USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 146:sc= -0.782 (180deg=0) USER MOD Set 1.2: A 82 ASN : amide:sc= -0.876 K(o=-1.7,f=-0.07) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 51:sc= 0.385 USER MOD Single : A 13 THR OG1 : rot 170:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00356) USER MOD Single : A 18 CYS SG : rot -43:sc= -3.14 USER MOD Single : A 22 MET CE :methyl -167:sc= -6.12 (180deg=-7.85!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.25 K(o=1.2,f=-0.085) USER MOD Single : A 29 ASN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 30 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0.321 (180deg=0.0422) USER MOD Single : A 42 ASN : amide:sc= -0.235 K(o=-0.24,f=-0.92) USER MOD Single : A 44 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 45 ASN : amide:sc= -0.289 K(o=-0.29,f=-9.9!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc=-0.00871 (180deg=-0.128) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc=-0.00537 (180deg=-0.119) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 1.6 (180deg=1.55) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 72 ASN : amide:sc= -0.657 K(o=-0.66,f=-0.043) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00428 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.166 4.176 13.555 1.00 0.00 N ATOM 2 CA GLY A 1 0.095 5.585 13.789 1.00 0.00 C ATOM 3 C GLY A 1 1.552 5.860 14.103 1.00 0.00 C ATOM 4 O GLY A 1 2.015 5.600 15.214 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.175 4.040 13.345 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.403 3.847 12.749 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.087 3.630 14.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.198 6.157 12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.524 5.934 14.616 1.00 0.00 H new ATOM 8 N SER A 2 2.278 6.385 13.122 1.00 0.00 N ATOM 9 CA SER A 2 3.693 6.691 13.297 1.00 0.00 C ATOM 10 C SER A 2 4.236 7.459 12.096 1.00 0.00 C ATOM 11 O SER A 2 4.094 7.026 10.952 1.00 0.00 O ATOM 12 CB SER A 2 4.494 5.403 13.497 1.00 0.00 C ATOM 13 OG SER A 2 5.876 5.679 13.645 1.00 0.00 O ATOM 0 H SER A 2 1.910 6.608 12.197 1.00 0.00 H new ATOM 0 HA SER A 2 3.797 7.317 14.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.129 4.877 14.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.342 4.740 12.645 1.00 0.00 H new ATOM 0 HG SER A 2 6.365 4.840 13.773 1.00 0.00 H new ATOM 19 N SER A 3 4.858 8.603 12.365 1.00 0.00 N ATOM 20 CA SER A 3 5.419 9.435 11.307 1.00 0.00 C ATOM 21 C SER A 3 6.058 8.575 10.221 1.00 0.00 C ATOM 22 O SER A 3 7.167 8.067 10.387 1.00 0.00 O ATOM 23 CB SER A 3 6.456 10.401 11.885 1.00 0.00 C ATOM 24 OG SER A 3 5.829 11.494 12.533 1.00 0.00 O ATOM 0 H SER A 3 4.986 8.974 13.306 1.00 0.00 H new ATOM 0 HA SER A 3 4.607 10.009 10.861 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.095 9.873 12.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.100 10.769 11.086 1.00 0.00 H new ATOM 0 HG SER A 3 6.513 12.096 12.895 1.00 0.00 H new ATOM 30 N GLY A 4 5.350 8.416 9.107 1.00 0.00 N ATOM 31 CA GLY A 4 5.863 7.617 8.009 1.00 0.00 C ATOM 32 C GLY A 4 4.767 6.876 7.270 1.00 0.00 C ATOM 33 O GLY A 4 4.937 5.716 6.895 1.00 0.00 O ATOM 0 H GLY A 4 4.430 8.826 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.395 8.263 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.587 6.899 8.394 1.00 0.00 H new ATOM 37 N SER A 5 3.638 7.546 7.062 1.00 0.00 N ATOM 38 CA SER A 5 2.507 6.941 6.368 1.00 0.00 C ATOM 39 C SER A 5 2.975 6.162 5.142 1.00 0.00 C ATOM 40 O SER A 5 2.630 4.994 4.966 1.00 0.00 O ATOM 41 CB SER A 5 1.503 8.018 5.949 1.00 0.00 C ATOM 42 OG SER A 5 0.485 7.474 5.127 1.00 0.00 O ATOM 0 H SER A 5 3.482 8.508 7.364 1.00 0.00 H new ATOM 0 HA SER A 5 2.021 6.247 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.057 8.468 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.021 8.814 5.413 1.00 0.00 H new ATOM 0 HG SER A 5 -0.144 8.181 4.874 1.00 0.00 H new ATOM 48 N SER A 6 3.764 6.819 4.298 1.00 0.00 N ATOM 49 CA SER A 6 4.278 6.190 3.086 1.00 0.00 C ATOM 50 C SER A 6 5.300 5.110 3.426 1.00 0.00 C ATOM 51 O SER A 6 6.507 5.336 3.349 1.00 0.00 O ATOM 52 CB SER A 6 4.912 7.240 2.172 1.00 0.00 C ATOM 53 OG SER A 6 3.925 8.075 1.592 1.00 0.00 O ATOM 0 H SER A 6 4.061 7.786 4.431 1.00 0.00 H new ATOM 0 HA SER A 6 3.442 5.723 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.616 7.846 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.482 6.745 1.386 1.00 0.00 H new ATOM 0 HG SER A 6 4.356 8.738 1.014 1.00 0.00 H new ATOM 59 N GLY A 7 4.807 3.934 3.803 1.00 0.00 N ATOM 60 CA GLY A 7 5.690 2.836 4.149 1.00 0.00 C ATOM 61 C GLY A 7 5.927 1.894 2.986 1.00 0.00 C ATOM 62 O GLY A 7 5.149 0.966 2.761 1.00 0.00 O ATOM 0 H GLY A 7 3.812 3.722 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.645 3.236 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.262 2.279 4.983 1.00 0.00 H new ATOM 66 N ARG A 8 7.003 2.131 2.243 1.00 0.00 N ATOM 67 CA ARG A 8 7.338 1.298 1.095 1.00 0.00 C ATOM 68 C ARG A 8 7.059 -0.173 1.390 1.00 0.00 C ATOM 69 O ARG A 8 6.496 -0.887 0.561 1.00 0.00 O ATOM 70 CB ARG A 8 8.809 1.483 0.716 1.00 0.00 C ATOM 71 CG ARG A 8 9.077 2.745 -0.088 1.00 0.00 C ATOM 72 CD ARG A 8 8.852 2.517 -1.575 1.00 0.00 C ATOM 73 NE ARG A 8 7.465 2.756 -1.962 1.00 0.00 N ATOM 74 CZ ARG A 8 6.914 2.264 -3.066 1.00 0.00 C ATOM 75 NH1 ARG A 8 7.630 1.509 -3.888 1.00 0.00 N ATOM 76 NH2 ARG A 8 5.645 2.527 -3.350 1.00 0.00 N ATOM 0 H ARG A 8 7.658 2.894 2.416 1.00 0.00 H new ATOM 0 HA ARG A 8 6.712 1.608 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.409 1.507 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.138 0.618 0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.425 3.545 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.103 3.074 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.506 3.176 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.128 1.494 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 8 6.887 3.333 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.606 1.305 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.205 1.132 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.091 3.108 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.223 2.149 -4.198 1.00 0.00 H new ATOM 90 N GLY A 9 7.456 -0.618 2.578 1.00 0.00 N ATOM 91 CA GLY A 9 7.241 -2.001 2.961 1.00 0.00 C ATOM 92 C GLY A 9 8.176 -2.449 4.067 1.00 0.00 C ATOM 93 O GLY A 9 9.295 -1.949 4.183 1.00 0.00 O ATOM 0 H GLY A 9 7.922 -0.046 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.209 -2.128 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.380 -2.642 2.090 1.00 0.00 H new ATOM 97 N SER A 10 7.718 -3.394 4.881 1.00 0.00 N ATOM 98 CA SER A 10 8.520 -3.906 5.987 1.00 0.00 C ATOM 99 C SER A 10 8.454 -5.429 6.046 1.00 0.00 C ATOM 100 O SER A 10 7.715 -5.998 6.851 1.00 0.00 O ATOM 101 CB SER A 10 8.039 -3.310 7.311 1.00 0.00 C ATOM 102 OG SER A 10 6.650 -3.524 7.492 1.00 0.00 O ATOM 0 H SER A 10 6.796 -3.821 4.796 1.00 0.00 H new ATOM 0 HA SER A 10 9.556 -3.612 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.590 -3.759 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.251 -2.241 7.331 1.00 0.00 H new ATOM 0 HG SER A 10 6.445 -4.473 7.359 1.00 0.00 H new ATOM 108 N ARG A 11 9.231 -6.083 5.189 1.00 0.00 N ATOM 109 CA ARG A 11 9.260 -7.539 5.143 1.00 0.00 C ATOM 110 C ARG A 11 10.367 -8.032 4.215 1.00 0.00 C ATOM 111 O ARG A 11 10.803 -7.313 3.315 1.00 0.00 O ATOM 112 CB ARG A 11 7.909 -8.083 4.675 1.00 0.00 C ATOM 113 CG ARG A 11 7.573 -9.451 5.246 1.00 0.00 C ATOM 114 CD ARG A 11 6.866 -9.337 6.588 1.00 0.00 C ATOM 115 NE ARG A 11 7.810 -9.288 7.701 1.00 0.00 N ATOM 116 CZ ARG A 11 8.325 -10.369 8.275 1.00 0.00 C ATOM 117 NH1 ARG A 11 7.990 -11.577 7.843 1.00 0.00 N ATOM 118 NH2 ARG A 11 9.178 -10.243 9.284 1.00 0.00 N ATOM 0 H ARG A 11 9.849 -5.627 4.517 1.00 0.00 H new ATOM 0 HA ARG A 11 9.463 -7.905 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.126 -7.379 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.908 -8.143 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.939 -9.993 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.488 -10.032 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.248 -8.439 6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.196 -10.187 6.718 1.00 0.00 H new ATOM 0 HE ARG A 11 8.089 -8.374 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.335 -11.678 7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.387 -12.405 8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.438 -9.315 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.573 -11.074 9.724 1.00 0.00 H new ATOM 132 N PHE A 12 10.819 -9.261 4.442 1.00 0.00 N ATOM 133 CA PHE A 12 11.876 -9.849 3.628 1.00 0.00 C ATOM 134 C PHE A 12 11.654 -9.550 2.148 1.00 0.00 C ATOM 135 O PHE A 12 10.560 -9.159 1.739 1.00 0.00 O ATOM 136 CB PHE A 12 11.939 -11.361 3.850 1.00 0.00 C ATOM 137 CG PHE A 12 11.066 -12.142 2.910 1.00 0.00 C ATOM 138 CD1 PHE A 12 9.700 -11.910 2.858 1.00 0.00 C ATOM 139 CD2 PHE A 12 11.610 -13.107 2.078 1.00 0.00 C ATOM 140 CE1 PHE A 12 8.895 -12.628 1.994 1.00 0.00 C ATOM 141 CE2 PHE A 12 10.809 -13.828 1.212 1.00 0.00 C ATOM 142 CZ PHE A 12 9.450 -13.587 1.169 1.00 0.00 C ATOM 0 H PHE A 12 10.470 -9.869 5.183 1.00 0.00 H new ATOM 0 HA PHE A 12 12.823 -9.404 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.971 -11.694 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.644 -11.582 4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 12 9.260 -11.160 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.673 -13.298 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.832 -12.439 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.246 -14.579 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.822 -14.147 0.492 1.00 0.00 H new ATOM 152 N THR A 13 12.700 -9.736 1.349 1.00 0.00 N ATOM 153 CA THR A 13 12.620 -9.485 -0.085 1.00 0.00 C ATOM 154 C THR A 13 11.716 -10.501 -0.772 1.00 0.00 C ATOM 155 O THR A 13 11.520 -11.609 -0.272 1.00 0.00 O ATOM 156 CB THR A 13 14.013 -9.528 -0.741 1.00 0.00 C ATOM 157 OG1 THR A 13 13.937 -9.042 -2.085 1.00 0.00 O ATOM 158 CG2 THR A 13 14.568 -10.945 -0.739 1.00 0.00 C ATOM 0 H THR A 13 13.612 -10.060 1.670 1.00 0.00 H new ATOM 0 HA THR A 13 12.199 -8.487 -0.208 1.00 0.00 H new ATOM 0 HB THR A 13 14.683 -8.891 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.842 -8.920 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.552 -10.951 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.652 -11.301 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.897 -11.599 -1.296 1.00 0.00 H new ATOM 166 N TRP A 14 11.168 -10.118 -1.919 1.00 0.00 N ATOM 167 CA TRP A 14 10.284 -10.998 -2.675 1.00 0.00 C ATOM 168 C TRP A 14 10.822 -11.232 -4.083 1.00 0.00 C ATOM 169 O TRP A 14 11.327 -10.311 -4.725 1.00 0.00 O ATOM 170 CB TRP A 14 8.877 -10.402 -2.747 1.00 0.00 C ATOM 171 CG TRP A 14 8.009 -10.788 -1.587 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.561 -9.969 -0.591 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.486 -12.091 -1.305 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.792 -10.685 0.295 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.730 -11.988 -0.121 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.582 -13.333 -1.937 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.075 -13.081 0.441 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.933 -14.417 -1.378 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.186 -14.286 -0.199 1.00 0.00 C ATOM 0 H TRP A 14 11.320 -9.204 -2.346 1.00 0.00 H new ATOM 0 HA TRP A 14 10.239 -11.957 -2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.952 -9.315 -2.790 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.400 -10.725 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.779 -8.914 -0.511 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.340 -10.307 1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.154 -13.444 -2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.500 -12.981 1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.002 -15.382 -1.858 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.689 -15.152 0.212 1.00 0.00 H new ATOM 190 N ARG A 15 10.711 -12.469 -4.556 1.00 0.00 N ATOM 191 CA ARG A 15 11.188 -12.823 -5.887 1.00 0.00 C ATOM 192 C ARG A 15 10.049 -12.783 -6.902 1.00 0.00 C ATOM 193 O ARG A 15 8.901 -13.084 -6.574 1.00 0.00 O ATOM 194 CB ARG A 15 11.822 -14.215 -5.872 1.00 0.00 C ATOM 195 CG ARG A 15 12.724 -14.460 -4.673 1.00 0.00 C ATOM 196 CD ARG A 15 14.160 -14.055 -4.964 1.00 0.00 C ATOM 197 NE ARG A 15 14.411 -12.654 -4.636 1.00 0.00 N ATOM 198 CZ ARG A 15 15.627 -12.141 -4.484 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.697 -12.909 -4.631 1.00 0.00 N ATOM 200 NH2 ARG A 15 15.774 -10.856 -4.186 1.00 0.00 N ATOM 0 H ARG A 15 10.295 -13.242 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 15 11.940 -12.091 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.031 -14.965 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.401 -14.351 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.353 -13.898 -3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.690 -15.515 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.838 -14.688 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.378 -14.225 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 15 13.609 -12.036 -4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 15 16.588 -13.897 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.629 -12.512 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.953 -10.261 -4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.708 -10.463 -4.069 1.00 0.00 H new ATOM 214 N LYS A 16 10.374 -12.408 -8.134 1.00 0.00 N ATOM 215 CA LYS A 16 9.379 -12.329 -9.198 1.00 0.00 C ATOM 216 C LYS A 16 8.658 -13.662 -9.369 1.00 0.00 C ATOM 217 O LYS A 16 7.482 -13.699 -9.727 1.00 0.00 O ATOM 218 CB LYS A 16 10.043 -11.922 -10.515 1.00 0.00 C ATOM 219 CG LYS A 16 10.646 -10.529 -10.488 1.00 0.00 C ATOM 220 CD LYS A 16 10.618 -9.882 -11.863 1.00 0.00 C ATOM 221 CE LYS A 16 11.404 -8.580 -11.883 1.00 0.00 C ATOM 222 NZ LYS A 16 12.873 -8.820 -11.931 1.00 0.00 N ATOM 0 H LYS A 16 11.319 -12.154 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 16 8.645 -11.573 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.825 -12.642 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.305 -11.974 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.096 -9.907 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.675 -10.584 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.034 -10.570 -12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.586 -9.689 -12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.104 -7.988 -12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.160 -7.995 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.372 -7.909 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.169 -9.334 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.105 -9.385 -12.773 1.00 0.00 H new ATOM 236 N GLU A 17 9.372 -14.753 -9.110 1.00 0.00 N ATOM 237 CA GLU A 17 8.799 -16.088 -9.236 1.00 0.00 C ATOM 238 C GLU A 17 7.721 -16.319 -8.180 1.00 0.00 C ATOM 239 O GLU A 17 6.641 -16.827 -8.482 1.00 0.00 O ATOM 240 CB GLU A 17 9.891 -17.151 -9.106 1.00 0.00 C ATOM 241 CG GLU A 17 11.119 -16.869 -9.956 1.00 0.00 C ATOM 242 CD GLU A 17 10.857 -17.052 -11.438 1.00 0.00 C ATOM 243 OE1 GLU A 17 10.357 -16.101 -12.074 1.00 0.00 O ATOM 244 OE2 GLU A 17 11.153 -18.147 -11.962 1.00 0.00 O ATOM 0 H GLU A 17 10.347 -14.739 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 17 8.341 -16.167 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.192 -17.225 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.479 -18.120 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.456 -15.849 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.928 -17.531 -9.649 1.00 0.00 H new ATOM 251 N CYS A 18 8.023 -15.942 -6.943 1.00 0.00 N ATOM 252 CA CYS A 18 7.082 -16.108 -5.841 1.00 0.00 C ATOM 253 C CYS A 18 5.932 -15.113 -5.954 1.00 0.00 C ATOM 254 O CYS A 18 4.829 -15.364 -5.467 1.00 0.00 O ATOM 255 CB CYS A 18 7.797 -15.931 -4.501 1.00 0.00 C ATOM 256 SG CYS A 18 9.246 -16.991 -4.292 1.00 0.00 S ATOM 0 H CYS A 18 8.912 -15.519 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 18 6.672 -17.117 -5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.104 -14.890 -4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.092 -16.135 -3.695 1.00 0.00 H new ATOM 0 HG CYS A 18 8.973 -18.188 -4.718 1.00 0.00 H new ATOM 262 N LEU A 19 6.197 -13.981 -6.597 1.00 0.00 N ATOM 263 CA LEU A 19 5.184 -12.946 -6.772 1.00 0.00 C ATOM 264 C LEU A 19 4.169 -13.352 -7.835 1.00 0.00 C ATOM 265 O LEU A 19 2.971 -13.108 -7.689 1.00 0.00 O ATOM 266 CB LEU A 19 5.843 -11.621 -7.160 1.00 0.00 C ATOM 267 CG LEU A 19 6.672 -10.940 -6.070 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.256 -9.632 -6.583 1.00 0.00 C ATOM 269 CD2 LEU A 19 5.826 -10.698 -4.829 1.00 0.00 C ATOM 0 H LEU A 19 7.104 -13.757 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 19 4.660 -12.821 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.487 -11.797 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.063 -10.930 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 19 7.496 -11.601 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.843 -9.161 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.897 -9.832 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.447 -8.965 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.432 -10.213 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.982 -10.057 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.457 -11.651 -4.449 1.00 0.00 H new ATOM 281 N ALA A 20 4.655 -13.974 -8.904 1.00 0.00 N ATOM 282 CA ALA A 20 3.789 -14.417 -9.990 1.00 0.00 C ATOM 283 C ALA A 20 2.759 -15.426 -9.493 1.00 0.00 C ATOM 284 O ALA A 20 1.594 -15.383 -9.887 1.00 0.00 O ATOM 285 CB ALA A 20 4.619 -15.018 -11.115 1.00 0.00 C ATOM 0 H ALA A 20 5.644 -14.183 -9.041 1.00 0.00 H new ATOM 0 HA ALA A 20 3.253 -13.548 -10.373 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.960 -15.345 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.312 -14.268 -11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.180 -15.872 -10.737 1.00 0.00 H new ATOM 291 N VAL A 21 3.196 -16.333 -8.626 1.00 0.00 N ATOM 292 CA VAL A 21 2.311 -17.353 -8.075 1.00 0.00 C ATOM 293 C VAL A 21 1.320 -16.745 -7.089 1.00 0.00 C ATOM 294 O VAL A 21 0.146 -17.115 -7.066 1.00 0.00 O ATOM 295 CB VAL A 21 3.108 -18.464 -7.366 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.191 -19.611 -6.972 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.241 -18.957 -8.254 1.00 0.00 C ATOM 0 H VAL A 21 4.158 -16.383 -8.290 1.00 0.00 H new ATOM 0 HA VAL A 21 1.766 -17.786 -8.914 1.00 0.00 H new ATOM 0 HB VAL A 21 3.544 -18.050 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.772 -20.386 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.419 -19.244 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.724 -20.026 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.793 -19.742 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.830 -19.354 -9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.913 -18.129 -8.480 1.00 0.00 H new ATOM 307 N MET A 22 1.800 -15.811 -6.275 1.00 0.00 N ATOM 308 CA MET A 22 0.955 -15.150 -5.287 1.00 0.00 C ATOM 309 C MET A 22 -0.137 -14.331 -5.967 1.00 0.00 C ATOM 310 O MET A 22 -1.279 -14.302 -5.509 1.00 0.00 O ATOM 311 CB MET A 22 1.799 -14.247 -4.385 1.00 0.00 C ATOM 312 CG MET A 22 2.401 -14.972 -3.192 1.00 0.00 C ATOM 313 SD MET A 22 2.813 -13.857 -1.837 1.00 0.00 S ATOM 314 CE MET A 22 4.252 -13.027 -2.508 1.00 0.00 C ATOM 0 H MET A 22 2.770 -15.495 -6.280 1.00 0.00 H new ATOM 0 HA MET A 22 0.481 -15.920 -4.677 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.602 -13.806 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.180 -13.425 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.698 -15.725 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.300 -15.500 -3.509 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.759 -12.479 -1.714 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.933 -13.765 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.940 -12.331 -3.287 1.00 0.00 H new ATOM 324 N GLU A 23 0.221 -13.667 -7.062 1.00 0.00 N ATOM 325 CA GLU A 23 -0.729 -12.847 -7.803 1.00 0.00 C ATOM 326 C GLU A 23 -1.868 -13.699 -8.356 1.00 0.00 C ATOM 327 O GLU A 23 -3.024 -13.277 -8.369 1.00 0.00 O ATOM 328 CB GLU A 23 -0.023 -12.115 -8.946 1.00 0.00 C ATOM 329 CG GLU A 23 0.526 -10.754 -8.551 1.00 0.00 C ATOM 330 CD GLU A 23 1.444 -10.167 -9.606 1.00 0.00 C ATOM 331 OE1 GLU A 23 2.640 -10.525 -9.616 1.00 0.00 O ATOM 332 OE2 GLU A 23 0.966 -9.349 -10.420 1.00 0.00 O ATOM 0 H GLU A 23 1.162 -13.681 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.149 -12.112 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.795 -12.735 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.722 -11.989 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.303 -10.069 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.070 -10.845 -7.611 1.00 0.00 H new ATOM 339 N SER A 24 -1.531 -14.901 -8.813 1.00 0.00 N ATOM 340 CA SER A 24 -2.523 -15.812 -9.372 1.00 0.00 C ATOM 341 C SER A 24 -3.529 -16.239 -8.307 1.00 0.00 C ATOM 342 O SER A 24 -4.739 -16.206 -8.532 1.00 0.00 O ATOM 343 CB SER A 24 -1.838 -17.044 -9.966 1.00 0.00 C ATOM 344 OG SER A 24 -2.788 -17.939 -10.518 1.00 0.00 O ATOM 0 H SER A 24 -0.579 -15.266 -8.807 1.00 0.00 H new ATOM 0 HA SER A 24 -3.058 -15.286 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.133 -16.735 -10.738 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.262 -17.552 -9.193 1.00 0.00 H new ATOM 0 HG SER A 24 -2.325 -18.717 -10.893 1.00 0.00 H new ATOM 350 N TYR A 25 -3.019 -16.639 -7.148 1.00 0.00 N ATOM 351 CA TYR A 25 -3.871 -17.076 -6.048 1.00 0.00 C ATOM 352 C TYR A 25 -4.754 -15.933 -5.556 1.00 0.00 C ATOM 353 O TYR A 25 -5.879 -16.151 -5.106 1.00 0.00 O ATOM 354 CB TYR A 25 -3.019 -17.610 -4.896 1.00 0.00 C ATOM 355 CG TYR A 25 -2.724 -19.089 -4.996 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.932 -19.591 -6.022 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.237 -19.985 -4.066 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.659 -20.942 -6.118 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.968 -21.337 -4.154 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.179 -21.811 -5.181 1.00 0.00 C ATOM 361 OH TYR A 25 -1.911 -23.158 -5.273 1.00 0.00 O ATOM 0 H TYR A 25 -2.020 -16.670 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.514 -17.876 -6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.078 -17.061 -4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.532 -17.413 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.523 -18.913 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.856 -19.618 -3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.042 -21.316 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.374 -22.020 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.034 -23.289 -5.691 1.00 0.00 H new ATOM 371 N PHE A 26 -4.235 -14.713 -5.647 1.00 0.00 N ATOM 372 CA PHE A 26 -4.974 -13.534 -5.211 1.00 0.00 C ATOM 373 C PHE A 26 -6.154 -13.257 -6.139 1.00 0.00 C ATOM 374 O PHE A 26 -7.231 -12.865 -5.691 1.00 0.00 O ATOM 375 CB PHE A 26 -4.051 -12.315 -5.165 1.00 0.00 C ATOM 376 CG PHE A 26 -4.610 -11.169 -4.371 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.737 -10.491 -4.807 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.008 -10.768 -3.189 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.254 -9.436 -4.079 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.520 -9.715 -2.456 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.644 -9.047 -2.902 1.00 0.00 C ATOM 0 H PHE A 26 -3.306 -14.515 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.359 -13.728 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.093 -12.610 -4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.855 -11.979 -6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.217 -10.791 -5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.128 -11.285 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.134 -8.916 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.042 -9.414 -1.535 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.045 -8.222 -2.332 1.00 0.00 H new ATOM 391 N ASN A 27 -5.941 -13.464 -7.434 1.00 0.00 N ATOM 392 CA ASN A 27 -6.985 -13.237 -8.426 1.00 0.00 C ATOM 393 C ASN A 27 -8.170 -14.170 -8.193 1.00 0.00 C ATOM 394 O ASN A 27 -9.323 -13.783 -8.380 1.00 0.00 O ATOM 395 CB ASN A 27 -6.431 -13.441 -9.837 1.00 0.00 C ATOM 396 CG ASN A 27 -5.830 -12.173 -10.412 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.381 -11.576 -11.337 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.695 -11.755 -9.865 1.00 0.00 N ATOM 0 H ASN A 27 -5.055 -13.789 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.330 -12.208 -8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.672 -14.223 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.230 -13.790 -10.491 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.244 -10.907 -10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.273 -12.281 -9.100 1.00 0.00 H new ATOM 405 N GLU A 28 -7.876 -15.400 -7.783 1.00 0.00 N ATOM 406 CA GLU A 28 -8.917 -16.387 -7.524 1.00 0.00 C ATOM 407 C GLU A 28 -9.546 -16.168 -6.151 1.00 0.00 C ATOM 408 O GLU A 28 -10.737 -16.406 -5.958 1.00 0.00 O ATOM 409 CB GLU A 28 -8.342 -17.803 -7.614 1.00 0.00 C ATOM 410 CG GLU A 28 -7.458 -18.176 -6.436 1.00 0.00 C ATOM 411 CD GLU A 28 -7.292 -19.676 -6.283 1.00 0.00 C ATOM 412 OE1 GLU A 28 -7.359 -20.388 -7.306 1.00 0.00 O ATOM 413 OE2 GLU A 28 -7.096 -20.136 -5.139 1.00 0.00 O ATOM 0 H GLU A 28 -6.926 -15.736 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.691 -16.268 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.164 -18.516 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.765 -17.894 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.478 -17.717 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.886 -17.766 -5.521 1.00 0.00 H new ATOM 420 N ASN A 29 -8.735 -15.714 -5.201 1.00 0.00 N ATOM 421 CA ASN A 29 -9.211 -15.464 -3.846 1.00 0.00 C ATOM 422 C ASN A 29 -8.358 -14.403 -3.157 1.00 0.00 C ATOM 423 O ASN A 29 -7.132 -14.506 -3.120 1.00 0.00 O ATOM 424 CB ASN A 29 -9.193 -16.758 -3.029 1.00 0.00 C ATOM 425 CG ASN A 29 -10.194 -16.737 -1.890 1.00 0.00 C ATOM 426 OD1 ASN A 29 -11.090 -15.894 -1.852 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.045 -17.668 -0.955 1.00 0.00 N ATOM 0 H ASN A 29 -7.746 -15.512 -5.345 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.235 -15.097 -3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.410 -17.601 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.192 -16.917 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.688 -17.704 -0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.287 -18.347 -1.028 1.00 0.00 H new ATOM 434 N GLN A 30 -9.016 -13.384 -2.612 1.00 0.00 N ATOM 435 CA GLN A 30 -8.318 -12.304 -1.925 1.00 0.00 C ATOM 436 C GLN A 30 -7.662 -12.809 -0.644 1.00 0.00 C ATOM 437 O GLN A 30 -6.525 -12.451 -0.334 1.00 0.00 O ATOM 438 CB GLN A 30 -9.287 -11.166 -1.602 1.00 0.00 C ATOM 439 CG GLN A 30 -10.047 -10.651 -2.813 1.00 0.00 C ATOM 440 CD GLN A 30 -10.466 -9.202 -2.667 1.00 0.00 C ATOM 441 OE1 GLN A 30 -11.541 -8.904 -2.147 1.00 0.00 O ATOM 442 NE2 GLN A 30 -9.616 -8.291 -3.127 1.00 0.00 N ATOM 0 H GLN A 30 -10.031 -13.284 -2.633 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.538 -11.929 -2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.002 -11.510 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.730 -10.342 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.423 -10.757 -3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.932 -11.267 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.735 -8.583 -3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.844 -7.299 -3.056 1.00 0.00 H new ATOM 451 N TYR A 31 -8.386 -13.641 0.097 1.00 0.00 N ATOM 452 CA TYR A 31 -7.875 -14.192 1.347 1.00 0.00 C ATOM 453 C TYR A 31 -7.784 -15.713 1.273 1.00 0.00 C ATOM 454 O TYR A 31 -8.757 -16.431 1.506 1.00 0.00 O ATOM 455 CB TYR A 31 -8.772 -13.780 2.515 1.00 0.00 C ATOM 456 CG TYR A 31 -9.212 -12.334 2.459 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.107 -11.896 1.492 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.732 -11.406 3.376 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.511 -10.576 1.437 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.132 -10.084 3.329 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.021 -9.674 2.358 1.00 0.00 C ATOM 462 OH TYR A 31 -10.421 -8.359 2.308 1.00 0.00 O ATOM 0 H TYR A 31 -9.328 -13.948 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.874 -13.793 1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.655 -14.420 2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.239 -13.953 3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.494 -12.600 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.035 -11.723 4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.207 -10.252 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.750 -9.376 4.049 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.984 -7.857 3.027 1.00 0.00 H new ATOM 472 N PRO A 32 -6.586 -16.218 0.943 1.00 0.00 N ATOM 473 CA PRO A 32 -6.337 -17.658 0.833 1.00 0.00 C ATOM 474 C PRO A 32 -6.367 -18.358 2.188 1.00 0.00 C ATOM 475 O PRO A 32 -5.585 -18.034 3.082 1.00 0.00 O ATOM 476 CB PRO A 32 -4.934 -17.730 0.226 1.00 0.00 C ATOM 477 CG PRO A 32 -4.284 -16.449 0.620 1.00 0.00 C ATOM 478 CD PRO A 32 -5.382 -15.421 0.653 1.00 0.00 C ATOM 0 HA PRO A 32 -7.101 -18.159 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.381 -18.588 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.977 -17.835 -0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.804 -16.539 1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.509 -16.169 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.204 -14.668 1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.468 -14.894 -0.297 1.00 0.00 H new ATOM 486 N ASP A 33 -7.274 -19.318 2.332 1.00 0.00 N ATOM 487 CA ASP A 33 -7.405 -20.064 3.578 1.00 0.00 C ATOM 488 C ASP A 33 -6.053 -20.606 4.032 1.00 0.00 C ATOM 489 O ASP A 33 -5.046 -20.440 3.345 1.00 0.00 O ATOM 490 CB ASP A 33 -8.398 -21.215 3.406 1.00 0.00 C ATOM 491 CG ASP A 33 -9.578 -20.836 2.534 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.544 -20.248 3.065 1.00 0.00 O ATOM 493 OD2 ASP A 33 -9.536 -21.126 1.320 1.00 0.00 O ATOM 0 H ASP A 33 -7.929 -19.598 1.602 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.778 -19.383 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.885 -22.071 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.760 -21.528 4.385 1.00 0.00 H new ATOM 498 N GLU A 34 -6.040 -21.252 5.193 1.00 0.00 N ATOM 499 CA GLU A 34 -4.811 -21.816 5.739 1.00 0.00 C ATOM 500 C GLU A 34 -4.168 -22.781 4.748 1.00 0.00 C ATOM 501 O GLU A 34 -2.975 -22.689 4.459 1.00 0.00 O ATOM 502 CB GLU A 34 -5.096 -22.537 7.058 1.00 0.00 C ATOM 503 CG GLU A 34 -6.248 -21.935 7.844 1.00 0.00 C ATOM 504 CD GLU A 34 -6.127 -22.177 9.336 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.593 -23.237 9.804 1.00 0.00 O ATOM 506 OE2 GLU A 34 -5.566 -21.308 10.036 1.00 0.00 O ATOM 0 H GLU A 34 -6.866 -21.398 5.774 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.117 -20.996 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.317 -23.584 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.197 -22.518 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.289 -20.862 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.187 -22.358 7.486 1.00 0.00 H new ATOM 513 N ALA A 35 -4.967 -23.708 4.230 1.00 0.00 N ATOM 514 CA ALA A 35 -4.478 -24.690 3.270 1.00 0.00 C ATOM 515 C ALA A 35 -4.066 -24.021 1.963 1.00 0.00 C ATOM 516 O ALA A 35 -3.086 -24.420 1.332 1.00 0.00 O ATOM 517 CB ALA A 35 -5.538 -25.750 3.012 1.00 0.00 C ATOM 0 H ALA A 35 -5.957 -23.800 4.459 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.597 -25.170 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.159 -26.476 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.781 -26.257 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.435 -25.278 2.612 1.00 0.00 H new ATOM 523 N LYS A 36 -4.819 -23.003 1.561 1.00 0.00 N ATOM 524 CA LYS A 36 -4.532 -22.278 0.329 1.00 0.00 C ATOM 525 C LYS A 36 -3.174 -21.589 0.407 1.00 0.00 C ATOM 526 O LYS A 36 -2.407 -21.597 -0.556 1.00 0.00 O ATOM 527 CB LYS A 36 -5.626 -21.244 0.056 1.00 0.00 C ATOM 528 CG LYS A 36 -5.480 -20.544 -1.284 1.00 0.00 C ATOM 529 CD LYS A 36 -5.833 -21.468 -2.438 1.00 0.00 C ATOM 530 CE LYS A 36 -7.333 -21.500 -2.687 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.703 -22.516 -3.711 1.00 0.00 N ATOM 0 H LYS A 36 -5.633 -22.661 2.071 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.508 -22.997 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.598 -21.736 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.615 -20.497 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.126 -19.666 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.456 -20.190 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.320 -21.137 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.477 -22.475 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.852 -21.719 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.668 -20.516 -3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.677 -22.839 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.637 -22.093 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.053 -23.326 -3.647 1.00 0.00 H new ATOM 545 N ARG A 37 -2.882 -20.995 1.559 1.00 0.00 N ATOM 546 CA ARG A 37 -1.616 -20.301 1.762 1.00 0.00 C ATOM 547 C ARG A 37 -0.442 -21.270 1.651 1.00 0.00 C ATOM 548 O ARG A 37 0.603 -20.931 1.097 1.00 0.00 O ATOM 549 CB ARG A 37 -1.599 -19.616 3.130 1.00 0.00 C ATOM 550 CG ARG A 37 -2.396 -18.323 3.174 1.00 0.00 C ATOM 551 CD ARG A 37 -1.962 -17.440 4.333 1.00 0.00 C ATOM 552 NE ARG A 37 -2.721 -17.722 5.549 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.428 -18.713 6.385 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.400 -19.512 6.137 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.166 -18.906 7.471 1.00 0.00 N ATOM 0 H ARG A 37 -3.505 -20.980 2.366 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.516 -19.544 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.997 -20.304 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.566 -19.406 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.267 -17.783 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.458 -18.552 3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.900 -17.590 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.091 -16.393 4.059 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.519 -17.126 5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.831 -19.367 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.178 -20.272 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.959 -18.294 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.941 -19.667 8.112 1.00 0.00 H new ATOM 569 N GLU A 38 -0.623 -22.474 2.183 1.00 0.00 N ATOM 570 CA GLU A 38 0.422 -23.490 2.145 1.00 0.00 C ATOM 571 C GLU A 38 0.642 -23.992 0.720 1.00 0.00 C ATOM 572 O GLU A 38 1.768 -24.284 0.321 1.00 0.00 O ATOM 573 CB GLU A 38 0.059 -24.662 3.059 1.00 0.00 C ATOM 574 CG GLU A 38 0.467 -24.453 4.508 1.00 0.00 C ATOM 575 CD GLU A 38 -0.360 -25.282 5.472 1.00 0.00 C ATOM 576 OE1 GLU A 38 -0.502 -26.500 5.235 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.865 -24.713 6.462 1.00 0.00 O ATOM 0 H GLU A 38 -1.483 -22.770 2.645 1.00 0.00 H new ATOM 0 HA GLU A 38 1.347 -23.035 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.017 -24.827 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.537 -25.567 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.520 -24.709 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.365 -23.398 4.762 1.00 0.00 H new ATOM 584 N GLU A 39 -0.444 -24.088 -0.041 1.00 0.00 N ATOM 585 CA GLU A 39 -0.370 -24.555 -1.420 1.00 0.00 C ATOM 586 C GLU A 39 0.378 -23.553 -2.295 1.00 0.00 C ATOM 587 O GLU A 39 1.251 -23.927 -3.078 1.00 0.00 O ATOM 588 CB GLU A 39 -1.775 -24.787 -1.980 1.00 0.00 C ATOM 589 CG GLU A 39 -1.807 -25.718 -3.180 1.00 0.00 C ATOM 590 CD GLU A 39 -1.374 -27.130 -2.834 1.00 0.00 C ATOM 591 OE1 GLU A 39 -2.064 -27.780 -2.021 1.00 0.00 O ATOM 592 OE2 GLU A 39 -0.345 -27.584 -3.377 1.00 0.00 O ATOM 0 H GLU A 39 -1.384 -23.849 0.274 1.00 0.00 H new ATOM 0 HA GLU A 39 0.177 -25.498 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.407 -25.200 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.207 -23.827 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.817 -25.742 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.156 -25.323 -3.959 1.00 0.00 H new ATOM 599 N ILE A 40 0.029 -22.278 -2.155 1.00 0.00 N ATOM 600 CA ILE A 40 0.668 -21.223 -2.931 1.00 0.00 C ATOM 601 C ILE A 40 2.096 -20.978 -2.455 1.00 0.00 C ATOM 602 O ILE A 40 2.971 -20.624 -3.245 1.00 0.00 O ATOM 603 CB ILE A 40 -0.123 -19.904 -2.845 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.317 -18.947 -3.954 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.064 -19.262 -1.479 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.728 -18.430 -3.782 1.00 0.00 C ATOM 0 H ILE A 40 -0.692 -21.951 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 40 0.686 -21.560 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.182 -20.124 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.240 -19.457 -4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.370 -18.101 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.501 -18.331 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.294 -19.941 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.121 -19.053 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.972 -17.757 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.806 -17.891 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.425 -19.268 -3.780 1.00 0.00 H new ATOM 618 N ALA A 41 2.323 -21.170 -1.160 1.00 0.00 N ATOM 619 CA ALA A 41 3.646 -20.974 -0.580 1.00 0.00 C ATOM 620 C ALA A 41 4.627 -22.029 -1.079 1.00 0.00 C ATOM 621 O ALA A 41 5.762 -21.716 -1.434 1.00 0.00 O ATOM 622 CB ALA A 41 3.565 -21.002 0.939 1.00 0.00 C ATOM 0 H ALA A 41 1.608 -21.461 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 41 4.013 -19.997 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.560 -20.854 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.904 -20.206 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.173 -21.965 1.265 1.00 0.00 H new ATOM 628 N ASN A 42 4.180 -23.281 -1.103 1.00 0.00 N ATOM 629 CA ASN A 42 5.020 -24.383 -1.558 1.00 0.00 C ATOM 630 C ASN A 42 5.472 -24.164 -2.998 1.00 0.00 C ATOM 631 O ASN A 42 6.631 -24.400 -3.339 1.00 0.00 O ATOM 632 CB ASN A 42 4.263 -25.708 -1.445 1.00 0.00 C ATOM 633 CG ASN A 42 4.323 -26.290 -0.046 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.793 -27.411 0.153 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.845 -25.530 0.932 1.00 0.00 N ATOM 0 H ASN A 42 3.242 -23.557 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 42 5.904 -24.421 -0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.222 -25.554 -1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.682 -26.424 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.858 -25.869 1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.465 -24.607 0.721 1.00 0.00 H new ATOM 642 N ALA A 43 4.549 -23.711 -3.840 1.00 0.00 N ATOM 643 CA ALA A 43 4.853 -23.458 -5.243 1.00 0.00 C ATOM 644 C ALA A 43 5.938 -22.397 -5.387 1.00 0.00 C ATOM 645 O ALA A 43 6.793 -22.485 -6.269 1.00 0.00 O ATOM 646 CB ALA A 43 3.595 -23.033 -5.987 1.00 0.00 C ATOM 0 H ALA A 43 3.584 -23.512 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 43 5.226 -24.384 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.836 -22.847 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.849 -23.825 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.198 -22.122 -5.539 1.00 0.00 H new ATOM 652 N CYS A 44 5.899 -21.395 -4.515 1.00 0.00 N ATOM 653 CA CYS A 44 6.879 -20.315 -4.546 1.00 0.00 C ATOM 654 C CYS A 44 8.278 -20.843 -4.248 1.00 0.00 C ATOM 655 O CYS A 44 9.257 -20.415 -4.859 1.00 0.00 O ATOM 656 CB CYS A 44 6.504 -19.229 -3.537 1.00 0.00 C ATOM 657 SG CYS A 44 5.005 -18.311 -3.962 1.00 0.00 S ATOM 0 H CYS A 44 5.199 -21.308 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 44 6.878 -19.885 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.370 -19.689 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.334 -18.528 -3.449 1.00 0.00 H new ATOM 0 HG CYS A 44 4.770 -17.417 -3.048 1.00 0.00 H new ATOM 663 N ASN A 45 8.365 -21.774 -3.303 1.00 0.00 N ATOM 664 CA ASN A 45 9.646 -22.359 -2.922 1.00 0.00 C ATOM 665 C ASN A 45 10.210 -23.215 -4.051 1.00 0.00 C ATOM 666 O ASN A 45 11.423 -23.277 -4.250 1.00 0.00 O ATOM 667 CB ASN A 45 9.487 -23.203 -1.656 1.00 0.00 C ATOM 668 CG ASN A 45 9.476 -22.359 -0.396 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.411 -21.603 -0.134 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.414 -22.486 0.392 1.00 0.00 N ATOM 0 H ASN A 45 7.564 -22.139 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 45 10.345 -21.546 -2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.560 -23.773 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.302 -23.925 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.351 -21.944 1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.662 -23.125 0.135 1.00 0.00 H new ATOM 677 N ALA A 46 9.322 -23.875 -4.787 1.00 0.00 N ATOM 678 CA ALA A 46 9.731 -24.726 -5.897 1.00 0.00 C ATOM 679 C ALA A 46 10.269 -23.894 -7.057 1.00 0.00 C ATOM 680 O ALA A 46 11.326 -24.196 -7.612 1.00 0.00 O ATOM 681 CB ALA A 46 8.564 -25.587 -6.360 1.00 0.00 C ATOM 0 H ALA A 46 8.314 -23.836 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 46 10.533 -25.377 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.884 -26.218 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.226 -26.215 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.746 -24.945 -6.687 1.00 0.00 H new ATOM 687 N VAL A 47 9.536 -22.846 -7.418 1.00 0.00 N ATOM 688 CA VAL A 47 9.940 -21.971 -8.512 1.00 0.00 C ATOM 689 C VAL A 47 11.318 -21.371 -8.255 1.00 0.00 C ATOM 690 O VAL A 47 12.094 -21.152 -9.185 1.00 0.00 O ATOM 691 CB VAL A 47 8.927 -20.830 -8.722 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.649 -21.361 -9.354 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.630 -20.132 -7.404 1.00 0.00 C ATOM 0 H VAL A 47 8.659 -22.582 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 47 9.976 -22.585 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 47 9.364 -20.099 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.945 -20.541 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.880 -21.811 -10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.205 -22.112 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.913 -19.329 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.213 -20.850 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.552 -19.716 -6.997 1.00 0.00 H new ATOM 703 N ILE A 48 11.615 -21.107 -6.987 1.00 0.00 N ATOM 704 CA ILE A 48 12.900 -20.533 -6.607 1.00 0.00 C ATOM 705 C ILE A 48 13.936 -21.624 -6.359 1.00 0.00 C ATOM 706 O ILE A 48 15.117 -21.451 -6.660 1.00 0.00 O ATOM 707 CB ILE A 48 12.776 -19.661 -5.344 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.358 -20.517 -4.146 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.777 -18.537 -5.572 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.405 -19.775 -2.828 1.00 0.00 C ATOM 0 H ILE A 48 10.983 -21.281 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 48 13.225 -19.908 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 48 13.749 -19.218 -5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.346 -20.887 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.010 -21.388 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.701 -17.930 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.113 -17.914 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.801 -18.960 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.096 -20.443 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.421 -19.428 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.731 -18.919 -2.868 1.00 0.00 H new ATOM 722 N GLN A 49 13.486 -22.747 -5.809 1.00 0.00 N ATOM 723 CA GLN A 49 14.375 -23.866 -5.521 1.00 0.00 C ATOM 724 C GLN A 49 15.217 -24.221 -6.743 1.00 0.00 C ATOM 725 O GLN A 49 14.685 -24.489 -7.820 1.00 0.00 O ATOM 726 CB GLN A 49 13.566 -25.085 -5.073 1.00 0.00 C ATOM 727 CG GLN A 49 14.425 -26.288 -4.719 1.00 0.00 C ATOM 728 CD GLN A 49 13.744 -27.224 -3.741 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.585 -27.598 -3.926 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.461 -27.609 -2.692 1.00 0.00 N ATOM 0 H GLN A 49 12.511 -22.906 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 49 15.045 -23.567 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.963 -24.812 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.874 -25.364 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.670 -26.835 -5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.367 -25.944 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.418 -27.275 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.055 -28.239 -2.000 1.00 0.00 H new ATOM 739 N LYS A 50 16.534 -24.219 -6.568 1.00 0.00 N ATOM 740 CA LYS A 50 17.451 -24.542 -7.655 1.00 0.00 C ATOM 741 C LYS A 50 18.028 -25.943 -7.483 1.00 0.00 C ATOM 742 O LYS A 50 18.147 -26.459 -6.371 1.00 0.00 O ATOM 743 CB LYS A 50 18.584 -23.515 -7.714 1.00 0.00 C ATOM 744 CG LYS A 50 18.100 -22.077 -7.773 1.00 0.00 C ATOM 745 CD LYS A 50 17.463 -21.758 -9.115 1.00 0.00 C ATOM 746 CE LYS A 50 18.504 -21.339 -10.141 1.00 0.00 C ATOM 747 NZ LYS A 50 19.029 -19.972 -9.874 1.00 0.00 N ATOM 0 H LYS A 50 16.991 -23.997 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 50 16.892 -24.512 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.221 -23.639 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.201 -23.718 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.378 -21.902 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.938 -21.403 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.923 -22.632 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.731 -20.960 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.328 -22.052 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.064 -21.371 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.533 -19.623 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.238 -19.333 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.683 -20.003 -9.066 1.00 0.00 H new ATOM 761 N PRO A 51 18.397 -26.574 -8.607 1.00 0.00 N ATOM 762 CA PRO A 51 18.970 -27.923 -8.606 1.00 0.00 C ATOM 763 C PRO A 51 20.373 -27.957 -8.010 1.00 0.00 C ATOM 764 O PRO A 51 21.248 -27.193 -8.415 1.00 0.00 O ATOM 765 CB PRO A 51 19.010 -28.293 -10.090 1.00 0.00 C ATOM 766 CG PRO A 51 19.072 -26.987 -10.804 1.00 0.00 C ATOM 767 CD PRO A 51 18.284 -26.019 -9.966 1.00 0.00 C ATOM 0 HA PRO A 51 18.386 -28.613 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.877 -28.912 -10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.126 -28.861 -10.380 1.00 0.00 H new ATOM 0 HG2 PRO A 51 20.103 -26.654 -10.919 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.650 -27.069 -11.806 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.694 -25.011 -10.024 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.245 -25.959 -10.291 1.00 0.00 H new ATOM 775 N GLY A 52 20.581 -28.848 -7.045 1.00 0.00 N ATOM 776 CA GLY A 52 21.881 -28.964 -6.410 1.00 0.00 C ATOM 777 C GLY A 52 22.178 -27.803 -5.482 1.00 0.00 C ATOM 778 O GLY A 52 23.335 -27.541 -5.154 1.00 0.00 O ATOM 0 H GLY A 52 19.873 -29.491 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.925 -29.896 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.653 -29.019 -7.177 1.00 0.00 H new ATOM 782 N LYS A 53 21.131 -27.103 -5.058 1.00 0.00 N ATOM 783 CA LYS A 53 21.284 -25.963 -4.162 1.00 0.00 C ATOM 784 C LYS A 53 20.409 -26.123 -2.923 1.00 0.00 C ATOM 785 O LYS A 53 19.493 -26.945 -2.899 1.00 0.00 O ATOM 786 CB LYS A 53 20.925 -24.665 -4.890 1.00 0.00 C ATOM 787 CG LYS A 53 21.872 -24.322 -6.026 1.00 0.00 C ATOM 788 CD LYS A 53 21.852 -22.836 -6.340 1.00 0.00 C ATOM 789 CE LYS A 53 23.066 -22.422 -7.158 1.00 0.00 C ATOM 790 NZ LYS A 53 24.308 -22.408 -6.338 1.00 0.00 N ATOM 0 H LYS A 53 20.167 -27.306 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 53 22.326 -25.919 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.913 -24.748 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 53 20.921 -23.845 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.885 -24.625 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.593 -24.886 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.942 -22.591 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.827 -22.267 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.191 -23.109 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 53 22.899 -21.431 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.058 -21.902 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.122 -21.927 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.613 -23.385 -6.154 1.00 0.00 H new ATOM 804 N LYS A 54 20.696 -25.331 -1.896 1.00 0.00 N ATOM 805 CA LYS A 54 19.934 -25.382 -0.654 1.00 0.00 C ATOM 806 C LYS A 54 19.164 -24.084 -0.434 1.00 0.00 C ATOM 807 O LYS A 54 19.740 -22.995 -0.467 1.00 0.00 O ATOM 808 CB LYS A 54 20.867 -25.641 0.531 1.00 0.00 C ATOM 809 CG LYS A 54 20.143 -25.762 1.861 1.00 0.00 C ATOM 810 CD LYS A 54 20.009 -24.413 2.548 1.00 0.00 C ATOM 811 CE LYS A 54 21.339 -23.941 3.113 1.00 0.00 C ATOM 812 NZ LYS A 54 21.221 -22.612 3.774 1.00 0.00 N ATOM 0 H LYS A 54 21.451 -24.646 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 54 19.218 -26.200 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.428 -26.558 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.593 -24.831 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.153 -26.189 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 54 20.685 -26.450 2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.633 -23.677 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 54 19.276 -24.484 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.708 -24.672 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.074 -23.883 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.149 -22.326 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.893 -21.908 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.538 -22.673 4.556 1.00 0.00 H new ATOM 826 N LEU A 55 17.860 -24.205 -0.208 1.00 0.00 N ATOM 827 CA LEU A 55 17.011 -23.041 0.019 1.00 0.00 C ATOM 828 C LEU A 55 17.334 -22.384 1.357 1.00 0.00 C ATOM 829 O LEU A 55 17.601 -23.066 2.346 1.00 0.00 O ATOM 830 CB LEU A 55 15.537 -23.445 -0.022 1.00 0.00 C ATOM 831 CG LEU A 55 14.860 -23.379 -1.391 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.492 -24.041 -1.343 1.00 0.00 C ATOM 833 CD2 LEU A 55 14.740 -21.936 -1.858 1.00 0.00 C ATOM 0 H LEU A 55 17.368 -25.098 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 55 17.205 -22.320 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.450 -24.464 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.986 -22.803 0.665 1.00 0.00 H new ATOM 0 HG LEU A 55 15.478 -23.921 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.026 -23.984 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.603 -25.086 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.865 -23.528 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.256 -21.909 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.145 -21.370 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.734 -21.494 -1.933 1.00 0.00 H new ATOM 845 N SER A 56 17.306 -21.055 1.380 1.00 0.00 N ATOM 846 CA SER A 56 17.597 -20.306 2.597 1.00 0.00 C ATOM 847 C SER A 56 16.334 -19.648 3.145 1.00 0.00 C ATOM 848 O SER A 56 15.384 -19.391 2.405 1.00 0.00 O ATOM 849 CB SER A 56 18.663 -19.243 2.324 1.00 0.00 C ATOM 850 OG SER A 56 19.963 -19.748 2.575 1.00 0.00 O ATOM 0 H SER A 56 17.085 -20.475 0.570 1.00 0.00 H new ATOM 0 HA SER A 56 17.974 -21.005 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.592 -18.910 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.481 -18.371 2.952 1.00 0.00 H new ATOM 0 HG SER A 56 20.626 -19.050 2.391 1.00 0.00 H new ATOM 856 N ASP A 57 16.333 -19.377 4.445 1.00 0.00 N ATOM 857 CA ASP A 57 15.188 -18.747 5.094 1.00 0.00 C ATOM 858 C ASP A 57 14.829 -17.433 4.406 1.00 0.00 C ATOM 859 O ASP A 57 13.700 -16.954 4.511 1.00 0.00 O ATOM 860 CB ASP A 57 15.486 -18.498 6.573 1.00 0.00 C ATOM 861 CG ASP A 57 16.806 -17.784 6.785 1.00 0.00 C ATOM 862 OD1 ASP A 57 17.854 -18.463 6.793 1.00 0.00 O ATOM 863 OD2 ASP A 57 16.792 -16.545 6.945 1.00 0.00 O ATOM 0 H ASP A 57 17.112 -19.583 5.071 1.00 0.00 H new ATOM 0 HA ASP A 57 14.337 -19.424 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.681 -17.905 7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.502 -19.450 7.103 1.00 0.00 H new ATOM 868 N LEU A 58 15.798 -16.855 3.704 1.00 0.00 N ATOM 869 CA LEU A 58 15.585 -15.595 3.000 1.00 0.00 C ATOM 870 C LEU A 58 14.724 -15.804 1.758 1.00 0.00 C ATOM 871 O LEU A 58 13.942 -14.933 1.380 1.00 0.00 O ATOM 872 CB LEU A 58 16.926 -14.975 2.606 1.00 0.00 C ATOM 873 CG LEU A 58 17.685 -14.254 3.720 1.00 0.00 C ATOM 874 CD1 LEU A 58 18.556 -15.232 4.494 1.00 0.00 C ATOM 875 CD2 LEU A 58 18.529 -13.125 3.147 1.00 0.00 C ATOM 0 H LEU A 58 16.738 -17.239 3.607 1.00 0.00 H new ATOM 0 HA LEU A 58 15.061 -14.916 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.566 -15.764 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.752 -14.267 1.795 1.00 0.00 H new ATOM 0 HG LEU A 58 16.957 -13.824 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 58 19.088 -14.700 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.929 -16.005 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.276 -15.692 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.062 -12.623 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.248 -13.533 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.883 -12.409 2.639 1.00 0.00 H new ATOM 887 N GLU A 59 14.872 -16.967 1.131 1.00 0.00 N ATOM 888 CA GLU A 59 14.107 -17.290 -0.068 1.00 0.00 C ATOM 889 C GLU A 59 12.935 -18.208 0.267 1.00 0.00 C ATOM 890 O GLU A 59 12.012 -18.371 -0.533 1.00 0.00 O ATOM 891 CB GLU A 59 15.007 -17.954 -1.111 1.00 0.00 C ATOM 892 CG GLU A 59 16.259 -17.155 -1.432 1.00 0.00 C ATOM 893 CD GLU A 59 16.832 -17.490 -2.796 1.00 0.00 C ATOM 894 OE1 GLU A 59 16.040 -17.679 -3.743 1.00 0.00 O ATOM 895 OE2 GLU A 59 18.073 -17.564 -2.915 1.00 0.00 O ATOM 0 H GLU A 59 15.514 -17.700 1.433 1.00 0.00 H new ATOM 0 HA GLU A 59 13.713 -16.360 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.298 -18.941 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.437 -18.104 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.027 -16.091 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.013 -17.346 -0.668 1.00 0.00 H new ATOM 902 N ARG A 60 12.978 -18.805 1.453 1.00 0.00 N ATOM 903 CA ARG A 60 11.922 -19.708 1.893 1.00 0.00 C ATOM 904 C ARG A 60 10.601 -18.962 2.055 1.00 0.00 C ATOM 905 O ARG A 60 10.515 -17.986 2.801 1.00 0.00 O ATOM 906 CB ARG A 60 12.309 -20.375 3.214 1.00 0.00 C ATOM 907 CG ARG A 60 11.622 -21.711 3.447 1.00 0.00 C ATOM 908 CD ARG A 60 12.445 -22.610 4.356 1.00 0.00 C ATOM 909 NE ARG A 60 12.259 -22.278 5.767 1.00 0.00 N ATOM 910 CZ ARG A 60 11.131 -22.502 6.431 1.00 0.00 C ATOM 911 NH1 ARG A 60 10.094 -23.055 5.818 1.00 0.00 N ATOM 912 NH2 ARG A 60 11.039 -22.173 7.714 1.00 0.00 N ATOM 0 H ARG A 60 13.733 -18.680 2.127 1.00 0.00 H new ATOM 0 HA ARG A 60 11.794 -20.476 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.389 -20.523 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.065 -19.702 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.640 -21.544 3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.459 -22.209 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.165 -23.650 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.500 -22.519 4.098 1.00 0.00 H new ATOM 0 HE ARG A 60 13.038 -21.851 6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.161 -23.310 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.229 -23.225 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.835 -21.748 8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.172 -22.345 8.224 1.00 0.00 H new ATOM 926 N VAL A 61 9.574 -19.426 1.351 1.00 0.00 N ATOM 927 CA VAL A 61 8.257 -18.803 1.417 1.00 0.00 C ATOM 928 C VAL A 61 7.295 -19.640 2.253 1.00 0.00 C ATOM 929 O VAL A 61 6.682 -20.585 1.756 1.00 0.00 O ATOM 930 CB VAL A 61 7.659 -18.604 0.012 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.240 -18.065 0.107 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.537 -17.676 -0.813 1.00 0.00 C ATOM 0 H VAL A 61 9.628 -20.232 0.728 1.00 0.00 H new ATOM 0 HA VAL A 61 8.391 -17.829 1.888 1.00 0.00 H new ATOM 0 HB VAL A 61 7.621 -19.571 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.834 -17.931 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.619 -18.771 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.249 -17.107 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.100 -17.546 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.609 -16.707 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.533 -18.108 -0.910 1.00 0.00 H new ATOM 942 N THR A 62 7.165 -19.285 3.528 1.00 0.00 N ATOM 943 CA THR A 62 6.278 -20.003 4.435 1.00 0.00 C ATOM 944 C THR A 62 4.845 -19.498 4.315 1.00 0.00 C ATOM 945 O THR A 62 4.586 -18.483 3.670 1.00 0.00 O ATOM 946 CB THR A 62 6.739 -19.865 5.898 1.00 0.00 C ATOM 947 OG1 THR A 62 6.696 -18.491 6.298 1.00 0.00 O ATOM 948 CG2 THR A 62 8.150 -20.406 6.074 1.00 0.00 C ATOM 0 H THR A 62 7.663 -18.504 3.956 1.00 0.00 H new ATOM 0 HA THR A 62 6.315 -21.054 4.149 1.00 0.00 H new ATOM 0 HB THR A 62 6.063 -20.446 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.989 -18.412 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.454 -20.298 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.173 -21.460 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.836 -19.848 5.436 1.00 0.00 H new ATOM 956 N SER A 63 3.916 -20.213 4.943 1.00 0.00 N ATOM 957 CA SER A 63 2.507 -19.838 4.904 1.00 0.00 C ATOM 958 C SER A 63 2.306 -18.427 5.446 1.00 0.00 C ATOM 959 O SER A 63 1.522 -17.647 4.903 1.00 0.00 O ATOM 960 CB SER A 63 1.671 -20.832 5.713 1.00 0.00 C ATOM 961 OG SER A 63 1.953 -20.726 7.098 1.00 0.00 O ATOM 0 H SER A 63 4.114 -21.055 5.484 1.00 0.00 H new ATOM 0 HA SER A 63 2.179 -19.859 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.611 -20.647 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.877 -21.847 5.373 1.00 0.00 H new ATOM 0 HG SER A 63 1.405 -21.370 7.594 1.00 0.00 H new ATOM 967 N LEU A 64 3.018 -18.105 6.520 1.00 0.00 N ATOM 968 CA LEU A 64 2.919 -16.787 7.137 1.00 0.00 C ATOM 969 C LEU A 64 3.442 -15.705 6.198 1.00 0.00 C ATOM 970 O LEU A 64 2.853 -14.629 6.082 1.00 0.00 O ATOM 971 CB LEU A 64 3.699 -16.757 8.452 1.00 0.00 C ATOM 972 CG LEU A 64 3.939 -15.375 9.060 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.617 -14.714 9.420 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.836 -15.479 10.284 1.00 0.00 C ATOM 0 H LEU A 64 3.670 -18.739 6.982 1.00 0.00 H new ATOM 0 HA LEU A 64 1.867 -16.588 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.164 -17.365 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.666 -17.232 8.288 1.00 0.00 H new ATOM 0 HG LEU A 64 4.442 -14.755 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.807 -13.731 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.009 -14.605 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.087 -15.332 10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.996 -14.486 10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.361 -16.116 11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.795 -15.910 9.997 1.00 0.00 H new ATOM 986 N LYS A 65 4.551 -15.997 5.526 1.00 0.00 N ATOM 987 CA LYS A 65 5.153 -15.052 4.594 1.00 0.00 C ATOM 988 C LYS A 65 4.167 -14.669 3.495 1.00 0.00 C ATOM 989 O LYS A 65 4.074 -13.503 3.108 1.00 0.00 O ATOM 990 CB LYS A 65 6.417 -15.650 3.973 1.00 0.00 C ATOM 991 CG LYS A 65 7.681 -15.353 4.762 1.00 0.00 C ATOM 992 CD LYS A 65 8.922 -15.480 3.894 1.00 0.00 C ATOM 993 CE LYS A 65 10.187 -15.540 4.737 1.00 0.00 C ATOM 994 NZ LYS A 65 10.753 -14.185 4.984 1.00 0.00 N ATOM 0 H LYS A 65 5.051 -16.882 5.610 1.00 0.00 H new ATOM 0 HA LYS A 65 5.419 -14.153 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.295 -16.730 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.532 -15.264 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.626 -14.345 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.754 -16.039 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.849 -16.379 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.978 -14.632 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.966 -16.021 5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.930 -16.158 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.574 -14.262 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.050 -13.763 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.030 -13.582 5.426 1.00 0.00 H new ATOM 1008 N VAL A 66 3.431 -15.657 2.996 1.00 0.00 N ATOM 1009 CA VAL A 66 2.450 -15.423 1.943 1.00 0.00 C ATOM 1010 C VAL A 66 1.321 -14.524 2.434 1.00 0.00 C ATOM 1011 O VAL A 66 0.888 -13.611 1.729 1.00 0.00 O ATOM 1012 CB VAL A 66 1.852 -16.746 1.429 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.792 -16.478 0.371 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.947 -17.649 0.882 1.00 0.00 C ATOM 0 H VAL A 66 3.496 -16.627 3.304 1.00 0.00 H new ATOM 0 HA VAL A 66 2.975 -14.929 1.125 1.00 0.00 H new ATOM 0 HB VAL A 66 1.375 -17.258 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.381 -17.424 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.006 -15.873 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.241 -15.944 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.506 -18.579 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.455 -17.147 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.666 -17.869 1.672 1.00 0.00 H new ATOM 1024 N TYR A 67 0.847 -14.788 3.647 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.234 -14.004 4.232 1.00 0.00 C ATOM 1026 C TYR A 67 0.180 -12.545 4.399 1.00 0.00 C ATOM 1027 O TYR A 67 -0.624 -11.634 4.207 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.641 -14.588 5.586 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.886 -13.959 6.168 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.092 -13.991 5.478 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.857 -13.332 7.407 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.232 -13.417 6.006 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.993 -12.756 7.943 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.177 -12.800 7.239 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.311 -12.228 7.768 1.00 0.00 O ATOM 0 H TYR A 67 1.194 -15.539 4.244 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.087 -14.046 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.804 -15.660 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.182 -14.461 6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.139 -14.473 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.931 -13.294 7.961 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.161 -13.451 5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.953 -12.274 8.909 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.103 -11.837 8.642 1.00 0.00 H new ATOM 1045 N ASN A 68 1.442 -12.332 4.759 1.00 0.00 N ATOM 1046 CA ASN A 68 1.964 -10.984 4.952 1.00 0.00 C ATOM 1047 C ASN A 68 1.913 -10.189 3.651 1.00 0.00 C ATOM 1048 O ASN A 68 1.520 -9.022 3.641 1.00 0.00 O ATOM 1049 CB ASN A 68 3.403 -11.042 5.471 1.00 0.00 C ATOM 1050 CG ASN A 68 3.470 -11.080 6.985 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.982 -10.175 7.662 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.077 -12.132 7.524 1.00 0.00 N ATOM 0 H ASN A 68 2.121 -13.075 4.923 1.00 0.00 H new ATOM 0 HA ASN A 68 1.338 -10.481 5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.897 -11.925 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.953 -10.174 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.153 -12.213 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.467 -12.859 6.924 1.00 0.00 H new ATOM 1059 N TRP A 69 2.310 -10.828 2.557 1.00 0.00 N ATOM 1060 CA TRP A 69 2.309 -10.180 1.250 1.00 0.00 C ATOM 1061 C TRP A 69 0.886 -9.879 0.794 1.00 0.00 C ATOM 1062 O TRP A 69 0.598 -8.785 0.307 1.00 0.00 O ATOM 1063 CB TRP A 69 3.012 -11.065 0.219 1.00 0.00 C ATOM 1064 CG TRP A 69 3.031 -10.472 -1.157 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.053 -9.772 -1.733 1.00 0.00 C ATOM 1066 CD2 TRP A 69 1.981 -10.525 -2.128 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.700 -9.387 -3.004 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.435 -9.838 -3.271 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.702 -11.089 -2.145 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.654 -9.699 -4.415 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 -0.072 -10.950 -3.281 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.406 -10.261 -4.404 1.00 0.00 C ATOM 0 H TRP A 69 2.637 -11.794 2.548 1.00 0.00 H new ATOM 0 HA TRP A 69 2.850 -9.238 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.037 -11.245 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.514 -12.034 0.183 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.999 -9.553 -1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.286 -8.852 -3.645 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.326 -11.624 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.020 -9.167 -5.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.063 -11.380 -3.304 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.223 -10.172 -5.278 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.002 -10.855 0.955 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.396 -10.693 0.558 1.00 0.00 C ATOM 1085 C PHE A 70 -2.047 -9.540 1.317 1.00 0.00 C ATOM 1086 O PHE A 70 -2.689 -8.675 0.722 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.173 -11.987 0.809 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.167 -12.926 -0.363 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.989 -13.523 -0.784 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.339 -13.212 -1.045 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.980 -14.388 -1.862 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.336 -14.077 -2.123 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.155 -14.665 -2.533 1.00 0.00 C ATOM 0 H PHE A 70 0.219 -11.766 1.357 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.420 -10.463 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.747 -12.495 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.204 -11.739 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.067 -13.310 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.265 -12.754 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.055 -14.847 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.257 -14.293 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.151 -15.340 -3.376 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.877 -9.536 2.635 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.446 -8.491 3.476 1.00 0.00 C ATOM 1105 C ALA A 71 -1.969 -7.111 3.034 1.00 0.00 C ATOM 1106 O ALA A 71 -2.723 -6.140 3.079 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.088 -8.733 4.934 1.00 0.00 C ATOM 0 H ALA A 71 -1.349 -10.246 3.143 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.530 -8.524 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.520 -7.945 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.483 -9.698 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.004 -8.730 5.048 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.713 -7.032 2.608 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.136 -5.771 2.159 1.00 0.00 C ATOM 1115 C ASN A 72 -0.827 -5.276 0.892 1.00 0.00 C ATOM 1116 O ASN A 72 -1.043 -4.077 0.718 1.00 0.00 O ATOM 1117 CB ASN A 72 1.364 -5.934 1.904 1.00 0.00 C ATOM 1118 CG ASN A 72 2.110 -4.615 1.975 1.00 0.00 C ATOM 1119 OD1 ASN A 72 2.998 -4.435 2.808 1.00 0.00 O ATOM 1120 ND2 ASN A 72 1.750 -3.685 1.098 1.00 0.00 N ATOM 0 H ASN A 72 -0.075 -7.827 2.564 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.286 -5.032 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.781 -6.624 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.516 -6.382 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.215 -2.777 1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.008 -3.878 0.425 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.172 -6.209 0.010 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.838 -5.868 -1.241 1.00 0.00 C ATOM 1129 C ARG A 73 -3.290 -5.470 -0.993 1.00 0.00 C ATOM 1130 O ARG A 73 -3.792 -4.514 -1.585 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.782 -7.049 -2.212 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.727 -6.912 -3.394 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.245 -5.854 -4.373 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.276 -5.496 -5.344 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.023 -4.866 -6.486 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -1.781 -4.527 -6.798 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.015 -4.575 -7.318 1.00 0.00 N ATOM 0 H ARG A 73 -1.001 -7.206 0.139 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.316 -5.019 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.763 -7.155 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.021 -7.965 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.813 -7.871 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.723 -6.651 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.940 -4.964 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.364 -6.221 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.243 -5.743 -5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.016 -4.750 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.589 -4.043 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.972 -4.835 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.820 -4.091 -8.195 1.00 0.00 H new ATOM 1151 N ARG A 74 -3.959 -6.209 -0.114 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.354 -5.934 0.211 1.00 0.00 C ATOM 1153 C ARG A 74 -5.516 -4.516 0.751 1.00 0.00 C ATOM 1154 O ARG A 74 -6.419 -3.784 0.345 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.870 -6.944 1.237 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.868 -8.378 0.733 1.00 0.00 C ATOM 1157 CD ARG A 74 -6.979 -9.195 1.376 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.640 -9.605 2.736 1.00 0.00 N ATOM 1159 CZ ARG A 74 -5.917 -10.682 3.020 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.458 -11.454 2.044 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.650 -10.990 4.283 1.00 0.00 N ATOM 0 H ARG A 74 -3.558 -7.003 0.386 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.939 -6.026 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.256 -6.883 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.885 -6.670 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.990 -8.385 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.904 -8.839 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.897 -8.608 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.176 -10.079 0.770 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.977 -9.033 3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.660 -11.221 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.903 -12.281 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.000 -10.399 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.095 -11.818 4.500 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.637 -4.134 1.671 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.681 -2.805 2.268 1.00 0.00 C ATOM 1177 C LYS A 75 -4.296 -1.738 1.248 1.00 0.00 C ATOM 1178 O LYS A 75 -4.875 -0.652 1.224 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.743 -2.733 3.475 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.275 -2.888 3.115 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.390 -2.834 4.349 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.526 -4.095 5.188 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.438 -4.210 6.198 1.00 0.00 N ATOM 0 H LYS A 75 -3.884 -4.727 2.020 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.703 -2.616 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.886 -1.777 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.018 -3.512 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.124 -3.836 2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.984 -2.098 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.350 -2.707 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.656 -1.965 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.492 -4.092 5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.510 -4.968 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.567 -5.083 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.483 -4.238 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.469 -3.390 6.836 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.316 -2.055 0.407 1.00 0.00 N ATOM 1198 CA GLU A 76 -2.855 -1.122 -0.615 1.00 0.00 C ATOM 1199 C GLU A 76 -3.995 -0.736 -1.553 1.00 0.00 C ATOM 1200 O GLU A 76 -4.162 0.435 -1.895 1.00 0.00 O ATOM 1201 CB GLU A 76 -1.706 -1.737 -1.417 1.00 0.00 C ATOM 1202 CG GLU A 76 -0.712 -0.713 -1.938 1.00 0.00 C ATOM 1203 CD GLU A 76 -1.375 0.382 -2.751 1.00 0.00 C ATOM 1204 OE1 GLU A 76 -2.258 0.058 -3.572 1.00 0.00 O ATOM 1205 OE2 GLU A 76 -1.010 1.562 -2.567 1.00 0.00 O ATOM 0 H GLU A 76 -2.826 -2.950 0.413 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.498 -0.222 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.179 -2.455 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.118 -2.292 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.182 -0.266 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.034 -1.216 -2.553 1.00 0.00 H new ATOM 1212 N ILE A 77 -4.776 -1.729 -1.965 1.00 0.00 N ATOM 1213 CA ILE A 77 -5.900 -1.494 -2.862 1.00 0.00 C ATOM 1214 C ILE A 77 -7.032 -0.765 -2.147 1.00 0.00 C ATOM 1215 O ILE A 77 -7.720 0.068 -2.737 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.442 -2.813 -3.444 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -6.836 -3.769 -2.316 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.405 -3.457 -4.352 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.542 -5.017 -2.800 1.00 0.00 C ATOM 0 H ILE A 77 -4.651 -2.704 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.528 -0.872 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.330 -2.594 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.940 -4.058 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.484 -3.243 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.803 -4.388 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.167 -2.779 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.501 -3.666 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.791 -5.648 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.456 -4.738 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.888 -5.565 -3.478 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.218 -1.081 -0.870 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.264 -0.455 -0.070 1.00 0.00 C ATOM 1233 C LYS A 78 -8.003 1.039 0.093 1.00 0.00 C ATOM 1234 O LYS A 78 -8.929 1.850 0.044 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.352 -1.121 1.305 1.00 0.00 C ATOM 1236 CG LYS A 78 -9.411 -0.513 2.208 1.00 0.00 C ATOM 1237 CD LYS A 78 -8.862 0.663 2.998 1.00 0.00 C ATOM 1238 CE LYS A 78 -9.718 0.963 4.219 1.00 0.00 C ATOM 1239 NZ LYS A 78 -9.658 2.401 4.599 1.00 0.00 N ATOM 0 H LYS A 78 -6.657 -1.768 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.212 -0.586 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.565 -2.182 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.382 -1.049 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.258 -0.184 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.784 -1.272 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.841 0.446 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.818 1.544 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.752 0.684 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.382 0.352 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.578 2.698 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.922 2.539 5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.431 2.973 3.760 1.00 0.00 H new ATOM 1253 N ARG A 79 -6.738 1.397 0.284 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.355 2.793 0.454 1.00 0.00 C ATOM 1255 C ARG A 79 -6.735 3.614 -0.775 1.00 0.00 C ATOM 1256 O ARG A 79 -7.229 4.735 -0.656 1.00 0.00 O ATOM 1257 CB ARG A 79 -4.851 2.905 0.710 1.00 0.00 C ATOM 1258 CG ARG A 79 -4.444 4.202 1.389 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.088 4.075 2.066 1.00 0.00 C ATOM 1260 NE ARG A 79 -1.987 4.273 1.127 1.00 0.00 N ATOM 1261 CZ ARG A 79 -1.575 5.468 0.718 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -2.169 6.566 1.164 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -0.566 5.566 -0.138 1.00 0.00 N ATOM 0 H ARG A 79 -5.960 0.739 0.325 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.893 3.189 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.533 2.066 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.322 2.820 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.410 5.005 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.196 4.479 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.014 4.807 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.002 3.089 2.523 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.508 3.448 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.944 6.495 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.851 7.482 0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.106 4.723 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.250 6.484 -0.451 1.00 0.00 H new ATOM 1277 N ARG A 80 -6.501 3.047 -1.954 1.00 0.00 N ATOM 1278 CA ARG A 80 -6.817 3.727 -3.205 1.00 0.00 C ATOM 1279 C ARG A 80 -8.326 3.793 -3.421 1.00 0.00 C ATOM 1280 O ARG A 80 -8.834 4.727 -4.042 1.00 0.00 O ATOM 1281 CB ARG A 80 -6.153 3.010 -4.381 1.00 0.00 C ATOM 1282 CG ARG A 80 -6.079 3.852 -5.645 1.00 0.00 C ATOM 1283 CD ARG A 80 -5.218 3.188 -6.707 1.00 0.00 C ATOM 1284 NE ARG A 80 -5.936 2.129 -7.411 1.00 0.00 N ATOM 1285 CZ ARG A 80 -6.007 0.876 -6.977 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -5.408 0.527 -5.846 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -6.680 -0.032 -7.673 1.00 0.00 N ATOM 0 H ARG A 80 -6.094 2.119 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.431 4.745 -3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.144 2.714 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.705 2.095 -4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.084 4.011 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.671 4.834 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.884 3.938 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.324 2.772 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.409 2.365 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.891 1.222 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.464 -0.436 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.143 0.232 -8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.734 -0.994 -7.339 1.00 0.00 H new ATOM 1301 N ALA A 81 -9.037 2.795 -2.906 1.00 0.00 N ATOM 1302 CA ALA A 81 -10.487 2.740 -3.042 1.00 0.00 C ATOM 1303 C ALA A 81 -11.165 3.727 -2.096 1.00 0.00 C ATOM 1304 O ALA A 81 -12.318 4.104 -2.300 1.00 0.00 O ATOM 1305 CB ALA A 81 -10.989 1.328 -2.782 1.00 0.00 C ATOM 0 H ALA A 81 -8.632 2.014 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.742 3.022 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.074 1.302 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.538 0.644 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.715 1.025 -1.771 1.00 0.00 H new ATOM 1311 N ASN A 82 -10.440 4.140 -1.061 1.00 0.00 N ATOM 1312 CA ASN A 82 -10.973 5.081 -0.083 1.00 0.00 C ATOM 1313 C ASN A 82 -10.592 6.514 -0.444 1.00 0.00 C ATOM 1314 O ASN A 82 -11.458 7.350 -0.703 1.00 0.00 O ATOM 1315 CB ASN A 82 -10.456 4.742 1.316 1.00 0.00 C ATOM 1316 CG ASN A 82 -11.437 5.130 2.405 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -11.954 6.248 2.421 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -11.698 4.207 3.324 1.00 0.00 N ATOM 0 H ASN A 82 -9.483 3.838 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.060 4.999 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.255 3.672 1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.509 5.255 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.350 4.412 4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.247 3.294 3.272 1.00 0.00 H new ATOM 1325 N ILE A 83 -9.292 6.789 -0.459 1.00 0.00 N ATOM 1326 CA ILE A 83 -8.797 8.119 -0.790 1.00 0.00 C ATOM 1327 C ILE A 83 -9.816 9.192 -0.423 1.00 0.00 C ATOM 1328 O ILE A 83 -10.133 10.065 -1.231 1.00 0.00 O ATOM 1329 CB ILE A 83 -8.461 8.238 -2.289 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -7.550 7.088 -2.722 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -7.805 9.580 -2.579 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -6.215 7.073 -2.011 1.00 0.00 C ATOM 0 H ILE A 83 -8.563 6.108 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.888 8.271 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.387 8.177 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.060 6.142 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.379 7.155 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.573 9.650 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.486 10.385 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.885 9.668 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.622 6.231 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.684 8.003 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.376 6.974 -0.937 1.00 0.00 H new ATOM 1344 N ALA A 84 -10.325 9.122 0.803 1.00 0.00 N ATOM 1345 CA ALA A 84 -11.306 10.090 1.279 1.00 0.00 C ATOM 1346 C ALA A 84 -10.626 11.360 1.778 1.00 0.00 C ATOM 1347 O ALA A 84 -11.056 11.960 2.763 1.00 0.00 O ATOM 1348 CB ALA A 84 -12.159 9.478 2.381 1.00 0.00 C ATOM 0 H ALA A 84 -10.074 8.405 1.484 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.951 10.359 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.887 10.211 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -12.681 8.603 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.520 9.180 3.213 1.00 0.00 H new ATOM 1354 N ALA A 85 -9.561 11.764 1.093 1.00 0.00 N ATOM 1355 CA ALA A 85 -8.823 12.964 1.466 1.00 0.00 C ATOM 1356 C ALA A 85 -9.741 14.181 1.514 1.00 0.00 C ATOM 1357 O ALA A 85 -10.384 14.524 0.522 1.00 0.00 O ATOM 1358 CB ALA A 85 -7.678 13.203 0.493 1.00 0.00 C ATOM 0 H ALA A 85 -9.190 11.278 0.277 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.412 12.812 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.135 14.103 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.001 12.349 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.076 13.329 -0.514 1.00 0.00 H new ATOM 1364 N ILE A 86 -9.797 14.828 2.673 1.00 0.00 N ATOM 1365 CA ILE A 86 -10.636 16.007 2.850 1.00 0.00 C ATOM 1366 C ILE A 86 -9.793 17.274 2.935 1.00 0.00 C ATOM 1367 O ILE A 86 -10.152 18.311 2.376 1.00 0.00 O ATOM 1368 CB ILE A 86 -11.505 15.895 4.117 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -12.401 14.657 4.040 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -12.343 17.152 4.297 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -13.360 14.678 2.870 1.00 0.00 C ATOM 0 H ILE A 86 -9.271 14.556 3.504 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.287 16.065 1.977 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.849 15.792 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.774 13.768 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.971 14.573 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.952 17.058 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -11.686 18.017 4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.992 17.283 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.963 13.770 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.012 15.548 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.796 14.731 1.939 1.00 0.00 H new ATOM 1383 N LEU A 87 -8.669 17.184 3.637 1.00 0.00 N ATOM 1384 CA LEU A 87 -7.772 18.324 3.795 1.00 0.00 C ATOM 1385 C LEU A 87 -7.386 18.904 2.438 1.00 0.00 C ATOM 1386 O LEU A 87 -7.347 18.192 1.436 1.00 0.00 O ATOM 1387 CB LEU A 87 -6.515 17.906 4.560 1.00 0.00 C ATOM 1388 CG LEU A 87 -5.387 18.938 4.612 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -4.566 18.766 5.881 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -4.501 18.822 3.381 1.00 0.00 C ATOM 0 H LEU A 87 -8.357 16.334 4.106 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.296 19.093 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.801 17.658 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.125 16.994 4.108 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.830 19.934 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.768 19.508 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.209 18.900 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.132 17.766 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.704 19.564 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.065 17.824 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.098 18.995 2.486 1.00 0.00 H new ATOM 1402 N GLU A 88 -7.099 20.202 2.416 1.00 0.00 N ATOM 1403 CA GLU A 88 -6.714 20.878 1.182 1.00 0.00 C ATOM 1404 C GLU A 88 -5.281 20.528 0.794 1.00 0.00 C ATOM 1405 O GLU A 88 -4.335 21.209 1.192 1.00 0.00 O ATOM 1406 CB GLU A 88 -6.857 22.393 1.338 1.00 0.00 C ATOM 1407 CG GLU A 88 -6.364 23.178 0.134 1.00 0.00 C ATOM 1408 CD GLU A 88 -7.328 23.120 -1.035 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -8.289 23.916 -1.052 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -7.120 22.277 -1.932 1.00 0.00 O ATOM 0 H GLU A 88 -7.126 20.806 3.238 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.380 20.538 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.905 22.634 1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.304 22.713 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.210 24.218 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.396 22.787 -0.179 1.00 0.00 H new ATOM 1417 N SER A 89 -5.128 19.461 0.016 1.00 0.00 N ATOM 1418 CA SER A 89 -3.810 19.017 -0.422 1.00 0.00 C ATOM 1419 C SER A 89 -3.790 18.781 -1.929 1.00 0.00 C ATOM 1420 O SER A 89 -4.799 18.400 -2.523 1.00 0.00 O ATOM 1421 CB SER A 89 -3.409 17.736 0.312 1.00 0.00 C ATOM 1422 OG SER A 89 -2.258 17.152 -0.273 1.00 0.00 O ATOM 0 H SER A 89 -5.900 18.888 -0.324 1.00 0.00 H new ATOM 0 HA SER A 89 -3.092 19.802 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.214 17.960 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.235 17.025 0.286 1.00 0.00 H new ATOM 0 HG SER A 89 -2.021 16.336 0.215 1.00 0.00 H new ATOM 1428 N SER A 90 -2.633 19.010 -2.543 1.00 0.00 N ATOM 1429 CA SER A 90 -2.480 18.827 -3.981 1.00 0.00 C ATOM 1430 C SER A 90 -1.665 17.574 -4.286 1.00 0.00 C ATOM 1431 O SER A 90 -2.032 16.773 -5.144 1.00 0.00 O ATOM 1432 CB SER A 90 -1.808 20.051 -4.605 1.00 0.00 C ATOM 1433 OG SER A 90 -0.551 20.305 -4.001 1.00 0.00 O ATOM 0 H SER A 90 -1.787 19.323 -2.066 1.00 0.00 H new ATOM 0 HA SER A 90 -3.473 18.708 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.675 19.891 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.453 20.922 -4.490 1.00 0.00 H new ATOM 0 HG SER A 90 -0.140 21.091 -4.418 1.00 0.00 H new ATOM 1439 N GLY A 91 -0.554 17.411 -3.573 1.00 0.00 N ATOM 1440 CA GLY A 91 0.298 16.254 -3.781 1.00 0.00 C ATOM 1441 C GLY A 91 1.753 16.633 -3.972 1.00 0.00 C ATOM 1442 O GLY A 91 2.095 17.802 -4.152 1.00 0.00 O ATOM 0 H GLY A 91 -0.229 18.059 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.210 15.583 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.049 15.704 -4.656 1.00 0.00 H new ATOM 1446 N PRO A 92 2.640 15.627 -3.932 1.00 0.00 N ATOM 1447 CA PRO A 92 4.081 15.836 -4.099 1.00 0.00 C ATOM 1448 C PRO A 92 4.448 16.233 -5.525 1.00 0.00 C ATOM 1449 O PRO A 92 5.616 16.477 -5.831 1.00 0.00 O ATOM 1450 CB PRO A 92 4.680 14.470 -3.754 1.00 0.00 C ATOM 1451 CG PRO A 92 3.589 13.496 -4.039 1.00 0.00 C ATOM 1452 CD PRO A 92 2.304 14.209 -3.722 1.00 0.00 C ATOM 0 HA PRO A 92 4.450 16.649 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.564 14.262 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.988 14.425 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.612 13.178 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.698 12.599 -3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.494 13.887 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.981 14.020 -2.698 1.00 0.00 H new ATOM 1460 N SER A 93 3.444 16.297 -6.394 1.00 0.00 N ATOM 1461 CA SER A 93 3.663 16.662 -7.789 1.00 0.00 C ATOM 1462 C SER A 93 4.110 18.116 -7.906 1.00 0.00 C ATOM 1463 O SER A 93 3.774 18.950 -7.066 1.00 0.00 O ATOM 1464 CB SER A 93 2.385 16.443 -8.601 1.00 0.00 C ATOM 1465 OG SER A 93 1.452 17.485 -8.375 1.00 0.00 O ATOM 0 H SER A 93 2.472 16.101 -6.157 1.00 0.00 H new ATOM 0 HA SER A 93 4.452 16.024 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.629 16.393 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.938 15.486 -8.331 1.00 0.00 H new ATOM 0 HG SER A 93 0.645 17.322 -8.907 1.00 0.00 H new ATOM 1471 N SER A 94 4.871 18.411 -8.955 1.00 0.00 N ATOM 1472 CA SER A 94 5.368 19.763 -9.182 1.00 0.00 C ATOM 1473 C SER A 94 4.410 20.553 -10.068 1.00 0.00 C ATOM 1474 O SER A 94 3.570 19.979 -10.760 1.00 0.00 O ATOM 1475 CB SER A 94 6.756 19.718 -9.825 1.00 0.00 C ATOM 1476 OG SER A 94 6.703 19.118 -11.108 1.00 0.00 O ATOM 0 H SER A 94 5.157 17.732 -9.661 1.00 0.00 H new ATOM 0 HA SER A 94 5.439 20.264 -8.217 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.155 20.729 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.439 19.158 -9.186 1.00 0.00 H new ATOM 0 HG SER A 94 7.601 19.102 -11.499 1.00 0.00 H new ATOM 1482 N GLY A 95 4.543 21.876 -10.041 1.00 0.00 N ATOM 1483 CA GLY A 95 3.684 22.725 -10.846 1.00 0.00 C ATOM 1484 C GLY A 95 2.233 22.288 -10.802 1.00 0.00 C ATOM 1485 O GLY A 95 1.694 22.007 -9.731 1.00 0.00 O ATOM 0 H GLY A 95 5.230 22.375 -9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.761 23.754 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.032 22.715 -11.879 1.00 0.00 H new TER 1489 GLY A 95