 0.00 H new ATOM 0 HA PHE A 32 4.063 2.660 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.608 0.665 5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.735 2.167 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.106 -0.795 3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.808 2.762 2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.318 -1.585 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.015 1.974 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.773 -0.200 -0.070 1.00 0.00 H new ATOM 377 N ILE A 33 5.568 0.684 5.167 1.00 0.00 N ATOM 378 CA ILE A 33 6.654 -0.245 4.877 1.00 0.00 C ATOM 379 C ILE A 33 6.169 -1.689 4.928 1.00 0.00 C ATOM 380 O ILE A 33 5.351 -2.052 5.774 1.00 0.00 O ATOM 381 CB ILE A 33 7.822 -0.071 5.866 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.572 1.231 5.580 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.766 -1.262 5.784 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.697 1.507 6.553 1.00 0.00 C ATOM 0 H ILE A 33 5.346 0.778 6.158 1.00 0.00 H new ATOM 0 HA ILE A 33 7.005 -0.018 3.870 1.00 0.00 H new ATOM 0 HB ILE A 33 7.418 -0.020 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.978 1.192 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.866 2.061 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.586 -1.125 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.223 -2.174 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.165 -1.341 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.184 2.446 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.295 1.578 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.424 0.696 6.508 1.00 0.00 H new ATOM 396 N VAL A 34 6.681 -2.512 4.018 1.00 0.00 N ATOM 397 CA VAL A 34 6.303 -3.919 3.961 1.00 0.00 C ATOM 398 C VAL A 34 7.477 -4.819 4.331 1.00 0.00 C ATOM 399 O VAL A 34 8.368 -5.060 3.518 1.00 0.00 O ATOM 400 CB VAL A 34 5.796 -4.307 2.559 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.417 -5.780 2.517 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.616 -3.434 2.159 1.00 0.00 C ATOM 0 H VAL A 34 7.359 -2.228 3.310 1.00 0.00 H new ATOM 0 HA VAL A 34 5.499 -4.060 4.683 1.00 0.00 H new ATOM 0 HB VAL A 34 6.601 -4.142 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.061 -6.036 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.290 -6.387 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.628 -5.974 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.271 -3.722 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.806 -3.565 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.924 -2.389 2.147 1.00 0.00 H new ATOM 412 N ASN A 35 7.469 -5.314 5.565 1.00 0.00 N ATOM 413 CA ASN A 35 8.534 -6.188 6.044 1.00 0.00 C ATOM 414 C ASN A 35 8.448 -7.561 5.385 1.00 0.00 C ATOM 415 O ASN A 35 7.660 -8.413 5.797 1.00 0.00 O ATOM 416 CB ASN A 35 8.456 -6.334 7.565 1.00 0.00 C ATOM 417 CG ASN A 35 9.114 -7.609 8.058 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.436 -8.585 8.381 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.440 -7.605 8.118 1.00 0.00 N ATOM 0 H ASN A 35 6.738 -5.125 6.250 1.00 0.00 H new ATOM 0 HA ASN A 35 9.489 -5.736 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.936 -5.476 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.411 -6.324 7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.938 -8.434 8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.961 -6.773 7.840 1.00 0.00 H new ATOM 426 N THR A 36 9.266 -7.770 4.358 1.00 0.00 N ATOM 427 CA THR A 36 9.283 -9.039 3.641 1.00 0.00 C ATOM 428 C THR A 36 10.566 -9.813 3.923 1.00 0.00 C ATOM 429 O THR A 36 10.752 -10.926 3.431 1.00 0.00 O ATOM 430 CB THR A 36 9.148 -8.827 2.121 1.00 0.00 C ATOM 431 OG1 THR A 36 10.145 -7.906 1.664 1.00 0.00 O ATOM 432 CG2 THR A 36 7.765 -8.302 1.769 1.00 0.00 C ATOM 0 H THR A 36 9.925 -7.077 4.004 1.00 0.00 H new ATOM 0 HA THR A 36 8.429 -9.615 3.997 1.00 0.00 H new ATOM 0 HB THR A 36 9.290 -9.789 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.053 -7.778 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.693 -8.160 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.010 -9.020 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.598 -7.350 2.272 1.00 0.00 H new ATOM 440 N LEU A 37 11.448 -9.217 4.717 1.00 0.00 N ATOM 441 CA LEU A 37 12.715 -9.851 5.066 1.00 0.00 C ATOM 442 C LEU A 37 12.483 -11.222 5.692 1.00 0.00 C ATOM 443 O LEU A 37 13.031 -12.225 5.235 1.00 0.00 O ATOM 444 CB LEU A 37 13.503 -8.964 6.031 1.00 0.00 C ATOM 445 CG LEU A 37 13.740 -7.523 5.577 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.315 -6.693 6.713 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.665 -7.490 4.369 1.00 0.00 C ATOM 0 H LEU A 37 11.310 -8.295 5.132 1.00 0.00 H new ATOM 0 HA LEU A 37 13.292 -9.983 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.976 -8.941 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.471 -9.430 6.213 1.00 0.00 H new ATOM 0 HG LEU A 37 12.782 -7.091 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.477 -5.671 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.617 -6.689 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.264 -7.123 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.823 -6.457 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.622 -7.940 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.213 -8.049 3.550 1.00 0.00 H new ATOM 459 N ASN A 38 11.666 -11.259 6.739 1.00 0.00 N ATOM 460 CA ASN A 38 11.360 -12.508 7.427 1.00 0.00 C ATOM 461 C ASN A 38 11.003 -13.605 6.429 1.00 0.00 C ATOM 462 O ASN A 38 11.288 -14.781 6.655 1.00 0.00 O ATOM 463 CB ASN A 38 10.207 -12.303 8.411 1.00 0.00 C ATOM 464 CG ASN A 38 10.678 -11.776 9.753 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.685 -10.911 9.728 1.00 0.00 O flip ATOM 466 ND2 ASN A 38 10.142 -12.142 10.799 1.00 0.00 N flip ATOM 0 H ASN A 38 11.204 -10.438 7.130 1.00 0.00 H new ATOM 0 HA ASN A 38 12.248 -12.818 7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.487 -11.606 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.686 -13.249 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.371 -12.809 10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.469 -11.778 11.694 1.00 0.00 H new ATOM 473 N ALA A 39 10.377 -13.212 5.325 1.00 0.00 N ATOM 474 CA ALA A 39 9.983 -14.161 4.291 1.00 0.00 C ATOM 475 C ALA A 39 11.205 -14.776 3.616 1.00 0.00 C ATOM 476 O ALA A 39 11.406 -15.989 3.660 1.00 0.00 O ATOM 477 CB ALA A 39 9.095 -13.480 3.260 1.00 0.00 C ATOM 0 H ALA A 39 10.132 -12.243 5.123 1.00 0.00 H new ATOM 0 HA ALA A 39 9.420 -14.964 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.808 -14.201 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.200 -13.094 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.640 -12.656 2.798 1.00 0.00 H new ATOM 483 N GLY A 40 12.018 -13.930 2.990 1.00 0.00 N ATOM 484 CA GLY A 40 13.210 -14.410 2.314 1.00 0.00 C ATOM 485 C GLY A 40 13.395 -13.779 0.949 1.00 0.00 C ATOM 486 O GLY A 40 14.372 -13.068 0.713 1.00 0.00 O ATOM 0 H GLY A 40 11.873 -12.922 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.084 -14.198 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.151 -15.493 2.205 1.00 0.00 H new ATOM 490 N SER A 41 12.455 -14.039 0.046 1.00 0.00 N ATOM 491 CA SER A 41 12.521 -13.496 -1.306 1.00 0.00 C ATOM 492 C SER A 41 11.234 -13.784 -2.072 1.00 0.00 C ATOM 493 O SER A 41 10.517 -14.736 -1.766 1.00 0.00 O ATOM 494 CB SER A 41 13.717 -14.085 -2.056 1.00 0.00 C ATOM 495 OG SER A 41 14.204 -13.179 -3.031 1.00 0.00 O ATOM 0 H SER A 41 11.638 -14.623 0.226 1.00 0.00 H new ATOM 0 HA SER A 41 12.643 -12.415 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.511 -14.325 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.425 -15.019 -2.536 1.00 0.00 H new ATOM 0 HG SER A 41 14.969 -13.578 -3.495 1.00 0.00 H new ATOM 501 N GLY A 42 10.947 -12.953 -3.069 1.00 0.00 N ATOM 502 CA GLY A 42 9.746 -13.135 -3.864 1.00 0.00 C ATOM 503 C GLY A 42 9.231 -11.832 -4.442 1.00 0.00 C ATOM 504 O GLY A 42 9.803 -10.769 -4.200 1.00 0.00 O ATOM 0 H GLY A 42 11.524 -12.157 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.953 -13.832 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.970 -13.587 -3.246 1.00 0.00 H new ATOM 508 N ALA A 43 8.150 -11.913 -5.210 1.00 0.00 N ATOM 509 CA ALA A 43 7.558 -10.731 -5.824 1.00 0.00 C ATOM 510 C ALA A 43 6.479 -10.130 -4.930 1.00 0.00 C ATOM 511 O ALA A 43 5.927 -10.809 -4.063 1.00 0.00 O ATOM 512 CB ALA A 43 6.982 -11.078 -7.189 1.00 0.00 C ATOM 0 H ALA A 43 7.666 -12.785 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 43 8.344 -9.986 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.543 -10.186 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.776 -11.454 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.214 -11.843 -7.076 1.00 0.00 H new ATOM 518 N LEU A 44 6.183 -8.853 -5.146 1.00 0.00 N ATOM 519 CA LEU A 44 5.169 -8.159 -4.358 1.00 0.00 C ATOM 520 C LEU A 44 4.158 -7.463 -5.264 1.00 0.00 C ATOM 521 O LEU A 44 4.522 -6.890 -6.291 1.00 0.00 O ATOM 522 CB LEU A 44 5.827 -7.138 -3.430 1.00 0.00 C ATOM 523 CG LEU A 44 4.892 -6.110 -2.791 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.040 -6.762 -1.713 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.689 -4.949 -2.215 1.00 0.00 C ATOM 0 H LEU A 44 6.630 -8.277 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 44 4.641 -8.899 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.339 -7.678 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.591 -6.603 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 44 4.229 -5.720 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.381 -6.016 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.441 -7.558 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.687 -7.180 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.007 -4.228 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.377 -5.321 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.255 -4.465 -3.011 1.00 0.00 H new ATOM 537 N SER A 45 2.888 -7.516 -4.875 1.00 0.00 N ATOM 538 CA SER A 45 1.824 -6.891 -5.653 1.00 0.00 C ATOM 539 C SER A 45 1.021 -5.920 -4.793 1.00 0.00 C ATOM 540 O SER A 45 0.255 -6.332 -3.922 1.00 0.00 O ATOM 541 CB SER A 45 0.898 -7.959 -6.237 1.00 0.00 C ATOM 542 OG SER A 45 1.397 -8.448 -7.470 1.00 0.00 O ATOM 0 H SER A 45 2.571 -7.985 -4.027 1.00 0.00 H new ATOM 0 HA SER A 45 2.283 -6.332 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.796 -8.782 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.098 -7.540 -6.384 1.00 0.00 H new ATOM 0 HG SER A 45 0.788 -9.131 -7.822 1.00 0.00 H new ATOM 548 N VAL A 46 1.203 -4.627 -5.044 1.00 0.00 N ATOM 549 CA VAL A 46 0.495 -3.596 -4.295 1.00 0.00 C ATOM 550 C VAL A 46 -0.489 -2.847 -5.186 1.00 0.00 C ATOM 551 O VAL A 46 -0.208 -2.581 -6.355 1.00 0.00 O ATOM 552 CB VAL A 46 1.475 -2.586 -3.668 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.721 -1.543 -2.857 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.501 -3.304 -2.806 1.00 0.00 C ATOM 0 H VAL A 46 1.835 -4.269 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.053 -4.102 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 46 2.004 -2.074 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.430 -0.838 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.029 -1.007 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.163 -2.035 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.185 -2.575 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.992 -3.845 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.063 -4.008 -3.420 1.00 0.00 H new ATOM 564 N THR A 47 -1.646 -2.508 -4.625 1.00 0.00 N ATOM 565 CA THR A 47 -2.674 -1.790 -5.369 1.00 0.00 C ATOM 566 C THR A 47 -3.624 -1.059 -4.427 1.00 0.00 C ATOM 567 O THR A 47 -3.739 -1.408 -3.252 1.00 0.00 O ATOM 568 CB THR A 47 -3.489 -2.743 -6.264 1.00 0.00 C ATOM 569 OG1 THR A 47 -3.596 -4.028 -5.642 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.839 -2.888 -7.632 1.00 0.00 C ATOM 0 H THR A 47 -1.894 -2.719 -3.658 1.00 0.00 H new ATOM 0 HA THR A 47 -2.160 -1.064 -5.998 1.00 0.00 H new ATOM 0 HB THR A 47 -4.485 -2.320 -6.395 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.117 -4.627 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.432 -3.565 -8.247 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.786 -1.912 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.833 -3.290 -7.516 1.00 0.00 H new ATOM 578 N ILE A 48 -4.303 -0.044 -4.950 1.00 0.00 N ATOM 579 CA ILE A 48 -5.245 0.734 -4.156 1.00 0.00 C ATOM 580 C ILE A 48 -6.570 0.911 -4.890 1.00 0.00 C ATOM 581 O ILE A 48 -6.617 0.886 -6.120 1.00 0.00 O ATOM 582 CB ILE A 48 -4.675 2.122 -3.807 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.386 1.979 -2.996 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.703 2.939 -3.039 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.610 3.270 -2.861 1.00 0.00 C ATOM 0 H ILE A 48 -4.218 0.259 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.415 0.177 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.442 2.646 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.632 1.607 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.750 1.230 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.285 3.917 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.597 3.066 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.964 2.420 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.709 3.093 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.333 3.633 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.228 4.015 -2.361 1.00 0.00 H new ATOM 597 N ASP A 49 -7.643 1.092 -4.128 1.00 0.00 N ATOM 598 CA ASP A 49 -8.969 1.276 -4.706 1.00 0.00 C ATOM 599 C ASP A 49 -9.863 2.083 -3.770 1.00 0.00 C ATOM 600 O ASP A 49 -10.085 1.698 -2.623 1.00 0.00 O ATOM 601 CB ASP A 49 -9.612 -0.079 -5.003 1.00 0.00 C ATOM 602 CG ASP A 49 -10.628 -0.005 -6.127 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.621 0.737 -5.979 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.429 -0.689 -7.153 1.00 0.00 O ATOM 0 H ASP A 49 -7.620 1.115 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.858 1.829 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.835 -0.797 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.098 -0.452 -4.102 1.00 0.00 H new ATOM 609 N GLY A 50 -10.372 3.206 -4.267 1.00 0.00 N ATOM 610 CA GLY A 50 -11.234 4.050 -3.461 1.00 0.00 C ATOM 611 C GLY A 50 -12.173 4.891 -4.303 1.00 0.00 C ATOM 612 O GLY A 50 -12.387 4.626 -5.486 1.00 0.00 O ATOM 0 H GLY A 50 -10.203 3.546 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.818 3.426 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.621 4.705 -2.842 1.00 0.00 H new ATOM 616 N PRO A 51 -12.754 5.932 -3.688 1.00 0.00 N ATOM 617 CA PRO A 51 -13.686 6.835 -4.370 1.00 0.00 C ATOM 618 C PRO A 51 -12.991 7.710 -5.407 1.00 0.00 C ATOM 619 O PRO A 51 -13.645 8.371 -6.214 1.00 0.00 O ATOM 620 CB PRO A 51 -14.244 7.694 -3.232 1.00 0.00 C ATOM 621 CG PRO A 51 -13.188 7.664 -2.182 1.00 0.00 C ATOM 622 CD PRO A 51 -12.546 6.308 -2.280 1.00 0.00 C ATOM 0 HA PRO A 51 -14.450 6.290 -4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.442 8.713 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.186 7.292 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.456 8.455 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.617 7.822 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.487 6.346 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.011 5.594 -1.601 1.00 0.00 H new ATOM 630 N SER A 52 -11.662 7.710 -5.380 1.00 0.00 N ATOM 631 CA SER A 52 -10.879 8.507 -6.316 1.00 0.00 C ATOM 632 C SER A 52 -9.449 7.983 -6.412 1.00 0.00 C ATOM 633 O SER A 52 -8.730 7.921 -5.414 1.00 0.00 O ATOM 634 CB SER A 52 -10.869 9.975 -5.885 1.00 0.00 C ATOM 635 OG SER A 52 -12.171 10.530 -5.935 1.00 0.00 O ATOM 0 H SER A 52 -11.105 7.167 -4.720 1.00 0.00 H new ATOM 0 HA SER A 52 -11.343 8.428 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.474 10.057 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.203 10.543 -6.534 1.00 0.00 H new ATOM 0 HG SER A 52 -12.774 9.908 -6.393 1.00 0.00 H new ATOM 641 N LYS A 53 -9.043 7.607 -7.620 1.00 0.00 N ATOM 642 CA LYS A 53 -7.699 7.090 -7.849 1.00 0.00 C ATOM 643 C LYS A 53 -6.671 7.861 -7.027 1.00 0.00 C ATOM 644 O LYS A 53 -6.846 9.048 -6.752 1.00 0.00 O ATOM 645 CB LYS A 53 -7.345 7.172 -9.335 1.00 0.00 C ATOM 646 CG LYS A 53 -7.957 6.060 -10.169 1.00 0.00 C ATOM 647 CD LYS A 53 -8.136 6.482 -11.617 1.00 0.00 C ATOM 648 CE LYS A 53 -8.708 5.353 -12.461 1.00 0.00 C ATOM 649 NZ LYS A 53 -7.638 4.483 -13.022 1.00 0.00 N ATOM 0 H LYS A 53 -9.626 7.651 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.680 6.047 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.678 8.133 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.261 7.142 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.320 5.177 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.923 5.779 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.799 7.346 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.176 6.794 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.384 4.751 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.299 5.772 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.069 3.726 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.008 5.052 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.089 4.063 -12.245 1.00 0.00 H new ATOM 663 N VAL A 54 -5.599 7.179 -6.638 1.00 0.00 N ATOM 664 CA VAL A 54 -4.541 7.801 -5.850 1.00 0.00 C ATOM 665 C VAL A 54 -3.170 7.534 -6.461 1.00 0.00 C ATOM 666 O VAL A 54 -2.859 6.405 -6.841 1.00 0.00 O ATOM 667 CB VAL A 54 -4.551 7.292 -4.396 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.800 7.770 -3.672 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.453 5.775 -4.363 1.00 0.00 C ATOM 0 H VAL A 54 -5.440 6.195 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.734 8.874 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.682 7.701 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.790 7.401 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.822 8.860 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.685 7.392 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.461 5.432 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.301 5.344 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.526 5.460 -4.842 1.00 0.00 H new ATOM 679 N GLN A 55 -2.355 8.579 -6.553 1.00 0.00 N ATOM 680 CA GLN A 55 -1.017 8.457 -7.118 1.00 0.00 C ATOM 681 C GLN A 55 -0.064 7.802 -6.124 1.00 0.00 C ATOM 682 O GLN A 55 0.416 8.446 -5.190 1.00 0.00 O ATOM 683 CB GLN A 55 -0.483 9.832 -7.524 1.00 0.00 C ATOM 684 CG GLN A 55 0.592 9.775 -8.597 1.00 0.00 C ATOM 685 CD GLN A 55 0.017 9.790 -10.000 1.00 0.00 C ATOM 686 OE1 GLN A 55 -0.117 8.746 -10.639 1.00 0.00 O ATOM 687 NE2 GLN A 55 -0.326 10.977 -10.487 1.00 0.00 N ATOM 0 H GLN A 55 -2.598 9.520 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.081 7.825 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.311 10.442 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.079 10.330 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.266 10.623 -8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.187 8.872 -8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.197 11.817 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.718 11.049 -11.426 1.00 0.00 H new ATOM 696 N LEU A 56 0.207 6.517 -6.330 1.00 0.00 N ATOM 697 CA LEU A 56 1.103 5.774 -5.452 1.00 0.00 C ATOM 698 C LEU A 56 2.483 5.620 -6.085 1.00 0.00 C ATOM 699 O LEU A 56 2.616 5.600 -7.309 1.00 0.00 O ATOM 700 CB LEU A 56 0.516 4.396 -5.139 1.00 0.00 C ATOM 701 CG LEU A 56 0.787 3.302 -6.172 1.00 0.00 C ATOM 702 CD1 LEU A 56 2.166 2.697 -5.961 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.286 2.225 -6.100 1.00 0.00 C ATOM 0 H LEU A 56 -0.181 5.969 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 56 1.210 6.336 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.909 4.066 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.563 4.500 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 56 0.759 3.751 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.340 1.920 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.924 3.474 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.224 2.262 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.078 1.454 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.289 1.780 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.261 2.669 -6.301 1.00 0.00 H new ATOM 715 N ASP A 57 3.505 5.509 -5.244 1.00 0.00 N ATOM 716 CA ASP A 57 4.874 5.353 -5.721 1.00 0.00 C ATOM 717 C ASP A 57 5.610 4.284 -4.920 1.00 0.00 C ATOM 718 O ASP A 57 5.886 4.463 -3.733 1.00 0.00 O ATOM 719 CB ASP A 57 5.624 6.683 -5.629 1.00 0.00 C ATOM 720 CG ASP A 57 6.739 6.791 -6.650 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.244 5.737 -7.090 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.106 7.929 -7.009 1.00 0.00 O ATOM 0 H ASP A 57 3.411 5.524 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 57 4.835 5.038 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.922 7.504 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.040 6.793 -4.628 1.00 0.00 H new ATOM 727 N CYS A 58 5.924 3.172 -5.575 1.00 0.00 N ATOM 728 CA CYS A 58 6.626 2.072 -4.923 1.00 0.00 C ATOM 729 C CYS A 58 8.136 2.271 -4.999 1.00 0.00 C ATOM 730 O CYS A 58 8.700 2.414 -6.084 1.00 0.00 O ATOM 731 CB CYS A 58 6.242 0.740 -5.570 1.00 0.00 C ATOM 732 SG CYS A 58 6.654 0.626 -7.326 1.00 0.00 S ATOM 0 H CYS A 58 5.704 3.008 -6.557 1.00 0.00 H new ATOM 0 HA CYS A 58 6.332 2.056 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.743 -0.068 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.170 0.585 -5.449 1.00 0.00 H new ATOM 0 HG CYS A 58 7.698 1.359 -7.575 1.00 0.00 H new ATOM 738 N ARG A 59 8.785 2.281 -3.839 1.00 0.00 N ATOM 739 CA ARG A 59 10.230 2.465 -3.773 1.00 0.00 C ATOM 740 C ARG A 59 10.886 1.343 -2.974 1.00 0.00 C ATOM 741 O ARG A 59 10.219 0.632 -2.223 1.00 0.00 O ATOM 742 CB ARG A 59 10.565 3.818 -3.142 1.00 0.00 C ATOM 743 CG ARG A 59 11.882 3.827 -2.384 1.00 0.00 C ATOM 744 CD ARG A 59 12.183 5.201 -1.806 1.00 0.00 C ATOM 745 NE ARG A 59 12.984 5.119 -0.588 1.00 0.00 N ATOM 746 CZ ARG A 59 13.733 6.117 -0.133 1.00 0.00 C ATOM 747 NH1 ARG A 59 13.783 7.267 -0.791 1.00 0.00 N ATOM 748 NH2 ARG A 59 14.434 5.966 0.984 1.00 0.00 N ATOM 0 H ARG A 59 8.333 2.164 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 59 10.621 2.439 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.601 4.576 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.762 4.101 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.845 3.093 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.690 3.527 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.712 5.798 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.247 5.716 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 59 12.967 4.248 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.245 7.387 -1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.359 8.031 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.398 5.083 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.009 6.733 1.333 1.00 0.00 H new ATOM 762 N GLU A 60 12.195 1.190 -3.143 1.00 0.00 N ATOM 763 CA GLU A 60 12.940 0.153 -2.438 1.00 0.00 C ATOM 764 C GLU A 60 13.387 0.643 -1.064 1.00 0.00 C ATOM 765 O GLU A 60 14.020 1.693 -0.943 1.00 0.00 O ATOM 766 CB GLU A 60 14.157 -0.279 -3.259 1.00 0.00 C ATOM 767 CG GLU A 60 13.807 -1.146 -4.456 1.00 0.00 C ATOM 768 CD GLU A 60 14.922 -1.201 -5.483 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.816 -2.062 -5.342 1.00 0.00 O ATOM 770 OE2 GLU A 60 14.901 -0.382 -6.426 1.00 0.00 O ATOM 0 H GLU A 60 12.762 1.770 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 60 12.280 -0.704 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.684 0.609 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.845 -0.826 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.582 -2.157 -4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.903 -0.760 -4.927 1.00 0.00 H new ATOM 777 N CYS A 61 13.054 -0.124 -0.032 1.00 0.00 N ATOM 778 CA CYS A 61 13.419 0.232 1.334 1.00 0.00 C ATOM 779 C CYS A 61 14.255 -0.870 1.978 1.00 0.00 C ATOM 780 O CYS A 61 14.155 -2.045 1.625 1.00 0.00 O ATOM 781 CB CYS A 61 12.164 0.490 2.169 1.00 0.00 C ATOM 782 SG CYS A 61 10.891 -0.783 2.002 1.00 0.00 S ATOM 0 H CYS A 61 12.532 -0.996 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 61 14.016 1.143 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.449 0.568 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.740 1.452 1.881 1.00 0.00 H new ATOM 0 HG CYS A 61 9.871 -0.477 2.747 1.00 0.00 H new ATOM 788 N PRO A 62 15.100 -0.484 2.945 1.00 0.00 N ATOM 789 CA PRO A 62 15.971 -1.423 3.657 1.00 0.00 C ATOM 790 C PRO A 62 15.189 -2.354 4.578 1.00 0.00 C ATOM 791 O PRO A 62 15.770 -3.190 5.269 1.00 0.00 O ATOM 792 CB PRO A 62 16.887 -0.509 4.474 1.00 0.00 C ATOM 793 CG PRO A 62 16.103 0.745 4.660 1.00 0.00 C ATOM 794 CD PRO A 62 15.272 0.901 3.417 1.00 0.00 C ATOM 0 HA PRO A 62 16.505 -2.082 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.145 -0.961 5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.823 -0.316 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.472 0.683 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.763 1.601 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.314 1.374 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.774 1.520 2.673 1.00 0.00 H new ATOM 802 N GLU A 63 13.868 -2.202 4.582 1.00 0.00 N ATOM 803 CA GLU A 63 13.007 -3.030 5.419 1.00 0.00 C ATOM 804 C GLU A 63 12.076 -3.884 4.565 1.00 0.00 C ATOM 805 O GLU A 63 11.256 -4.639 5.086 1.00 0.00 O ATOM 806 CB GLU A 63 12.187 -2.154 6.369 1.00 0.00 C ATOM 807 CG GLU A 63 13.024 -1.446 7.420 1.00 0.00 C ATOM 808 CD GLU A 63 13.194 -2.269 8.682 1.00 0.00 C ATOM 809 OE1 GLU A 63 13.712 -3.401 8.587 1.00 0.00 O ATOM 810 OE2 GLU A 63 12.809 -1.780 9.765 1.00 0.00 O ATOM 0 H GLU A 63 13.371 -1.514 4.016 1.00 0.00 H new ATOM 0 HA GLU A 63 13.643 -3.693 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.645 -1.409 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.441 -2.773 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.006 -1.218 7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.556 -0.494 7.672 1.00 0.00 H new ATOM 817 N GLY A 64 12.208 -3.758 3.248 1.00 0.00 N ATOM 818 CA GLY A 64 11.372 -4.523 2.341 1.00 0.00 C ATOM 819 C GLY A 64 10.868 -3.693 1.178 1.00 0.00 C ATOM 820 O GLY A 64 11.627 -3.363 0.266 1.00 0.00 O ATOM 0 H GLY A 64 12.879 -3.139 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.938 -5.372 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.522 -4.928 2.890 1.00 0.00 H new ATOM 824 N HIS A 65 9.582 -3.356 1.206 1.00 0.00 N ATOM 825 CA HIS A 65 8.977 -2.559 0.145 1.00 0.00 C ATOM 826 C HIS A 65 8.165 -1.406 0.726 1.00 0.00 C ATOM 827 O HIS A 65 7.378 -1.593 1.654 1.00 0.00 O ATOM 828 CB HIS A 65 8.083 -3.436 -0.733 1.00 0.00 C ATOM 829 CG HIS A 65 8.847 -4.347 -1.644 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.303 -3.960 -2.886 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.235 -5.635 -1.487 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.938 -4.969 -3.454 1.00 0.00 C ATOM 833 NE2 HIS A 65 9.911 -5.998 -2.626 1.00 0.00 N ATOM 0 H HIS A 65 8.939 -3.623 1.952 1.00 0.00 H new ATOM 0 HA HIS A 65 9.779 -2.143 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.435 -4.035 -0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.436 -2.796 -1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.048 -6.260 -0.626 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.401 -4.955 -4.430 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.325 -6.913 -2.804 1.00 0.00 H new ATOM 842 N VAL A 66 8.362 -0.213 0.174 1.00 0.00 N ATOM 843 CA VAL A 66 7.648 0.971 0.638 1.00 0.00 C ATOM 844 C VAL A 66 6.811 1.581 -0.481 1.00 0.00 C ATOM 845 O VAL A 66 7.188 1.531 -1.651 1.00 0.00 O ATOM 846 CB VAL A 66 8.620 2.037 1.177 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.448 2.626 0.045 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.858 3.128 1.914 1.00 0.00 C ATOM 0 H VAL A 66 9.010 -0.041 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 66 6.990 0.649 1.445 1.00 0.00 H new ATOM 0 HB VAL A 66 9.300 1.560 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.129 3.377 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.023 1.834 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.786 3.089 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.560 3.873 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.153 3.604 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.314 2.690 2.751 1.00 0.00 H new ATOM 858 N VAL A 67 5.671 2.157 -0.112 1.00 0.00 N ATOM 859 CA VAL A 67 4.780 2.779 -1.085 1.00 0.00 C ATOM 860 C VAL A 67 4.182 4.070 -0.536 1.00 0.00 C ATOM 861 O VAL A 67 3.638 4.095 0.569 1.00 0.00 O ATOM 862 CB VAL A 67 3.637 1.828 -1.487 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.693 2.512 -2.464 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.197 0.546 -2.083 1.00 0.00 C ATOM 0 H VAL A 67 5.343 2.206 0.853 1.00 0.00 H new ATOM 0 HA VAL A 67 5.381 3.006 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 67 3.071 1.569 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.892 1.825 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.267 3.400 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.243 2.802 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.376 -0.115 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.788 0.784 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.829 0.049 -1.347 1.00 0.00 H new ATOM 874 N THR A 68 4.287 5.142 -1.314 1.00 0.00 N ATOM 875 CA THR A 68 3.758 6.438 -0.907 1.00 0.00 C ATOM 876 C THR A 68 2.625 6.882 -1.824 1.00 0.00 C ATOM 877 O THR A 68 2.764 6.874 -3.048 1.00 0.00 O ATOM 878 CB THR A 68 4.856 7.518 -0.905 1.00 0.00 C ATOM 879 OG1 THR A 68 5.999 7.053 -0.178 1.00 0.00 O ATOM 880 CG2 THR A 68 4.344 8.809 -0.284 1.00 0.00 C ATOM 0 H THR A 68 4.734 5.139 -2.231 1.00 0.00 H new ATOM 0 HA THR A 68 3.375 6.319 0.107 1.00 0.00 H new ATOM 0 HB THR A 68 5.140 7.718 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.693 7.745 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.137 9.557 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.492 9.176 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.035 8.621 0.744 1.00 0.00 H new ATOM 888 N TYR A 69 1.504 7.271 -1.227 1.00 0.00 N ATOM 889 CA TYR A 69 0.346 7.718 -1.991 1.00 0.00 C ATOM 890 C TYR A 69 -0.277 8.959 -1.361 1.00 0.00 C ATOM 891 O TYR A 69 -0.025 9.274 -0.197 1.00 0.00 O ATOM 892 CB TYR A 69 -0.695 6.600 -2.080 1.00 0.00 C ATOM 893 CG TYR A 69 -1.514 6.434 -0.820 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.585 7.276 -0.548 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.216 5.435 0.099 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.336 7.128 0.602 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.962 5.279 1.251 1.00 0.00 C ATOM 898 CZ TYR A 69 -3.020 6.128 1.498 1.00 0.00 C ATOM 899 OH TYR A 69 -3.765 5.976 2.645 1.00 0.00 O ATOM 0 H TYR A 69 1.373 7.286 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 69 0.682 7.973 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.365 6.805 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.189 5.660 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.835 8.060 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.387 4.769 -0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.165 7.791 0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.718 4.496 1.954 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.529 5.130 3.079 1.00 0.00 H new ATOM 909 N THR A 70 -1.095 9.663 -2.138 1.00 0.00 N ATOM 910 CA THR A 70 -1.755 10.870 -1.657 1.00 0.00 C ATOM 911 C THR A 70 -3.261 10.803 -1.889 1.00 0.00 C ATOM 912 O THR A 70 -3.734 10.661 -3.017 1.00 0.00 O ATOM 913 CB THR A 70 -1.197 12.128 -2.348 1.00 0.00 C ATOM 914 OG1 THR A 70 0.175 12.318 -1.985 1.00 0.00 O ATOM 915 CG2 THR A 70 -2.003 13.360 -1.964 1.00 0.00 C ATOM 0 H THR A 70 -1.316 9.418 -3.103 1.00 0.00 H new ATOM 0 HA THR A 70 -1.557 10.933 -0.587 1.00 0.00 H new ATOM 0 HB THR A 70 -1.272 11.986 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.523 13.119 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.590 14.236 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.041 13.225 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.956 13.503 -0.884 1.00 0.00 H new ATOM 923 N PRO A 71 -4.033 10.909 -0.798 1.00 0.00 N ATOM 924 CA PRO A 71 -5.497 10.864 -0.857 1.00 0.00 C ATOM 925 C PRO A 71 -6.089 12.105 -1.516 1.00 0.00 C ATOM 926 O PRO A 71 -5.650 13.225 -1.257 1.00 0.00 O ATOM 927 CB PRO A 71 -5.910 10.792 0.615 1.00 0.00 C ATOM 928 CG PRO A 71 -4.779 11.416 1.357 1.00 0.00 C ATOM 929 CD PRO A 71 -3.537 11.080 0.578 1.00 0.00 C ATOM 0 HA PRO A 71 -5.855 10.026 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.843 11.328 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.070 9.761 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.911 12.495 1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.719 11.029 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.795 11.876 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.063 10.172 0.950 1.00 0.00 H new ATOM 937 N MET A 72 -7.088 11.899 -2.367 1.00 0.00 N ATOM 938 CA MET A 72 -7.741 13.003 -3.061 1.00 0.00 C ATOM 939 C MET A 72 -9.180 13.170 -2.584 1.00 0.00 C ATOM 940 O MET A 72 -9.880 14.090 -3.006 1.00 0.00 O ATOM 941 CB MET A 72 -7.717 12.768 -4.573 1.00 0.00 C ATOM 942 CG MET A 72 -6.319 12.558 -5.133 1.00 0.00 C ATOM 943 SD MET A 72 -6.223 12.896 -6.902 1.00 0.00 S ATOM 944 CE MET A 72 -7.499 11.805 -7.525 1.00 0.00 C ATOM 0 H MET A 72 -7.463 10.978 -2.593 1.00 0.00 H new ATOM 0 HA MET A 72 -7.193 13.917 -2.833 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.328 11.896 -4.807 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.175 13.622 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.619 13.205 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.007 11.531 -4.946 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.101 11.212 -8.348 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.832 11.141 -6.727 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.343 12.397 -7.880 1.00 0.00 H new ATOM 954 N ALA A 73 -9.614 12.276 -1.702 1.00 0.00 N ATOM 955 CA ALA A 73 -10.969 12.326 -1.167 1.00 0.00 C ATOM 956 C ALA A 73 -11.101 11.451 0.075 1.00 0.00 C ATOM 957 O ALA A 73 -10.498 10.383 0.178 1.00 0.00 O ATOM 958 CB ALA A 73 -11.972 11.897 -2.227 1.00 0.00 C ATOM 0 H ALA A 73 -9.047 11.508 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.181 13.355 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.979 11.939 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.904 12.566 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.753 10.877 -2.544 1.00 0.00 H new ATOM 964 N PRO A 74 -11.909 11.912 1.041 1.00 0.00 N ATOM 965 CA PRO A 74 -12.139 11.185 2.294 1.00 0.00 C ATOM 966 C PRO A 74 -12.953 9.913 2.085 1.00 0.00 C ATOM 967 O PRO A 74 -14.117 9.967 1.691 1.00 0.00 O ATOM 968 CB PRO A 74 -12.922 12.187 3.146 1.00 0.00 C ATOM 969 CG PRO A 74 -13.594 13.079 2.160 1.00 0.00 C ATOM 970 CD PRO A 74 -12.660 13.177 0.986 1.00 0.00 C ATOM 0 HA PRO A 74 -11.206 10.853 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.649 11.682 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.260 12.751 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.558 12.670 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.785 14.062 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.204 13.281 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.000 14.040 1.069 1.00 0.00 H new ATOM 978 N GLY A 75 -12.332 8.768 2.351 1.00 0.00 N ATOM 979 CA GLY A 75 -13.015 7.498 2.187 1.00 0.00 C ATOM 980 C GLY A 75 -12.165 6.322 2.624 1.00 0.00 C ATOM 981 O GLY A 75 -11.174 6.493 3.333 1.00 0.00 O ATOM 0 H GLY A 75 -11.368 8.697 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.939 7.509 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.294 7.372 1.141 1.00 0.00 H new ATOM 985 N ASN A 76 -12.553 5.123 2.202 1.00 0.00 N ATOM 986 CA ASN A 76 -11.821 3.913 2.556 1.00 0.00 C ATOM 987 C ASN A 76 -11.149 3.304 1.329 1.00 0.00 C ATOM 988 O ASN A 76 -11.818 2.777 0.440 1.00 0.00 O ATOM 989 CB ASN A 76 -12.762 2.890 3.196 1.00 0.00 C ATOM 990 CG ASN A 76 -13.991 2.625 2.347 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.049 1.640 1.611 1.00 0.00 O ATOM 992 ND2 ASN A 76 -14.979 3.506 2.445 1.00 0.00 N ATOM 0 H ASN A 76 -13.371 4.964 1.614 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.048 4.185 3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.224 1.955 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.072 3.249 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.830 3.381 1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.887 4.308 3.068 1.00 0.00 H new ATOM 999 N TYR A 77 -9.824 3.380 1.288 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.061 2.839 0.169 1.00 0.00 C ATOM 1001 C TYR A 77 -8.595 1.416 0.466 1.00 0.00 C ATOM 1002 O TYR A 77 -7.949 1.161 1.483 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.855 3.730 -0.132 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.230 5.125 -0.579 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.474 6.131 0.349 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.342 5.437 -1.928 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.817 7.407 -0.055 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.683 6.711 -2.340 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.920 7.692 -1.400 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.262 8.961 -1.807 1.00 0.00 O ATOM 0 H TYR A 77 -9.255 3.811 2.017 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.713 2.815 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.233 3.798 0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.250 3.259 -0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.394 5.911 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.159 4.671 -2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.003 8.177 0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.764 6.937 -3.393 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.687 9.439 -1.065 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.927 0.494 -0.430 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.542 -0.904 -0.268 1.00 0.00 C ATOM 1022 C LEU A 78 -7.111 -1.134 -0.742 1.00 0.00 C ATOM 1023 O LEU A 78 -6.835 -1.125 -1.942 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.500 -1.811 -1.043 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.673 -3.228 -0.496 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.326 -3.924 -0.382 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.375 -3.197 0.854 1.00 0.00 C ATOM 0 H LEU A 78 -9.462 0.689 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.597 -1.149 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.479 -1.332 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.149 -1.881 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.293 -3.792 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.469 -4.931 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.861 -3.979 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.681 -3.361 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.490 -4.214 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.781 -2.616 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.358 -2.739 0.743 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.205 -1.342 0.208 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.803 -1.578 -0.113 1.00 0.00 C ATOM 1041 C ILE A 79 -4.480 -3.068 -0.106 1.00 0.00 C ATOM 1042 O ILE A 79 -4.301 -3.669 0.953 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.870 -0.857 0.878 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.132 0.650 0.855 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.415 -1.152 0.545 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.409 1.406 1.949 1.00 0.00 C ATOM 0 H ILE A 79 -6.417 -1.352 1.206 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.637 -1.178 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.075 -1.227 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.828 1.049 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.204 0.826 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.768 -0.636 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.238 -2.226 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.196 -0.806 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.641 2.468 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.731 1.034 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.334 1.261 1.842 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.407 -3.658 -1.295 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.102 -5.077 -1.426 1.00 0.00 C ATOM 1060 C ALA A 80 -2.596 -5.317 -1.427 1.00 0.00 C ATOM 1061 O ALA A 80 -1.842 -4.582 -2.064 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.729 -5.636 -2.694 1.00 0.00 C ATOM 0 H ALA A 80 -4.555 -3.175 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.525 -5.596 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.493 -6.697 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.811 -5.507 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.333 -5.106 -3.560 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.166 -6.349 -0.710 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.750 -6.686 -0.629 1.00 0.00 C ATOM 1070 C ILE A 81 -0.537 -8.193 -0.713 1.00 0.00 C ATOM 1071 O ILE A 81 -1.020 -8.948 0.132 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.120 -6.162 0.675 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.434 -4.675 0.858 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.383 -6.394 0.668 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.001 -4.126 2.198 1.00 0.00 C ATOM 0 H ILE A 81 -2.778 -6.967 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.263 -6.205 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.549 -6.711 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.056 -4.108 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.507 -4.522 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.813 -6.018 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.586 -7.461 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.828 -5.869 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.253 -3.068 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.508 -4.667 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.079 -4.247 2.308 1.00 0.00 H new ATOM 1087 N LYS A 82 0.190 -8.626 -1.737 1.00 0.00 N ATOM 1088 CA LYS A 82 0.471 -10.044 -1.932 1.00 0.00 C ATOM 1089 C LYS A 82 1.971 -10.289 -2.056 1.00 0.00 C ATOM 1090 O LYS A 82 2.729 -9.389 -2.418 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.247 -10.560 -3.181 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.736 -10.260 -3.195 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.495 -11.246 -4.067 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.868 -10.713 -4.447 1.00 0.00 C ATOM 1095 NZ LYS A 82 -3.787 -9.698 -5.534 1.00 0.00 N ATOM 0 H LYS A 82 0.596 -8.015 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 82 0.104 -10.585 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.213 -10.116 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.101 -11.638 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.125 -10.298 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.901 -9.247 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.921 -11.451 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.605 -12.192 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.502 -11.539 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.341 -10.270 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.747 -9.409 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.260 -8.868 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.298 -10.107 -6.355 1.00 0.00 H new ATOM 1109 N TYR A 83 2.392 -11.513 -1.755 1.00 0.00 N ATOM 1110 CA TYR A 83 3.802 -11.876 -1.833 1.00 0.00 C ATOM 1111 C TYR A 83 3.967 -13.377 -2.046 1.00 0.00 C ATOM 1112 O TYR A 83 3.355 -14.186 -1.350 1.00 0.00 O ATOM 1113 CB TYR A 83 4.532 -11.447 -0.558 1.00 0.00 C ATOM 1114 CG TYR A 83 6.035 -11.393 -0.710 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.657 -10.285 -1.272 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.834 -12.450 -0.291 1.00 0.00 C ATOM 1117 CE1 TYR A 83 8.030 -10.231 -1.413 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.208 -12.405 -0.427 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.801 -11.294 -0.989 1.00 0.00 C ATOM 1120 OH TYR A 83 10.169 -11.244 -1.127 1.00 0.00 O ATOM 0 H TYR A 83 1.777 -12.270 -1.455 1.00 0.00 H new ATOM 0 HA TYR A 83 4.238 -11.356 -2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.170 -10.464 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.281 -12.140 0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.056 -9.451 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.373 -13.322 0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.497 -9.362 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.814 -13.235 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 83 10.398 -10.752 -1.943 1.00 0.00 H new ATOM 1130 N GLY A 84 4.801 -13.743 -3.016 1.00 0.00 N ATOM 1131 CA GLY A 84 5.033 -15.146 -3.305 1.00 0.00 C ATOM 1132 C GLY A 84 3.771 -15.978 -3.188 1.00 0.00 C ATOM 1133 O GLY A 84 3.737 -16.968 -2.458 1.00 0.00 O ATOM 0 H GLY A 84 5.320 -13.093 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.437 -15.244 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.786 -15.535 -2.620 1.00 0.00 H new ATOM 1137 N GLY A 85 2.729 -15.576 -3.910 1.00 0.00 N ATOM 1138 CA GLY A 85 1.473 -16.302 -3.868 1.00 0.00 C ATOM 1139 C GLY A 85 0.319 -15.496 -4.432 1.00 0.00 C ATOM 1140 O GLY A 85 0.262 -14.274 -4.295 1.00 0.00 O ATOM 0 H GLY A 85 2.732 -14.761 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.574 -17.230 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.250 -16.578 -2.837 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.627 -16.187 -5.084 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.802 -15.548 -5.684 1.00 0.00 C ATOM 1146 C PRO A 86 -2.773 -15.019 -4.635 1.00 0.00 C ATOM 1147 O PRO A 86 -3.685 -14.256 -4.950 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.448 -16.679 -6.489 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.003 -17.929 -5.811 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.623 -17.646 -5.285 1.00 0.00 C ATOM 0 HA PRO A 86 -1.532 -14.679 -6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.535 -16.594 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.126 -16.657 -7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.682 -18.197 -5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.991 -18.768 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.431 -18.179 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.147 -17.952 -5.993 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.571 -15.430 -3.387 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.430 -14.996 -2.292 1.00 0.00 C ATOM 1160 C GLN A 87 -2.826 -13.798 -1.567 1.00 0.00 C ATOM 1161 O GLN A 87 -1.700 -13.389 -1.853 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.653 -16.144 -1.305 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.705 -17.142 -1.762 1.00 0.00 C ATOM 1164 CD GLN A 87 -4.748 -18.383 -0.891 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -5.721 -18.618 -0.174 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -3.692 -19.185 -0.950 1.00 0.00 N ATOM 0 H GLN A 87 -1.820 -16.062 -3.109 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.389 -14.696 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.710 -16.668 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.950 -15.731 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.684 -16.662 -1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.502 -17.433 -2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.907 -18.951 -1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.665 -20.035 -0.387 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.582 -13.237 -0.628 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.120 -12.085 0.138 1.00 0.00 C ATOM 1177 C HIS A 88 -2.216 -12.523 1.287 1.00 0.00 C ATOM 1178 O HIS A 88 -2.124 -13.711 1.598 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.312 -11.298 0.683 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.079 -10.565 -0.374 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.395 -9.226 -0.283 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.593 -10.992 -1.552 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.072 -8.861 -1.358 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.205 -9.915 -2.143 1.00 0.00 N ATOM 0 H HIS A 88 -4.517 -13.561 -0.380 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.544 -11.443 -0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.984 -11.984 1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.956 -10.582 1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.533 -11.993 -1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.452 -7.870 -1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.685 -9.927 -3.043 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.552 -11.557 1.912 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.657 -11.843 3.025 1.00 0.00 C ATOM 1195 C ILE A 89 -1.391 -11.753 4.359 1.00 0.00 C ATOM 1196 O ILE A 89 -2.495 -11.213 4.436 1.00 0.00 O ATOM 1197 CB ILE A 89 0.543 -10.878 3.046 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.071 -9.450 3.327 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.298 -10.942 1.727 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.124 -8.583 3.981 1.00 0.00 C ATOM 0 H ILE A 89 -1.617 -10.569 1.666 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.292 -12.860 2.882 1.00 0.00 H new ATOM 0 HB ILE A 89 1.220 -11.181 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.238 -8.987 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.808 -9.487 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.143 -10.254 1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.662 -11.957 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.631 -10.661 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.720 -7.585 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.417 -9.023 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.996 -8.516 3.330 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.770 -12.282 5.408 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.363 -12.259 6.740 1.00 0.00 C ATOM 1214 C VAL A 90 -1.688 -10.833 7.171 1.00 0.00 C ATOM 1215 O VAL A 90 -0.792 -10.029 7.422 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.426 -12.897 7.782 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.935 -12.219 7.764 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.047 -12.828 9.169 1.00 0.00 C ATOM 0 H VAL A 90 0.144 -12.732 5.361 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.284 -12.839 6.687 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.285 -13.946 7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.583 -12.684 8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.382 -12.326 6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.817 -11.161 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.371 -13.283 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.220 -11.786 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.996 -13.365 9.170 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.979 -10.526 7.256 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.401 -9.197 7.658 1.00 0.00 C ATOM 1230 C GLY A 91 -4.095 -8.446 6.538 1.00 0.00 C ATOM 1231 O GLY A 91 -4.954 -7.601 6.788 1.00 0.00 O ATOM 0 H GLY A 91 -3.740 -11.174 7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.075 -9.276 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.532 -8.628 7.989 1.00 0.00 H new ATOM 1235 N SER A 92 -3.720 -8.753 5.301 1.00 0.00 N ATOM 1236 CA SER A 92 -4.307 -8.096 4.139 1.00 0.00 C ATOM 1237 C SER A 92 -5.623 -8.762 3.746 1.00 0.00 C ATOM 1238 O SER A 92 -5.902 -9.905 4.108 1.00 0.00 O ATOM 1239 CB SER A 92 -3.333 -8.131 2.960 1.00 0.00 C ATOM 1240 OG SER A 92 -2.488 -6.993 2.962 1.00 0.00 O ATOM 0 H SER A 92 -3.012 -9.453 5.077 1.00 0.00 H new ATOM 0 HA SER A 92 -4.509 -7.058 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.729 -9.037 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.891 -8.172 2.025 1.00 0.00 H new ATOM 0 HG SER A 92 -2.745 -6.396 3.696 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.452 -8.030 2.987 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.131 -6.668 2.551 1.00 0.00 C ATOM 1248 C PRO A 93 -6.148 -5.671 3.704 1.00 0.00 C ATOM 1249 O PRO A 93 -6.486 -6.020 4.835 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.242 -6.346 1.548 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.381 -7.216 1.952 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.767 -8.476 2.497 1.00 0.00 C ATOM 0 HA PRO A 93 -5.127 -6.600 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.516 -5.292 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.926 -6.557 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.999 -6.726 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.027 -7.433 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.370 -8.903 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.671 -9.242 1.727 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.782 -4.427 3.410 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.755 -3.379 4.423 1.00 0.00 C ATOM 1262 C PHE A 94 -6.628 -2.198 4.006 1.00 0.00 C ATOM 1263 O PHE A 94 -6.396 -1.575 2.971 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.319 -2.907 4.661 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.489 -3.886 5.441 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.564 -3.932 6.824 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.633 -4.761 4.791 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.801 -4.831 7.544 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.867 -5.663 5.506 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.952 -5.699 6.884 1.00 0.00 C ATOM 0 H PHE A 94 -5.500 -4.121 2.479 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.152 -3.793 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.841 -2.723 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.341 -1.956 5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.227 -3.257 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.564 -4.738 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.868 -4.855 8.622 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.203 -6.339 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.356 -6.404 7.445 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.633 -1.897 4.821 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.541 -0.791 4.541 1.00 0.00 C ATOM 1282 C LYS A 95 -8.035 0.502 5.170 1.00 0.00 C ATOM 1283 O LYS A 95 -7.980 0.628 6.393 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.943 -1.111 5.064 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.054 -0.437 4.276 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.335 -1.254 4.310 1.00 0.00 C ATOM 1287 CE LYS A 95 -13.179 -1.018 3.067 1.00 0.00 C ATOM 1288 NZ LYS A 95 -14.618 -1.315 3.308 1.00 0.00 N ATOM 0 H LYS A 95 -7.840 -2.404 5.682 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.585 -0.655 3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.094 -2.190 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.011 -0.804 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.243 0.555 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.736 -0.299 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.090 -2.313 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.911 -0.993 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.071 0.018 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.810 -1.643 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.159 -1.142 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.725 -2.311 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.977 -0.701 4.066 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.667 1.461 4.327 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.168 2.746 4.802 1.00 0.00 C ATOM 1304 C ALA A 96 -8.269 3.801 4.788 1.00 0.00 C ATOM 1305 O ALA A 96 -8.754 4.195 3.727 1.00 0.00 O ATOM 1306 CB ALA A 96 -5.989 3.201 3.954 1.00 0.00 C ATOM 0 H ALA A 96 -7.705 1.373 3.312 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.834 2.620 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.627 4.162 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.189 2.463 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.306 3.304 2.916 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.662 4.255 5.974 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.706 5.265 6.099 1.00 0.00 C ATOM 1314 C LYS A 97 -9.101 6.658 6.248 1.00 0.00 C ATOM 1315 O LYS A 97 -8.553 6.998 7.296 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.602 4.956 7.301 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.585 6.066 7.628 1.00 0.00 C ATOM 1318 CD LYS A 97 -11.916 6.099 9.111 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.006 5.098 9.462 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.364 5.630 9.162 1.00 0.00 N ATOM 0 H LYS A 97 -8.273 3.939 6.862 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.307 5.244 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.156 4.038 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.975 4.769 8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.165 7.026 7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.500 5.924 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.019 5.879 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.238 7.102 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.846 4.176 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.940 4.846 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.079 4.919 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.527 6.496 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.435 5.847 8.147 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.205 7.459 5.193 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.671 8.816 5.207 1.00 0.00 C ATOM 1336 C VAL A 98 -9.772 9.838 5.466 1.00 0.00 C ATOM 1337 O VAL A 98 -10.833 9.797 4.842 1.00 0.00 O ATOM 1338 CB VAL A 98 -7.971 9.157 3.879 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.491 10.601 3.883 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.814 8.203 3.626 1.00 0.00 C ATOM 0 H VAL A 98 -9.654 7.192 4.317 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.941 8.860 6.016 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.691 9.041 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.999 10.823 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.343 11.267 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.786 10.748 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.331 8.459 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.091 8.284 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.190 7.181 3.576 1.00 0.00 H new ATOM 1350 N THR A 99 -9.514 10.756 6.392 1.00 0.00 N ATOM 1351 CA THR A 99 -10.483 11.789 6.735 1.00 0.00 C ATOM 1352 C THR A 99 -10.020 13.159 6.254 1.00 0.00 C ATOM 1353 O THR A 99 -8.866 13.333 5.862 1.00 0.00 O ATOM 1354 CB THR A 99 -10.729 11.847 8.255 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.631 12.915 8.565 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.421 12.046 9.007 1.00 0.00 C ATOM 0 H THR A 99 -8.642 10.805 6.918 1.00 0.00 H new ATOM 0 HA THR A 99 -11.415 11.527 6.234 1.00 0.00 H new ATOM 0 HB THR A 99 -11.169 10.899 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.122 13.736 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.619 12.084 10.078 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.748 11.216 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.958 12.981 8.690 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.926 14.131 6.287 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.590 15.474 5.852 1.00 0.00 C ATOM 1366 C GLY A 100 -11.315 15.870 4.581 1.00 0.00 C ATOM 1367 O GLY A 100 -11.899 15.037 3.889 1.00 0.00 O ATOM 0 H GLY A 100 -11.887 14.012 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.838 16.182 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.514 15.541 5.689 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.283 17.172 4.258 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.938 17.706 3.060 1.00 0.00 C ATOM 1373 C PRO A 101 -11.242 17.270 1.775 1.00 0.00 C ATOM 1374 O PRO A 101 -10.027 17.075 1.752 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.825 19.222 3.241 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.636 19.412 4.118 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.605 18.221 5.037 1.00 0.00 C ATOM 0 HA PRO A 101 -12.963 17.349 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.695 19.726 2.283 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.724 19.634 3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.722 19.474 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.713 20.340 4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.584 17.936 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.123 18.423 5.975 1.00 0.00 H new