USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 809 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 86 TYR OH : rot 180:sc= -0.106 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.701 K(o=-0.81,f=-2.5!) USER MOD Set 2.1: A 29 TYR OH : rot 160:sc= -1.02! USER MOD Set 2.2: A 97 THR OG1 : rot 53:sc= 0.794 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.0179 K(o=0.018,f=-4.4!) USER MOD Single : A 38 SER OG : rot 91:sc= 0.429 USER MOD Single : A 47 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.018) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.351 USER MOD Single : A 54 SER OG : rot 180:sc= 0.119 USER MOD Single : A 57 CYS SG : rot 130:sc= -1.32 USER MOD Single : A 59 GLN : amide:sc=-0.00281 X(o=-0.0028,f=-0.03) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.644 USER MOD Single : A 72 SER OG : rot 167:sc= 0.64 USER MOD Single : A 77 SER OG : rot 88:sc= 0.143 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.375 K(o=-0.37,f=-2!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 87 CYS SG : rot 81:sc= -0.123 USER MOD Single : A 89 HIS : no HD1:sc= -2.28! K(o=-2.3!,f=-1.7) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.418 6.322 -3.186 1.00 72.13 N ATOM 64 CA ARG A 7 7.712 6.212 -2.524 1.00 65.43 C ATOM 65 C ARG A 7 8.352 4.855 -2.806 1.00 33.34 C ATOM 66 O ARG A 7 9.577 4.735 -2.868 1.00 75.23 O ATOM 67 CB ARG A 7 7.557 6.411 -1.016 1.00 35.42 C ATOM 68 CG ARG A 7 8.814 6.929 -0.337 1.00 63.51 C ATOM 69 CD ARG A 7 9.027 8.409 -0.613 1.00 31.11 C ATOM 70 NE ARG A 7 10.443 8.745 -0.738 1.00 31.14 N ATOM 71 CZ ARG A 7 11.242 8.957 0.302 1.00 1.11 C ATOM 72 NH1 ARG A 7 10.767 8.868 1.537 1.00 51.22 N ATOM 73 NH2 ARG A 7 12.520 9.259 0.108 1.00 73.43 N ATOM 0 HA ARG A 7 8.362 6.992 -2.920 1.00 65.43 H new ATOM 0 HB2 ARG A 7 6.741 7.110 -0.832 1.00 35.42 H new ATOM 0 HB3 ARG A 7 7.273 5.462 -0.560 1.00 35.42 H new ATOM 0 HG2 ARG A 7 8.742 6.765 0.738 1.00 63.51 H new ATOM 0 HG3 ARG A 7 9.678 6.364 -0.688 1.00 63.51 H new ATOM 0 HD2 ARG A 7 8.507 8.685 -1.530 1.00 31.11 H new ATOM 0 HD3 ARG A 7 8.585 8.995 0.193 1.00 31.11 H new ATOM 0 HE ARG A 7 10.840 8.821 -1.675 1.00 31.14 H new ATOM 0 HH11 ARG A 7 9.786 8.636 1.690 1.00 51.22 H new ATOM 0 HH12 ARG A 7 11.383 9.031 2.333 1.00 51.22 H new ATOM 0 HH21 ARG A 7 12.889 9.328 -0.840 1.00 73.43 H new ATOM 0 HH22 ARG A 7 13.133 9.422 0.907 1.00 73.43 H new ATOM 87 N LEU A 8 7.516 3.836 -2.973 1.00 22.20 N ATOM 88 CA LEU A 8 8.000 2.487 -3.247 1.00 12.20 C ATOM 89 C LEU A 8 8.521 2.375 -4.677 1.00 35.44 C ATOM 90 O LEU A 8 8.293 3.259 -5.501 1.00 52.52 O ATOM 91 CB LEU A 8 6.883 1.467 -3.017 1.00 72.33 C ATOM 92 CG LEU A 8 6.433 1.280 -1.568 1.00 53.22 C ATOM 93 CD1 LEU A 8 5.376 0.189 -1.474 1.00 45.50 C ATOM 94 CD2 LEU A 8 7.622 0.951 -0.678 1.00 63.23 C ATOM 0 H LEU A 8 6.500 3.918 -2.924 1.00 22.20 H new ATOM 0 HA LEU A 8 8.822 2.276 -2.563 1.00 12.20 H new ATOM 0 HB2 LEU A 8 6.018 1.766 -3.609 1.00 72.33 H new ATOM 0 HB3 LEU A 8 7.215 0.502 -3.401 1.00 72.33 H new ATOM 0 HG LEU A 8 5.993 2.215 -1.221 1.00 53.22 H new ATOM 0 HD11 LEU A 8 5.068 0.070 -0.435 1.00 45.50 H new ATOM 0 HD12 LEU A 8 4.513 0.466 -2.079 1.00 45.50 H new ATOM 0 HD13 LEU A 8 5.790 -0.751 -1.840 1.00 45.50 H new ATOM 0 HD21 LEU A 8 7.282 0.821 0.350 1.00 63.23 H new ATOM 0 HD22 LEU A 8 8.092 0.030 -1.024 1.00 63.23 H new ATOM 0 HD23 LEU A 8 8.345 1.765 -0.721 1.00 63.23 H new ATOM 106 N SER A 9 9.218 1.280 -4.963 1.00 31.23 N ATOM 107 CA SER A 9 9.771 1.052 -6.292 1.00 44.52 C ATOM 108 C SER A 9 9.459 -0.360 -6.776 1.00 44.24 C ATOM 109 O SER A 9 8.758 -1.117 -6.107 1.00 72.21 O ATOM 110 CB SER A 9 11.285 1.277 -6.282 1.00 45.45 C ATOM 111 OG SER A 9 11.657 2.284 -7.208 1.00 24.34 O ATOM 0 H SER A 9 9.413 0.537 -4.292 1.00 31.23 H new ATOM 0 HA SER A 9 9.309 1.762 -6.978 1.00 44.52 H new ATOM 0 HB2 SER A 9 11.607 1.563 -5.281 1.00 45.45 H new ATOM 0 HB3 SER A 9 11.796 0.346 -6.528 1.00 45.45 H new ATOM 0 HG SER A 9 12.628 2.410 -7.181 1.00 24.34 H new ATOM 117 N GLY A 10 9.985 -0.707 -7.948 1.00 23.43 N ATOM 118 CA GLY A 10 9.752 -2.027 -8.503 1.00 34.33 C ATOM 119 C GLY A 10 9.979 -3.131 -7.489 1.00 74.43 C ATOM 120 O GLY A 10 9.205 -4.086 -7.416 1.00 53.42 O ATOM 0 H GLY A 10 10.568 -0.097 -8.522 1.00 23.43 H new ATOM 0 HA2 GLY A 10 8.730 -2.085 -8.876 1.00 34.33 H new ATOM 0 HA3 GLY A 10 10.412 -2.181 -9.357 1.00 34.33 H new ATOM 124 N GLY A 11 11.045 -3.003 -6.706 1.00 60.51 N ATOM 125 CA GLY A 11 11.354 -4.006 -5.704 1.00 32.44 C ATOM 126 C GLY A 11 10.203 -4.242 -4.746 1.00 24.24 C ATOM 127 O GLY A 11 9.719 -5.366 -4.613 1.00 10.31 O ATOM 0 H GLY A 11 11.700 -2.223 -6.747 1.00 60.51 H new ATOM 0 HA2 GLY A 11 11.609 -4.943 -6.199 1.00 32.44 H new ATOM 0 HA3 GLY A 11 12.233 -3.694 -5.141 1.00 32.44 H new ATOM 131 N GLU A 12 9.765 -3.181 -4.076 1.00 21.14 N ATOM 132 CA GLU A 12 8.666 -3.279 -3.124 1.00 30.33 C ATOM 133 C GLU A 12 7.358 -3.614 -3.835 1.00 43.01 C ATOM 134 O GLU A 12 6.500 -4.307 -3.287 1.00 14.52 O ATOM 135 CB GLU A 12 8.516 -1.971 -2.346 1.00 42.31 C ATOM 136 CG GLU A 12 8.584 -2.146 -0.838 1.00 45.11 C ATOM 137 CD GLU A 12 9.869 -1.601 -0.245 1.00 1.43 C ATOM 138 OE1 GLU A 12 10.951 -2.112 -0.600 1.00 25.21 O ATOM 139 OE2 GLU A 12 9.790 -0.662 0.575 1.00 2.52 O ATOM 0 H GLU A 12 10.155 -2.244 -4.175 1.00 21.14 H new ATOM 0 HA GLU A 12 8.896 -4.083 -2.425 1.00 30.33 H new ATOM 0 HB2 GLU A 12 9.300 -1.281 -2.658 1.00 42.31 H new ATOM 0 HB3 GLU A 12 7.563 -1.511 -2.607 1.00 42.31 H new ATOM 0 HG2 GLU A 12 7.734 -1.642 -0.379 1.00 45.11 H new ATOM 0 HG3 GLU A 12 8.496 -3.205 -0.594 1.00 45.11 H new ATOM 146 N LEU A 13 7.213 -3.116 -5.059 1.00 2.05 N ATOM 147 CA LEU A 13 6.010 -3.361 -5.847 1.00 34.25 C ATOM 148 C LEU A 13 5.763 -4.857 -6.013 1.00 31.05 C ATOM 149 O LEU A 13 4.625 -5.321 -5.933 1.00 1.03 O ATOM 150 CB LEU A 13 6.132 -2.697 -7.218 1.00 40.52 C ATOM 151 CG LEU A 13 5.099 -1.613 -7.534 1.00 62.43 C ATOM 152 CD1 LEU A 13 5.675 -0.597 -8.508 1.00 15.53 C ATOM 153 CD2 LEU A 13 3.830 -2.236 -8.097 1.00 13.53 C ATOM 0 H LEU A 13 7.913 -2.541 -5.527 1.00 2.05 H new ATOM 0 HA LEU A 13 5.162 -2.929 -5.315 1.00 34.25 H new ATOM 0 HB2 LEU A 13 7.126 -2.258 -7.300 1.00 40.52 H new ATOM 0 HB3 LEU A 13 6.062 -3.471 -7.982 1.00 40.52 H new ATOM 0 HG LEU A 13 4.846 -1.095 -6.609 1.00 62.43 H new ATOM 0 HD11 LEU A 13 4.927 0.167 -8.722 1.00 15.53 H new ATOM 0 HD12 LEU A 13 6.556 -0.129 -8.068 1.00 15.53 H new ATOM 0 HD13 LEU A 13 5.956 -1.099 -9.434 1.00 15.53 H new ATOM 0 HD21 LEU A 13 3.106 -1.451 -8.316 1.00 13.53 H new ATOM 0 HD22 LEU A 13 4.066 -2.778 -9.013 1.00 13.53 H new ATOM 0 HD23 LEU A 13 3.408 -2.925 -7.366 1.00 13.53 H new ATOM 165 N ASP A 14 6.835 -5.606 -6.241 1.00 73.12 N ATOM 166 CA ASP A 14 6.735 -7.051 -6.416 1.00 61.42 C ATOM 167 C ASP A 14 5.920 -7.679 -5.291 1.00 15.33 C ATOM 168 O ASP A 14 5.035 -8.500 -5.533 1.00 52.23 O ATOM 169 CB ASP A 14 8.130 -7.678 -6.463 1.00 1.11 C ATOM 170 CG ASP A 14 8.403 -8.386 -7.775 1.00 74.01 C ATOM 171 OD1 ASP A 14 7.608 -9.275 -8.146 1.00 31.22 O ATOM 172 OD2 ASP A 14 9.411 -8.051 -8.432 1.00 35.01 O ATOM 0 H ASP A 14 7.784 -5.238 -6.309 1.00 73.12 H new ATOM 0 HA ASP A 14 6.226 -7.244 -7.360 1.00 61.42 H new ATOM 0 HB2 ASP A 14 8.879 -6.901 -6.310 1.00 1.11 H new ATOM 0 HB3 ASP A 14 8.234 -8.388 -5.642 1.00 1.11 H new ATOM 177 N LYS A 15 6.224 -7.289 -4.057 1.00 13.23 N ATOM 178 CA LYS A 15 5.519 -7.812 -2.893 1.00 23.02 C ATOM 179 C LYS A 15 4.108 -7.242 -2.809 1.00 13.13 C ATOM 180 O LYS A 15 3.151 -7.967 -2.537 1.00 54.34 O ATOM 181 CB LYS A 15 6.291 -7.482 -1.613 1.00 54.43 C ATOM 182 CG LYS A 15 7.190 -8.609 -1.136 1.00 62.33 C ATOM 183 CD LYS A 15 8.562 -8.540 -1.785 1.00 4.32 C ATOM 184 CE LYS A 15 9.572 -7.847 -0.882 1.00 55.41 C ATOM 185 NZ LYS A 15 10.761 -8.702 -0.620 1.00 21.14 N ATOM 0 H LYS A 15 6.955 -6.612 -3.838 1.00 13.23 H new ATOM 0 HA LYS A 15 5.448 -8.895 -2.999 1.00 23.02 H new ATOM 0 HB2 LYS A 15 6.897 -6.593 -1.784 1.00 54.43 H new ATOM 0 HB3 LYS A 15 5.581 -7.237 -0.824 1.00 54.43 H new ATOM 0 HG2 LYS A 15 7.296 -8.557 -0.052 1.00 62.33 H new ATOM 0 HG3 LYS A 15 6.726 -9.568 -1.365 1.00 62.33 H new ATOM 0 HD2 LYS A 15 8.908 -9.548 -2.014 1.00 4.32 H new ATOM 0 HD3 LYS A 15 8.491 -8.005 -2.732 1.00 4.32 H new ATOM 0 HE2 LYS A 15 9.891 -6.913 -1.344 1.00 55.41 H new ATOM 0 HE3 LYS A 15 9.096 -7.588 0.064 1.00 55.41 H new ATOM 0 HZ1 LYS A 15 11.425 -8.194 -0.001 1.00 21.14 H new ATOM 0 HZ2 LYS A 15 10.460 -9.582 -0.156 1.00 21.14 H new ATOM 0 HZ3 LYS A 15 11.231 -8.928 -1.520 1.00 21.14 H new ATOM 199 N TRP A 16 3.985 -5.941 -3.045 1.00 3.43 N ATOM 200 CA TRP A 16 2.689 -5.274 -2.997 1.00 61.50 C ATOM 201 C TRP A 16 1.682 -5.976 -3.902 1.00 42.15 C ATOM 202 O TRP A 16 0.504 -6.089 -3.565 1.00 4.14 O ATOM 203 CB TRP A 16 2.831 -3.808 -3.412 1.00 71.22 C ATOM 204 CG TRP A 16 1.518 -3.093 -3.520 1.00 43.54 C ATOM 205 CD1 TRP A 16 0.978 -2.537 -4.645 1.00 3.22 C ATOM 206 CD2 TRP A 16 0.584 -2.853 -2.464 1.00 35.15 C ATOM 207 NE1 TRP A 16 -0.237 -1.967 -4.351 1.00 4.11 N ATOM 208 CE2 TRP A 16 -0.502 -2.147 -3.020 1.00 30.24 C ATOM 209 CE3 TRP A 16 0.555 -3.166 -1.102 1.00 25.53 C ATOM 210 CZ2 TRP A 16 -1.600 -1.752 -2.260 1.00 32.25 C ATOM 211 CZ3 TRP A 16 -0.535 -2.773 -0.350 1.00 22.35 C ATOM 212 CH2 TRP A 16 -1.601 -2.073 -0.929 1.00 44.23 C ATOM 0 H TRP A 16 4.767 -5.327 -3.272 1.00 3.43 H new ATOM 0 HA TRP A 16 2.322 -5.320 -1.972 1.00 61.50 H new ATOM 0 HB2 TRP A 16 3.460 -3.291 -2.687 1.00 71.22 H new ATOM 0 HB3 TRP A 16 3.345 -3.757 -4.372 1.00 71.22 H new ATOM 0 HD1 TRP A 16 1.439 -2.544 -5.622 1.00 3.22 H new ATOM 0 HE1 TRP A 16 -0.843 -1.487 -5.016 1.00 4.11 H new ATOM 0 HE3 TRP A 16 1.371 -3.706 -0.645 1.00 25.53 H new ATOM 0 HZ2 TRP A 16 -2.422 -1.211 -2.705 1.00 32.25 H new ATOM 0 HZ3 TRP A 16 -0.566 -3.010 0.703 1.00 22.35 H new ATOM 0 HH2 TRP A 16 -2.439 -1.781 -0.314 1.00 44.23 H new ATOM 223 N GLU A 17 2.154 -6.446 -5.053 1.00 62.31 N ATOM 224 CA GLU A 17 1.293 -7.137 -6.006 1.00 50.12 C ATOM 225 C GLU A 17 1.231 -8.630 -5.701 1.00 4.05 C ATOM 226 O GLU A 17 0.411 -9.357 -6.261 1.00 44.23 O ATOM 227 CB GLU A 17 1.796 -6.917 -7.434 1.00 42.31 C ATOM 228 CG GLU A 17 1.572 -5.505 -7.949 1.00 23.05 C ATOM 229 CD GLU A 17 1.472 -5.445 -9.460 1.00 42.42 C ATOM 230 OE1 GLU A 17 0.417 -5.835 -10.002 1.00 63.13 O ATOM 231 OE2 GLU A 17 2.450 -5.004 -10.101 1.00 62.34 O ATOM 0 H GLU A 17 3.127 -6.361 -5.348 1.00 62.31 H new ATOM 0 HA GLU A 17 0.289 -6.724 -5.915 1.00 50.12 H new ATOM 0 HB2 GLU A 17 2.861 -7.144 -7.474 1.00 42.31 H new ATOM 0 HB3 GLU A 17 1.295 -7.621 -8.099 1.00 42.31 H new ATOM 0 HG2 GLU A 17 0.658 -5.103 -7.512 1.00 23.05 H new ATOM 0 HG3 GLU A 17 2.391 -4.867 -7.617 1.00 23.05 H new ATOM 238 N LYS A 18 2.106 -9.082 -4.807 1.00 61.53 N ATOM 239 CA LYS A 18 2.152 -10.489 -4.425 1.00 43.31 C ATOM 240 C LYS A 18 1.036 -10.822 -3.441 1.00 14.43 C ATOM 241 O LYS A 18 0.644 -11.981 -3.304 1.00 13.05 O ATOM 242 CB LYS A 18 3.510 -10.825 -3.805 1.00 43.43 C ATOM 243 CG LYS A 18 3.841 -12.307 -3.833 1.00 70.02 C ATOM 244 CD LYS A 18 5.097 -12.613 -3.035 1.00 23.53 C ATOM 245 CE LYS A 18 6.336 -12.037 -3.703 1.00 20.32 C ATOM 246 NZ LYS A 18 7.536 -12.890 -3.475 1.00 11.02 N ATOM 0 H LYS A 18 2.792 -8.494 -4.334 1.00 61.53 H new ATOM 0 HA LYS A 18 2.011 -11.089 -5.324 1.00 43.31 H new ATOM 0 HB2 LYS A 18 4.288 -10.277 -4.337 1.00 43.43 H new ATOM 0 HB3 LYS A 18 3.524 -10.477 -2.772 1.00 43.43 H new ATOM 0 HG2 LYS A 18 3.004 -12.875 -3.428 1.00 70.02 H new ATOM 0 HG3 LYS A 18 3.976 -12.631 -4.865 1.00 70.02 H new ATOM 0 HD2 LYS A 18 5.000 -12.202 -2.030 1.00 23.53 H new ATOM 0 HD3 LYS A 18 5.208 -13.692 -2.929 1.00 23.53 H new ATOM 0 HE2 LYS A 18 6.159 -11.938 -4.774 1.00 20.32 H new ATOM 0 HE3 LYS A 18 6.524 -11.035 -3.317 1.00 20.32 H new ATOM 0 HZ1 LYS A 18 8.359 -12.464 -3.946 1.00 11.02 H new ATOM 0 HZ2 LYS A 18 7.721 -12.964 -2.454 1.00 11.02 H new ATOM 0 HZ3 LYS A 18 7.367 -13.839 -3.866 1.00 11.02 H new ATOM 260 N ILE A 19 0.528 -9.800 -2.761 1.00 4.35 N ATOM 261 CA ILE A 19 -0.545 -9.986 -1.791 1.00 42.44 C ATOM 262 C ILE A 19 -1.900 -10.082 -2.484 1.00 1.43 C ATOM 263 O ILE A 19 -2.202 -9.304 -3.390 1.00 32.54 O ATOM 264 CB ILE A 19 -0.585 -8.835 -0.768 1.00 45.01 C ATOM 265 CG1 ILE A 19 0.773 -8.692 -0.076 1.00 33.43 C ATOM 266 CG2 ILE A 19 -1.685 -9.074 0.254 1.00 3.32 C ATOM 267 CD1 ILE A 19 1.338 -7.291 -0.137 1.00 22.50 C ATOM 0 H ILE A 19 0.842 -8.835 -2.863 1.00 4.35 H new ATOM 0 HA ILE A 19 -0.339 -10.920 -1.267 1.00 42.44 H new ATOM 0 HB ILE A 19 -0.802 -7.906 -1.295 1.00 45.01 H new ATOM 0 HG12 ILE A 19 0.673 -8.989 0.968 1.00 33.43 H new ATOM 0 HG13 ILE A 19 1.481 -9.381 -0.537 1.00 33.43 H new ATOM 0 HG21 ILE A 19 -1.701 -8.252 0.970 1.00 3.32 H new ATOM 0 HG22 ILE A 19 -2.648 -9.131 -0.254 1.00 3.32 H new ATOM 0 HG23 ILE A 19 -1.496 -10.010 0.780 1.00 3.32 H new ATOM 0 HD11 ILE A 19 2.301 -7.264 0.373 1.00 22.50 H new ATOM 0 HD12 ILE A 19 1.471 -6.997 -1.178 1.00 22.50 H new ATOM 0 HD13 ILE A 19 0.650 -6.600 0.350 1.00 22.50 H new ATOM 279 N ARG A 20 -2.713 -11.040 -2.051 1.00 0.52 N ATOM 280 CA ARG A 20 -4.037 -11.237 -2.628 1.00 72.25 C ATOM 281 C ARG A 20 -5.100 -10.511 -1.810 1.00 55.52 C ATOM 282 O ARG A 20 -4.950 -10.325 -0.603 1.00 14.35 O ATOM 283 CB ARG A 20 -4.366 -12.730 -2.703 1.00 13.04 C ATOM 284 CG ARG A 20 -3.524 -13.489 -3.714 1.00 34.44 C ATOM 285 CD ARG A 20 -2.275 -14.073 -3.072 1.00 63.23 C ATOM 286 NE ARG A 20 -1.468 -14.825 -4.030 1.00 3.10 N ATOM 287 CZ ARG A 20 -1.756 -16.060 -4.425 1.00 0.03 C ATOM 288 NH1 ARG A 20 -2.826 -16.679 -3.947 1.00 25.35 N ATOM 289 NH2 ARG A 20 -0.973 -16.678 -5.300 1.00 43.11 N ATOM 0 H ARG A 20 -2.478 -11.692 -1.303 1.00 0.52 H new ATOM 0 HA ARG A 20 -4.033 -10.821 -3.636 1.00 72.25 H new ATOM 0 HB2 ARG A 20 -4.224 -13.175 -1.718 1.00 13.04 H new ATOM 0 HB3 ARG A 20 -5.419 -12.849 -2.958 1.00 13.04 H new ATOM 0 HG2 ARG A 20 -4.117 -14.291 -4.154 1.00 34.44 H new ATOM 0 HG3 ARG A 20 -3.238 -12.821 -4.526 1.00 34.44 H new ATOM 0 HD2 ARG A 20 -1.676 -13.268 -2.646 1.00 63.23 H new ATOM 0 HD3 ARG A 20 -2.562 -14.726 -2.248 1.00 63.23 H new ATOM 0 HE ARG A 20 -0.637 -14.377 -4.417 1.00 3.10 H new ATOM 0 HH11 ARG A 20 -3.430 -16.207 -3.274 1.00 25.35 H new ATOM 0 HH12 ARG A 20 -3.045 -17.627 -4.252 1.00 25.35 H new ATOM 0 HH21 ARG A 20 -0.149 -16.205 -5.670 1.00 43.11 H new ATOM 0 HH22 ARG A 20 -1.195 -17.626 -5.602 1.00 43.11 H new ATOM 303 N LEU A 21 -6.175 -10.103 -2.477 1.00 12.53 N ATOM 304 CA LEU A 21 -7.265 -9.396 -1.813 1.00 2.33 C ATOM 305 C LEU A 21 -8.129 -10.361 -1.009 1.00 12.52 C ATOM 306 O LEU A 21 -8.589 -10.034 0.086 1.00 11.32 O ATOM 307 CB LEU A 21 -8.124 -8.660 -2.842 1.00 42.42 C ATOM 308 CG LEU A 21 -7.365 -7.841 -3.887 1.00 23.20 C ATOM 309 CD1 LEU A 21 -8.334 -7.046 -4.749 1.00 2.23 C ATOM 310 CD2 LEU A 21 -6.363 -6.914 -3.214 1.00 51.20 C ATOM 0 H LEU A 21 -6.315 -10.250 -3.477 1.00 12.53 H new ATOM 0 HA LEU A 21 -6.829 -8.669 -1.127 1.00 2.33 H new ATOM 0 HB2 LEU A 21 -8.741 -9.393 -3.362 1.00 42.42 H new ATOM 0 HB3 LEU A 21 -8.802 -7.993 -2.309 1.00 42.42 H new ATOM 0 HG LEU A 21 -6.817 -8.529 -4.531 1.00 23.20 H new ATOM 0 HD11 LEU A 21 -7.776 -6.469 -5.487 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -9.012 -7.730 -5.260 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -8.910 -6.368 -4.119 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -5.832 -6.339 -3.973 1.00 51.20 H new ATOM 0 HD22 LEU A 21 -6.890 -6.233 -2.545 1.00 51.20 H new ATOM 0 HD23 LEU A 21 -5.649 -7.505 -2.641 1.00 51.20 H new ATOM 322 N ARG A 22 -8.345 -11.551 -1.558 1.00 73.42 N ATOM 323 CA ARG A 22 -9.155 -12.565 -0.891 1.00 44.23 C ATOM 324 C ARG A 22 -8.291 -13.739 -0.438 1.00 72.25 C ATOM 325 O ARG A 22 -7.182 -13.951 -0.929 1.00 60.14 O ATOM 326 CB ARG A 22 -10.260 -13.061 -1.825 1.00 65.32 C ATOM 327 CG ARG A 22 -11.572 -12.311 -1.669 1.00 53.15 C ATOM 328 CD ARG A 22 -12.601 -12.768 -2.692 1.00 24.10 C ATOM 329 NE ARG A 22 -13.710 -13.485 -2.069 1.00 55.44 N ATOM 330 CZ ARG A 22 -14.743 -13.973 -2.748 1.00 42.44 C ATOM 331 NH1 ARG A 22 -14.806 -13.822 -4.064 1.00 24.50 N ATOM 332 NH2 ARG A 22 -15.714 -14.614 -2.111 1.00 43.13 N ATOM 0 H ARG A 22 -7.971 -11.838 -2.463 1.00 73.42 H new ATOM 0 HA ARG A 22 -9.610 -12.110 -0.011 1.00 44.23 H new ATOM 0 HB2 ARG A 22 -9.920 -12.970 -2.857 1.00 65.32 H new ATOM 0 HB3 ARG A 22 -10.433 -14.121 -1.639 1.00 65.32 H new ATOM 0 HG2 ARG A 22 -11.963 -12.466 -0.664 1.00 53.15 H new ATOM 0 HG3 ARG A 22 -11.396 -11.241 -1.781 1.00 53.15 H new ATOM 0 HD2 ARG A 22 -12.986 -11.902 -3.231 1.00 24.10 H new ATOM 0 HD3 ARG A 22 -12.120 -13.413 -3.427 1.00 24.10 H new ATOM 0 HE ARG A 22 -13.691 -13.619 -1.058 1.00 55.44 H new ATOM 0 HH11 ARG A 22 -14.061 -13.330 -4.557 1.00 24.50 H new ATOM 0 HH12 ARG A 22 -15.600 -14.197 -4.583 1.00 24.50 H new ATOM 0 HH21 ARG A 22 -15.668 -14.733 -1.099 1.00 43.13 H new ATOM 0 HH22 ARG A 22 -16.506 -14.988 -2.633 1.00 43.13 H new ATOM 346 N PRO A 23 -8.809 -14.520 0.520 1.00 14.01 N ATOM 347 CA PRO A 23 -8.103 -15.685 1.060 1.00 10.13 C ATOM 348 C PRO A 23 -8.005 -16.823 0.050 1.00 22.14 C ATOM 349 O PRO A 23 -6.964 -17.468 -0.074 1.00 33.15 O ATOM 350 CB PRO A 23 -8.967 -16.103 2.253 1.00 31.11 C ATOM 351 CG PRO A 23 -10.330 -15.597 1.929 1.00 55.30 C ATOM 352 CD PRO A 23 -10.126 -14.326 1.151 1.00 70.20 C ATOM 0 HA PRO A 23 -7.072 -15.449 1.324 1.00 10.13 H new ATOM 0 HB2 PRO A 23 -8.967 -17.185 2.382 1.00 31.11 H new ATOM 0 HB3 PRO A 23 -8.595 -15.671 3.182 1.00 31.11 H new ATOM 0 HG2 PRO A 23 -10.888 -16.327 1.344 1.00 55.30 H new ATOM 0 HG3 PRO A 23 -10.903 -15.411 2.837 1.00 55.30 H new ATOM 0 HD2 PRO A 23 -10.910 -14.179 0.408 1.00 70.20 H new ATOM 0 HD3 PRO A 23 -10.135 -13.451 1.801 1.00 70.20 H new ATOM 360 N GLY A 24 -9.095 -17.064 -0.672 1.00 63.23 N ATOM 361 CA GLY A 24 -9.110 -18.124 -1.663 1.00 51.10 C ATOM 362 C GLY A 24 -9.377 -17.606 -3.062 1.00 71.03 C ATOM 363 O GLY A 24 -9.992 -18.291 -3.878 1.00 62.30 O ATOM 0 H GLY A 24 -9.968 -16.544 -0.588 1.00 63.23 H new ATOM 0 HA2 GLY A 24 -8.152 -18.644 -1.648 1.00 51.10 H new ATOM 0 HA3 GLY A 24 -9.874 -18.855 -1.397 1.00 51.10 H new ATOM 367 N GLY A 25 -8.915 -16.391 -3.340 1.00 22.42 N ATOM 368 CA GLY A 25 -9.119 -15.802 -4.651 1.00 2.24 C ATOM 369 C GLY A 25 -7.828 -15.665 -5.433 1.00 11.34 C ATOM 370 O GLY A 25 -6.800 -16.224 -5.051 1.00 23.24 O ATOM 0 H GLY A 25 -8.403 -15.804 -2.681 1.00 22.42 H new ATOM 0 HA2 GLY A 25 -9.819 -16.416 -5.217 1.00 2.24 H new ATOM 0 HA3 GLY A 25 -9.577 -14.819 -4.537 1.00 2.24 H new ATOM 374 N LYS A 26 -7.880 -14.921 -6.532 1.00 44.43 N ATOM 375 CA LYS A 26 -6.706 -14.713 -7.371 1.00 43.30 C ATOM 376 C LYS A 26 -6.424 -13.224 -7.551 1.00 62.12 C ATOM 377 O LYS A 26 -5.455 -12.840 -8.207 1.00 62.02 O ATOM 378 CB LYS A 26 -6.906 -15.374 -8.737 1.00 11.21 C ATOM 379 CG LYS A 26 -6.274 -16.751 -8.844 1.00 52.33 C ATOM 380 CD LYS A 26 -7.095 -17.674 -9.728 1.00 13.10 C ATOM 381 CE LYS A 26 -6.285 -18.878 -10.182 1.00 24.43 C ATOM 382 NZ LYS A 26 -6.106 -18.902 -11.660 1.00 51.24 N ATOM 0 H LYS A 26 -8.723 -14.452 -6.863 1.00 44.43 H new ATOM 0 HA LYS A 26 -5.850 -15.170 -6.875 1.00 43.30 H new ATOM 0 HB2 LYS A 26 -7.974 -15.457 -8.938 1.00 11.21 H new ATOM 0 HB3 LYS A 26 -6.485 -14.729 -9.509 1.00 11.21 H new ATOM 0 HG2 LYS A 26 -5.266 -16.659 -9.249 1.00 52.33 H new ATOM 0 HG3 LYS A 26 -6.179 -17.187 -7.850 1.00 52.33 H new ATOM 0 HD2 LYS A 26 -7.977 -18.012 -9.183 1.00 13.10 H new ATOM 0 HD3 LYS A 26 -7.450 -17.124 -10.599 1.00 13.10 H new ATOM 0 HE2 LYS A 26 -5.308 -18.862 -9.698 1.00 24.43 H new ATOM 0 HE3 LYS A 26 -6.784 -19.793 -9.862 1.00 24.43 H new ATOM 0 HZ1 LYS A 26 -5.549 -19.738 -11.929 1.00 51.24 H new ATOM 0 HZ2 LYS A 26 -7.037 -18.943 -12.122 1.00 51.24 H new ATOM 0 HZ3 LYS A 26 -5.607 -18.041 -11.963 1.00 51.24 H new ATOM 396 N LYS A 27 -7.275 -12.389 -6.965 1.00 73.33 N ATOM 397 CA LYS A 27 -7.117 -10.944 -7.058 1.00 2.42 C ATOM 398 C LYS A 27 -6.030 -10.452 -6.107 1.00 61.31 C ATOM 399 O LYS A 27 -5.830 -11.021 -5.034 1.00 3.20 O ATOM 400 CB LYS A 27 -8.440 -10.244 -6.742 1.00 11.51 C ATOM 401 CG LYS A 27 -8.796 -9.141 -7.724 1.00 63.04 C ATOM 402 CD LYS A 27 -10.282 -8.827 -7.697 1.00 23.43 C ATOM 403 CE LYS A 27 -11.064 -9.752 -8.618 1.00 42.43 C ATOM 404 NZ LYS A 27 -12.259 -9.076 -9.196 1.00 30.42 N ATOM 0 H LYS A 27 -8.083 -12.690 -6.420 1.00 73.33 H new ATOM 0 HA LYS A 27 -6.819 -10.702 -8.078 1.00 2.42 H new ATOM 0 HB2 LYS A 27 -9.240 -10.984 -6.735 1.00 11.51 H new ATOM 0 HB3 LYS A 27 -8.387 -9.822 -5.738 1.00 11.51 H new ATOM 0 HG2 LYS A 27 -8.229 -8.242 -7.483 1.00 63.04 H new ATOM 0 HG3 LYS A 27 -8.505 -9.441 -8.731 1.00 63.04 H new ATOM 0 HD2 LYS A 27 -10.657 -8.924 -6.678 1.00 23.43 H new ATOM 0 HD3 LYS A 27 -10.442 -7.792 -7.998 1.00 23.43 H new ATOM 0 HE2 LYS A 27 -10.416 -10.096 -9.424 1.00 42.43 H new ATOM 0 HE3 LYS A 27 -11.379 -10.636 -8.063 1.00 42.43 H new ATOM 0 HZ1 LYS A 27 -12.766 -9.738 -9.818 1.00 30.42 H new ATOM 0 HZ2 LYS A 27 -12.890 -8.770 -8.428 1.00 30.42 H new ATOM 0 HZ3 LYS A 27 -11.957 -8.247 -9.746 1.00 30.42 H new ATOM 418 N GLN A 28 -5.333 -9.395 -6.508 1.00 43.11 N ATOM 419 CA GLN A 28 -4.267 -8.828 -5.690 1.00 23.53 C ATOM 420 C GLN A 28 -4.325 -7.304 -5.699 1.00 32.13 C ATOM 421 O GLN A 28 -5.248 -6.711 -6.259 1.00 31.02 O ATOM 422 CB GLN A 28 -2.902 -9.301 -6.194 1.00 64.12 C ATOM 423 CG GLN A 28 -2.685 -10.798 -6.049 1.00 32.44 C ATOM 424 CD GLN A 28 -1.777 -11.364 -7.122 1.00 60.25 C ATOM 425 OE1 GLN A 28 -1.780 -10.898 -8.263 1.00 0.44 O ATOM 426 NE2 GLN A 28 -0.992 -12.373 -6.764 1.00 75.41 N ATOM 0 H GLN A 28 -5.487 -8.913 -7.394 1.00 43.11 H new ATOM 0 HA GLN A 28 -4.408 -9.172 -4.665 1.00 23.53 H new ATOM 0 HB2 GLN A 28 -2.797 -9.027 -7.244 1.00 64.12 H new ATOM 0 HB3 GLN A 28 -2.120 -8.774 -5.647 1.00 64.12 H new ATOM 0 HG2 GLN A 28 -2.256 -11.005 -5.069 1.00 32.44 H new ATOM 0 HG3 GLN A 28 -3.648 -11.306 -6.089 1.00 32.44 H new ATOM 0 HE21 GLN A 28 -1.022 -12.728 -5.808 1.00 75.41 H new ATOM 0 HE22 GLN A 28 -0.359 -12.793 -7.445 1.00 75.41 H new ATOM 435 N TYR A 29 -3.334 -6.676 -5.076 1.00 13.14 N ATOM 436 CA TYR A 29 -3.275 -5.221 -5.009 1.00 44.40 C ATOM 437 C TYR A 29 -2.439 -4.656 -6.154 1.00 21.44 C ATOM 438 O TYR A 29 -1.536 -5.319 -6.665 1.00 21.40 O ATOM 439 CB TYR A 29 -2.690 -4.773 -3.668 1.00 35.20 C ATOM 440 CG TYR A 29 -3.637 -4.959 -2.504 1.00 1.23 C ATOM 441 CD1 TYR A 29 -4.540 -3.964 -2.151 1.00 62.11 C ATOM 442 CD2 TYR A 29 -3.626 -6.130 -1.754 1.00 55.45 C ATOM 443 CE1 TYR A 29 -5.406 -4.129 -1.087 1.00 64.12 C ATOM 444 CE2 TYR A 29 -4.490 -6.304 -0.690 1.00 12.31 C ATOM 445 CZ TYR A 29 -5.377 -5.301 -0.361 1.00 32.25 C ATOM 446 OH TYR A 29 -6.237 -5.470 0.700 1.00 34.31 O ATOM 0 H TYR A 29 -2.561 -7.152 -4.610 1.00 13.14 H new ATOM 0 HA TYR A 29 -4.291 -4.838 -5.101 1.00 44.40 H new ATOM 0 HB2 TYR A 29 -1.775 -5.333 -3.475 1.00 35.20 H new ATOM 0 HB3 TYR A 29 -2.412 -3.721 -3.735 1.00 35.20 H new ATOM 0 HD1 TYR A 29 -4.566 -3.045 -2.718 1.00 62.11 H new ATOM 0 HD2 TYR A 29 -2.931 -6.916 -2.007 1.00 55.45 H new ATOM 0 HE1 TYR A 29 -6.101 -3.345 -0.826 1.00 64.12 H new ATOM 0 HE2 TYR A 29 -4.471 -7.221 -0.119 1.00 12.31 H new ATOM 0 HH TYR A 29 -6.324 -6.425 0.902 1.00 34.31 H new ATOM 456 N LYS A 30 -2.746 -3.427 -6.552 1.00 31.12 N ATOM 457 CA LYS A 30 -2.023 -2.770 -7.635 1.00 73.12 C ATOM 458 C LYS A 30 -1.848 -1.282 -7.349 1.00 23.55 C ATOM 459 O LYS A 30 -2.402 -0.757 -6.381 1.00 44.43 O ATOM 460 CB LYS A 30 -2.765 -2.961 -8.960 1.00 32.01 C ATOM 461 CG LYS A 30 -2.111 -3.975 -9.883 1.00 42.21 C ATOM 462 CD LYS A 30 -3.067 -4.439 -10.969 1.00 44.33 C ATOM 463 CE LYS A 30 -2.469 -4.249 -12.356 1.00 15.45 C ATOM 464 NZ LYS A 30 -1.792 -5.482 -12.841 1.00 71.24 N ATOM 0 H LYS A 30 -3.491 -2.865 -6.141 1.00 31.12 H new ATOM 0 HA LYS A 30 -1.036 -3.226 -7.708 1.00 73.12 H new ATOM 0 HB2 LYS A 30 -3.787 -3.278 -8.752 1.00 32.01 H new ATOM 0 HB3 LYS A 30 -2.827 -2.002 -9.474 1.00 32.01 H new ATOM 0 HG2 LYS A 30 -1.226 -3.534 -10.341 1.00 42.21 H new ATOM 0 HG3 LYS A 30 -1.775 -4.834 -9.302 1.00 42.21 H new ATOM 0 HD2 LYS A 30 -3.309 -5.491 -10.817 1.00 44.33 H new ATOM 0 HD3 LYS A 30 -4.001 -3.883 -10.895 1.00 44.33 H new ATOM 0 HE2 LYS A 30 -3.256 -3.968 -13.056 1.00 15.45 H new ATOM 0 HE3 LYS A 30 -1.754 -3.427 -12.334 1.00 15.45 H new ATOM 0 HZ1 LYS A 30 -1.398 -5.312 -13.788 1.00 71.24 H new ATOM 0 HZ2 LYS A 30 -1.024 -5.736 -12.187 1.00 71.24 H new ATOM 0 HZ3 LYS A 30 -2.480 -6.261 -12.887 1.00 71.24 H new ATOM 478 N LEU A 31 -1.076 -0.608 -8.195 1.00 33.23 N ATOM 479 CA LEU A 31 -0.830 0.820 -8.033 1.00 50.33 C ATOM 480 C LEU A 31 -2.139 1.581 -7.845 1.00 2.30 C ATOM 481 O LEU A 31 -2.184 2.599 -7.154 1.00 11.31 O ATOM 482 CB LEU A 31 -0.078 1.369 -9.247 1.00 20.34 C ATOM 483 CG LEU A 31 1.443 1.207 -9.223 1.00 70.01 C ATOM 484 CD1 LEU A 31 1.976 0.972 -10.628 1.00 33.42 C ATOM 485 CD2 LEU A 31 2.100 2.430 -8.600 1.00 74.30 C ATOM 0 H LEU A 31 -0.610 -1.028 -8.999 1.00 33.23 H new ATOM 0 HA LEU A 31 -0.219 0.959 -7.141 1.00 50.33 H new ATOM 0 HB2 LEU A 31 -0.462 0.877 -10.140 1.00 20.34 H new ATOM 0 HB3 LEU A 31 -0.309 2.430 -9.343 1.00 20.34 H new ATOM 0 HG LEU A 31 1.687 0.338 -8.613 1.00 70.01 H new ATOM 0 HD11 LEU A 31 3.060 0.859 -10.592 1.00 33.42 H new ATOM 0 HD12 LEU A 31 1.530 0.066 -11.040 1.00 33.42 H new ATOM 0 HD13 LEU A 31 1.721 1.822 -11.261 1.00 33.42 H new ATOM 0 HD21 LEU A 31 3.182 2.297 -8.591 1.00 74.30 H new ATOM 0 HD22 LEU A 31 1.848 3.315 -9.184 1.00 74.30 H new ATOM 0 HD23 LEU A 31 1.742 2.555 -7.578 1.00 74.30 H new ATOM 497 N LYS A 32 -3.203 1.080 -8.463 1.00 61.24 N ATOM 498 CA LYS A 32 -4.514 1.709 -8.362 1.00 22.31 C ATOM 499 C LYS A 32 -4.843 2.051 -6.913 1.00 0.03 C ATOM 500 O LYS A 32 -5.322 3.147 -6.616 1.00 21.31 O ATOM 501 CB LYS A 32 -5.590 0.785 -8.937 1.00 55.22 C ATOM 502 CG LYS A 32 -5.991 1.129 -10.361 1.00 45.51 C ATOM 503 CD LYS A 32 -7.023 0.155 -10.901 1.00 13.41 C ATOM 504 CE LYS A 32 -8.417 0.766 -10.908 1.00 1.02 C ATOM 505 NZ LYS A 32 -8.713 1.460 -12.191 1.00 2.12 N ATOM 0 H LYS A 32 -3.183 0.239 -9.040 1.00 61.24 H new ATOM 0 HA LYS A 32 -4.492 2.634 -8.938 1.00 22.31 H new ATOM 0 HB2 LYS A 32 -5.227 -0.242 -8.909 1.00 55.22 H new ATOM 0 HB3 LYS A 32 -6.473 0.829 -8.299 1.00 55.22 H new ATOM 0 HG2 LYS A 32 -6.394 2.141 -10.392 1.00 45.51 H new ATOM 0 HG3 LYS A 32 -5.109 1.117 -11.001 1.00 45.51 H new ATOM 0 HD2 LYS A 32 -6.750 -0.142 -11.914 1.00 13.41 H new ATOM 0 HD3 LYS A 32 -7.024 -0.750 -10.293 1.00 13.41 H new ATOM 0 HE2 LYS A 32 -9.157 -0.016 -10.739 1.00 1.02 H new ATOM 0 HE3 LYS A 32 -8.507 1.473 -10.084 1.00 1.02 H new ATOM 0 HZ1 LYS A 32 -9.671 1.862 -12.155 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 -8.023 2.223 -12.340 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 -8.652 0.780 -12.976 1.00 2.12 H new ATOM 519 N HIS A 33 -4.583 1.108 -6.013 1.00 42.10 N ATOM 520 CA HIS A 33 -4.849 1.310 -4.592 1.00 53.13 C ATOM 521 C HIS A 33 -3.817 2.250 -3.976 1.00 63.21 C ATOM 522 O HIS A 33 -4.233 3.139 -3.235 1.00 15.25 O ATOM 523 CB HIS A 33 -4.843 -0.028 -3.855 1.00 33.43 C ATOM 524 CG HIS A 33 -5.629 -1.098 -4.549 1.00 12.03 C ATOM 525 ND1 HIS A 33 -5.050 -2.224 -5.095 1.00 31.04 N ATOM 526 CD2 HIS A 33 -6.958 -1.210 -4.782 1.00 52.03 C ATOM 527 CE1 HIS A 33 -5.988 -2.981 -5.635 1.00 53.31 C ATOM 528 NE2 HIS A 33 -7.156 -2.388 -5.459 1.00 4.45 N ATOM 0 H HIS A 33 -4.188 0.196 -6.242 1.00 42.10 H new ATOM 0 HA HIS A 33 -5.834 1.765 -4.492 1.00 53.13 H new ATOM 0 HB2 HIS A 33 -3.813 -0.364 -3.737 1.00 33.43 H new ATOM 0 HB3 HIS A 33 -5.248 0.117 -2.853 1.00 33.43 H new ATOM 0 HD2 HIS A 33 -7.721 -0.504 -4.490 1.00 52.03 H new ATOM 0 HE1 HIS A 33 -5.828 -3.925 -6.135 1.00 53.31 H new ATOM 0 HE2 HIS A 33 -8.057 -2.747 -5.775 1.00 4.45 H new ATOM 536 N ILE A 34 -2.527 2.081 -4.251 1.00 15.33 N ATOM 537 CA ILE A 34 -1.506 2.954 -3.685 1.00 63.43 C ATOM 538 C ILE A 34 -1.828 4.421 -3.951 1.00 4.20 C ATOM 539 O ILE A 34 -1.491 5.296 -3.153 1.00 73.15 O ATOM 540 CB ILE A 34 -0.112 2.633 -4.258 1.00 52.30 C ATOM 541 CG1 ILE A 34 0.230 1.159 -4.031 1.00 0.52 C ATOM 542 CG2 ILE A 34 0.940 3.531 -3.624 1.00 13.25 C ATOM 543 CD1 ILE A 34 1.541 0.740 -4.657 1.00 51.00 C ATOM 0 H ILE A 34 -2.165 1.348 -4.862 1.00 15.33 H new ATOM 0 HA ILE A 34 -1.498 2.776 -2.610 1.00 63.43 H new ATOM 0 HB ILE A 34 -0.124 2.822 -5.331 1.00 52.30 H new ATOM 0 HG12 ILE A 34 0.270 0.964 -2.959 1.00 0.52 H new ATOM 0 HG13 ILE A 34 -0.571 0.542 -4.437 1.00 0.52 H new ATOM 0 HG21 ILE A 34 1.920 3.293 -4.039 1.00 13.25 H new ATOM 0 HG22 ILE A 34 0.702 4.574 -3.833 1.00 13.25 H new ATOM 0 HG23 ILE A 34 0.953 3.371 -2.546 1.00 13.25 H new ATOM 0 HD11 ILE A 34 1.719 -0.316 -4.456 1.00 51.00 H new ATOM 0 HD12 ILE A 34 1.498 0.902 -5.734 1.00 51.00 H new ATOM 0 HD13 ILE A 34 2.352 1.332 -4.233 1.00 51.00 H new ATOM 555 N VAL A 35 -2.483 4.683 -5.078 1.00 33.54 N ATOM 556 CA VAL A 35 -2.853 6.043 -5.449 1.00 1.13 C ATOM 557 C VAL A 35 -4.115 6.487 -4.718 1.00 55.41 C ATOM 558 O VAL A 35 -4.157 7.568 -4.129 1.00 5.11 O ATOM 559 CB VAL A 35 -3.081 6.170 -6.966 1.00 44.00 C ATOM 560 CG1 VAL A 35 -3.602 7.556 -7.315 1.00 75.53 C ATOM 561 CG2 VAL A 35 -1.797 5.869 -7.724 1.00 23.24 C ATOM 0 H VAL A 35 -2.768 3.970 -5.750 1.00 33.54 H new ATOM 0 HA VAL A 35 -2.022 6.687 -5.160 1.00 1.13 H new ATOM 0 HB VAL A 35 -3.833 5.440 -7.264 1.00 44.00 H new ATOM 0 HG11 VAL A 35 -3.757 7.626 -8.392 1.00 75.53 H new ATOM 0 HG12 VAL A 35 -4.547 7.730 -6.800 1.00 75.53 H new ATOM 0 HG13 VAL A 35 -2.876 8.307 -7.003 1.00 75.53 H new ATOM 0 HG21 VAL A 35 -1.976 5.963 -8.795 1.00 23.24 H new ATOM 0 HG22 VAL A 35 -1.022 6.574 -7.422 1.00 23.24 H new ATOM 0 HG23 VAL A 35 -1.471 4.854 -7.499 1.00 23.24 H new ATOM 571 N TRP A 36 -5.143 5.648 -4.760 1.00 72.41 N ATOM 572 CA TRP A 36 -6.408 5.954 -4.101 1.00 24.31 C ATOM 573 C TRP A 36 -6.206 6.154 -2.603 1.00 50.24 C ATOM 574 O TRP A 36 -6.824 7.030 -1.997 1.00 23.20 O ATOM 575 CB TRP A 36 -7.418 4.832 -4.346 1.00 32.01 C ATOM 576 CG TRP A 36 -8.676 4.979 -3.544 1.00 11.24 C ATOM 577 CD1 TRP A 36 -9.828 5.601 -3.932 1.00 42.14 C ATOM 578 CD2 TRP A 36 -8.906 4.497 -2.215 1.00 42.15 C ATOM 579 NE1 TRP A 36 -10.761 5.535 -2.925 1.00 24.31 N ATOM 580 CE2 TRP A 36 -10.220 4.862 -1.862 1.00 74.31 C ATOM 581 CE3 TRP A 36 -8.132 3.791 -1.291 1.00 20.21 C ATOM 582 CZ2 TRP A 36 -10.773 4.544 -0.624 1.00 41.14 C ATOM 583 CZ3 TRP A 36 -8.682 3.476 -0.063 1.00 4.51 C ATOM 584 CH2 TRP A 36 -9.992 3.852 0.261 1.00 23.34 C ATOM 0 H TRP A 36 -5.126 4.750 -5.243 1.00 72.41 H new ATOM 0 HA TRP A 36 -6.795 6.881 -4.524 1.00 24.31 H new ATOM 0 HB2 TRP A 36 -7.672 4.807 -5.406 1.00 32.01 H new ATOM 0 HB3 TRP A 36 -6.953 3.876 -4.107 1.00 32.01 H new ATOM 0 HD1 TRP A 36 -9.983 6.075 -4.890 1.00 42.14 H new ATOM 0 HE1 TRP A 36 -11.703 5.924 -2.963 1.00 24.31 H new ATOM 0 HE3 TRP A 36 -7.121 3.496 -1.532 1.00 20.21 H new ATOM 0 HZ2 TRP A 36 -11.782 4.833 -0.372 1.00 41.14 H new ATOM 0 HZ3 TRP A 36 -8.092 2.931 0.659 1.00 4.51 H new ATOM 0 HH2 TRP A 36 -10.394 3.590 1.229 1.00 23.34 H new ATOM 595 N ALA A 37 -5.339 5.340 -2.012 1.00 24.41 N ATOM 596 CA ALA A 37 -5.056 5.431 -0.586 1.00 3.12 C ATOM 597 C ALA A 37 -4.377 6.753 -0.244 1.00 72.51 C ATOM 598 O ALA A 37 -4.864 7.514 0.592 1.00 14.13 O ATOM 599 CB ALA A 37 -4.188 4.261 -0.144 1.00 64.24 C ATOM 0 H ALA A 37 -4.820 4.609 -2.499 1.00 24.41 H new ATOM 0 HA ALA A 37 -6.004 5.390 -0.050 1.00 3.12 H new ATOM 0 HB1 ALA A 37 -3.984 4.342 0.924 1.00 64.24 H new ATOM 0 HB2 ALA A 37 -4.710 3.325 -0.344 1.00 64.24 H new ATOM 0 HB3 ALA A 37 -3.248 4.277 -0.695 1.00 64.24 H new ATOM 605 N SER A 38 -3.250 7.021 -0.896 1.00 24.45 N ATOM 606 CA SER A 38 -2.502 8.249 -0.657 1.00 2.03 C ATOM 607 C SER A 38 -3.402 9.471 -0.814 1.00 42.51 C ATOM 608 O SER A 38 -3.182 10.503 -0.180 1.00 23.25 O ATOM 609 CB SER A 38 -1.318 8.346 -1.621 1.00 51.42 C ATOM 610 OG SER A 38 -0.346 7.355 -1.336 1.00 2.02 O ATOM 0 H SER A 38 -2.835 6.404 -1.594 1.00 24.45 H new ATOM 0 HA SER A 38 -2.127 8.224 0.366 1.00 2.03 H new ATOM 0 HB2 SER A 38 -1.669 8.231 -2.646 1.00 51.42 H new ATOM 0 HB3 SER A 38 -0.866 9.335 -1.548 1.00 51.42 H new ATOM 0 HG SER A 38 -0.542 6.546 -1.854 1.00 2.02 H new ATOM 616 N ARG A 39 -4.415 9.347 -1.665 1.00 23.24 N ATOM 617 CA ARG A 39 -5.347 10.441 -1.907 1.00 32.33 C ATOM 618 C ARG A 39 -6.432 10.479 -0.834 1.00 4.23 C ATOM 619 O ARG A 39 -6.734 11.537 -0.283 1.00 14.24 O ATOM 620 CB ARG A 39 -5.989 10.296 -3.289 1.00 1.23 C ATOM 621 CG ARG A 39 -5.121 10.822 -4.420 1.00 51.22 C ATOM 622 CD ARG A 39 -5.965 11.346 -5.572 1.00 75.54 C ATOM 623 NE ARG A 39 -5.562 10.768 -6.852 1.00 73.22 N ATOM 624 CZ ARG A 39 -6.091 11.125 -8.018 1.00 65.01 C ATOM 625 NH1 ARG A 39 -7.036 12.053 -8.064 1.00 62.44 N ATOM 626 NH2 ARG A 39 -5.671 10.553 -9.139 1.00 41.21 N ATOM 0 H ARG A 39 -4.611 8.500 -2.198 1.00 23.24 H new ATOM 0 HA ARG A 39 -4.788 11.376 -1.868 1.00 32.33 H new ATOM 0 HB2 ARG A 39 -6.209 9.244 -3.470 1.00 1.23 H new ATOM 0 HB3 ARG A 39 -6.941 10.826 -3.296 1.00 1.23 H new ATOM 0 HG2 ARG A 39 -4.478 11.619 -4.046 1.00 51.22 H new ATOM 0 HG3 ARG A 39 -4.467 10.027 -4.779 1.00 51.22 H new ATOM 0 HD2 ARG A 39 -7.015 11.118 -5.386 1.00 75.54 H new ATOM 0 HD3 ARG A 39 -5.878 12.431 -5.621 1.00 75.54 H new ATOM 0 HE ARG A 39 -4.836 10.052 -6.851 1.00 73.22 H new ATOM 0 HH11 ARG A 39 -7.359 12.495 -7.203 1.00 62.44 H new ATOM 0 HH12 ARG A 39 -7.440 12.325 -8.960 1.00 62.44 H new ATOM 0 HH21 ARG A 39 -4.943 9.840 -9.106 1.00 41.21 H new ATOM 0 HH22 ARG A 39 -6.077 10.826 -10.034 1.00 41.21 H new ATOM 640 N GLU A 40 -7.012 9.319 -0.543 1.00 42.44 N ATOM 641 CA GLU A 40 -8.063 9.222 0.463 1.00 63.21 C ATOM 642 C GLU A 40 -7.611 9.841 1.782 1.00 1.23 C ATOM 643 O GLU A 40 -8.296 10.694 2.347 1.00 4.34 O ATOM 644 CB GLU A 40 -8.456 7.759 0.681 1.00 11.45 C ATOM 645 CG GLU A 40 -9.950 7.552 0.859 1.00 72.53 C ATOM 646 CD GLU A 40 -10.727 7.778 -0.424 1.00 33.43 C ATOM 647 OE1 GLU A 40 -10.197 8.457 -1.327 1.00 50.32 O ATOM 648 OE2 GLU A 40 -11.866 7.275 -0.524 1.00 14.13 O ATOM 0 H GLU A 40 -6.772 8.434 -0.989 1.00 42.44 H new ATOM 0 HA GLU A 40 -8.931 9.774 0.101 1.00 63.21 H new ATOM 0 HB2 GLU A 40 -8.114 7.169 -0.169 1.00 11.45 H new ATOM 0 HB3 GLU A 40 -7.937 7.379 1.561 1.00 11.45 H new ATOM 0 HG2 GLU A 40 -10.133 6.539 1.216 1.00 72.53 H new ATOM 0 HG3 GLU A 40 -10.318 8.232 1.627 1.00 72.53 H new ATOM 655 N LEU A 41 -6.454 9.405 2.268 1.00 5.35 N ATOM 656 CA LEU A 41 -5.909 9.916 3.522 1.00 72.54 C ATOM 657 C LEU A 41 -5.872 11.441 3.519 1.00 75.44 C ATOM 658 O LEU A 41 -6.141 12.079 4.536 1.00 21.13 O ATOM 659 CB LEU A 41 -4.503 9.360 3.753 1.00 13.44 C ATOM 660 CG LEU A 41 -4.411 7.859 4.030 1.00 1.23 C ATOM 661 CD1 LEU A 41 -2.969 7.386 3.933 1.00 31.34 C ATOM 662 CD2 LEU A 41 -4.990 7.533 5.400 1.00 52.13 C ATOM 0 H LEU A 41 -5.875 8.699 1.813 1.00 5.35 H new ATOM 0 HA LEU A 41 -6.560 9.589 4.333 1.00 72.54 H new ATOM 0 HB2 LEU A 41 -3.897 9.585 2.876 1.00 13.44 H new ATOM 0 HB3 LEU A 41 -4.057 9.892 4.593 1.00 13.44 H new ATOM 0 HG LEU A 41 -4.996 7.333 3.276 1.00 1.23 H new ATOM 0 HD11 LEU A 41 -2.923 6.316 4.133 1.00 31.34 H new ATOM 0 HD12 LEU A 41 -2.588 7.585 2.931 1.00 31.34 H new ATOM 0 HD13 LEU A 41 -2.361 7.918 4.665 1.00 31.34 H new ATOM 0 HD21 LEU A 41 -4.916 6.461 5.580 1.00 52.13 H new ATOM 0 HD22 LEU A 41 -4.432 8.069 6.168 1.00 52.13 H new ATOM 0 HD23 LEU A 41 -6.037 7.835 5.434 1.00 52.13 H new ATOM 674 N GLU A 42 -5.539 12.017 2.369 1.00 51.34 N ATOM 675 CA GLU A 42 -5.469 13.467 2.233 1.00 35.34 C ATOM 676 C GLU A 42 -6.806 14.112 2.589 1.00 61.53 C ATOM 677 O GLU A 42 -6.854 15.254 3.046 1.00 24.20 O ATOM 678 CB GLU A 42 -5.069 13.851 0.808 1.00 62.33 C ATOM 679 CG GLU A 42 -4.656 15.305 0.661 1.00 51.43 C ATOM 680 CD GLU A 42 -4.735 15.793 -0.772 1.00 64.13 C ATOM 681 OE1 GLU A 42 -4.805 14.944 -1.685 1.00 41.23 O ATOM 682 OE2 GLU A 42 -4.728 17.025 -0.981 1.00 65.34 O ATOM 0 H GLU A 42 -5.313 11.502 1.518 1.00 51.34 H new ATOM 0 HA GLU A 42 -4.711 13.834 2.926 1.00 35.34 H new ATOM 0 HB2 GLU A 42 -4.245 13.214 0.487 1.00 62.33 H new ATOM 0 HB3 GLU A 42 -5.906 13.651 0.139 1.00 62.33 H new ATOM 0 HG2 GLU A 42 -5.296 15.926 1.288 1.00 51.43 H new ATOM 0 HG3 GLU A 42 -3.637 15.428 1.027 1.00 51.43 H new ATOM 689 N ARG A 43 -7.889 13.372 2.374 1.00 23.54 N ATOM 690 CA ARG A 43 -9.226 13.871 2.669 1.00 11.02 C ATOM 691 C ARG A 43 -9.629 13.534 4.103 1.00 44.22 C ATOM 692 O ARG A 43 -10.517 14.167 4.675 1.00 61.23 O ATOM 693 CB ARG A 43 -10.242 13.279 1.691 1.00 2.21 C ATOM 694 CG ARG A 43 -10.871 14.310 0.768 1.00 13.53 C ATOM 695 CD ARG A 43 -12.372 14.416 0.991 1.00 62.24 C ATOM 696 NE ARG A 43 -13.126 13.631 0.017 1.00 41.13 N ATOM 697 CZ ARG A 43 -13.315 14.009 -1.243 1.00 50.13 C ATOM 698 NH1 ARG A 43 -12.809 15.154 -1.678 1.00 52.51 N ATOM 699 NH2 ARG A 43 -14.013 13.241 -2.069 1.00 50.34 N ATOM 0 H ARG A 43 -7.866 12.425 1.997 1.00 23.54 H new ATOM 0 HA ARG A 43 -9.214 14.955 2.558 1.00 11.02 H new ATOM 0 HB2 ARG A 43 -9.751 12.515 1.088 1.00 2.21 H new ATOM 0 HB3 ARG A 43 -11.030 12.781 2.256 1.00 2.21 H new ATOM 0 HG2 ARG A 43 -10.408 15.282 0.937 1.00 13.53 H new ATOM 0 HG3 ARG A 43 -10.674 14.039 -0.269 1.00 13.53 H new ATOM 0 HD2 ARG A 43 -12.614 14.075 1.997 1.00 62.24 H new ATOM 0 HD3 ARG A 43 -12.675 15.461 0.927 1.00 62.24 H new ATOM 0 HE ARG A 43 -13.529 12.745 0.320 1.00 41.13 H new ATOM 0 HH11 ARG A 43 -12.273 15.748 -1.045 1.00 52.51 H new ATOM 0 HH12 ARG A 43 -12.956 15.441 -2.646 1.00 52.51 H new ATOM 0 HH21 ARG A 43 -14.405 12.360 -1.737 1.00 50.34 H new ATOM 0 HH22 ARG A 43 -14.158 13.532 -3.036 1.00 50.34 H new ATOM 713 N PHE A 44 -8.968 12.534 4.677 1.00 14.12 N ATOM 714 CA PHE A 44 -9.258 12.111 6.042 1.00 10.10 C ATOM 715 C PHE A 44 -8.324 12.798 7.033 1.00 1.34 C ATOM 716 O PHE A 44 -7.973 12.232 8.069 1.00 75.03 O ATOM 717 CB PHE A 44 -9.124 10.593 6.168 1.00 33.43 C ATOM 718 CG PHE A 44 -10.341 9.843 5.703 1.00 15.23 C ATOM 719 CD1 PHE A 44 -10.777 9.949 4.392 1.00 31.31 C ATOM 720 CD2 PHE A 44 -11.048 9.033 6.577 1.00 14.43 C ATOM 721 CE1 PHE A 44 -11.896 9.262 3.962 1.00 15.00 C ATOM 722 CE2 PHE A 44 -12.168 8.344 6.153 1.00 74.11 C ATOM 723 CZ PHE A 44 -12.592 8.457 4.843 1.00 32.31 C ATOM 0 H PHE A 44 -8.228 12.002 4.218 1.00 14.12 H new ATOM 0 HA PHE A 44 -10.283 12.399 6.275 1.00 10.10 H new ATOM 0 HB2 PHE A 44 -8.261 10.263 5.590 1.00 33.43 H new ATOM 0 HB3 PHE A 44 -8.926 10.339 7.209 1.00 33.43 H new ATOM 0 HD1 PHE A 44 -10.236 10.576 3.698 1.00 31.31 H new ATOM 0 HD2 PHE A 44 -10.720 8.939 7.602 1.00 14.43 H new ATOM 0 HE1 PHE A 44 -12.226 9.354 2.938 1.00 15.00 H new ATOM 0 HE2 PHE A 44 -12.711 7.718 6.845 1.00 74.11 H new ATOM 0 HZ PHE A 44 -13.466 7.917 4.508 1.00 32.31 H new ATOM 733 N ALA A 45 -7.923 14.024 6.709 1.00 11.04 N ATOM 734 CA ALA A 45 -7.031 14.789 7.570 1.00 1.42 C ATOM 735 C ALA A 45 -5.786 13.984 7.925 1.00 32.25 C ATOM 736 O ALA A 45 -5.136 14.242 8.938 1.00 2.01 O ATOM 737 CB ALA A 45 -7.760 15.222 8.834 1.00 72.35 C ATOM 0 H ALA A 45 -8.203 14.508 5.856 1.00 11.04 H new ATOM 0 HA ALA A 45 -6.714 15.677 7.024 1.00 1.42 H new ATOM 0 HB1 ALA A 45 -7.081 15.793 9.468 1.00 72.35 H new ATOM 0 HB2 ALA A 45 -8.615 15.843 8.566 1.00 72.35 H new ATOM 0 HB3 ALA A 45 -8.106 14.341 9.374 1.00 72.35 H new ATOM 743 N VAL A 46 -5.460 13.007 7.086 1.00 45.30 N ATOM 744 CA VAL A 46 -4.292 12.164 7.310 1.00 24.53 C ATOM 745 C VAL A 46 -3.281 12.310 6.179 1.00 75.14 C ATOM 746 O VAL A 46 -3.602 12.078 5.013 1.00 22.54 O ATOM 747 CB VAL A 46 -4.686 10.681 7.443 1.00 50.30 C ATOM 748 CG1 VAL A 46 -3.447 9.807 7.568 1.00 54.21 C ATOM 749 CG2 VAL A 46 -5.612 10.482 8.633 1.00 21.55 C ATOM 0 H VAL A 46 -5.989 12.779 6.244 1.00 45.30 H new ATOM 0 HA VAL A 46 -3.838 12.497 8.243 1.00 24.53 H new ATOM 0 HB VAL A 46 -5.221 10.383 6.541 1.00 50.30 H new ATOM 0 HG11 VAL A 46 -3.746 8.763 7.661 1.00 54.21 H new ATOM 0 HG12 VAL A 46 -2.825 9.929 6.681 1.00 54.21 H new ATOM 0 HG13 VAL A 46 -2.881 10.102 8.452 1.00 54.21 H new ATOM 0 HG21 VAL A 46 -5.881 9.429 8.713 1.00 21.55 H new ATOM 0 HG22 VAL A 46 -5.105 10.797 9.545 1.00 21.55 H new ATOM 0 HG23 VAL A 46 -6.515 11.077 8.495 1.00 21.55 H new ATOM 759 N ASN A 47 -2.059 12.698 6.529 1.00 21.43 N ATOM 760 CA ASN A 47 -1.001 12.876 5.541 1.00 30.05 C ATOM 761 C ASN A 47 -0.588 11.535 4.940 1.00 10.30 C ATOM 762 O ASN A 47 -0.430 10.535 5.639 1.00 32.43 O ATOM 763 CB ASN A 47 0.211 13.556 6.179 1.00 43.33 C ATOM 764 CG ASN A 47 -0.151 14.861 6.863 1.00 71.13 C ATOM 765 OD1 ASN A 47 -0.711 15.765 6.243 1.00 11.12 O ATOM 766 ND2 ASN A 47 0.167 14.963 8.148 1.00 33.55 N ATOM 0 H ASN A 47 -1.777 12.895 7.489 1.00 21.43 H new ATOM 0 HA ASN A 47 -1.386 13.510 4.742 1.00 30.05 H new ATOM 0 HB2 ASN A 47 0.662 12.881 6.906 1.00 43.33 H new ATOM 0 HB3 ASN A 47 0.962 13.747 5.413 1.00 43.33 H new ATOM 0 HD21 ASN A 47 -0.053 15.817 8.662 1.00 33.55 H new ATOM 0 HD22 ASN A 47 0.631 14.188 8.622 1.00 33.55 H new ATOM 773 N PRO A 48 -0.407 11.514 3.611 1.00 44.33 N ATOM 774 CA PRO A 48 -0.009 10.304 2.885 1.00 24.02 C ATOM 775 C PRO A 48 1.430 9.895 3.186 1.00 12.01 C ATOM 776 O PRO A 48 1.895 8.851 2.734 1.00 64.12 O ATOM 777 CB PRO A 48 -0.153 10.708 1.416 1.00 72.00 C ATOM 778 CG PRO A 48 0.003 12.189 1.413 1.00 41.13 C ATOM 779 CD PRO A 48 -0.577 12.670 2.714 1.00 52.32 C ATOM 0 HA PRO A 48 -0.615 9.442 3.166 1.00 24.02 H new ATOM 0 HB2 PRO A 48 0.606 10.229 0.798 1.00 72.00 H new ATOM 0 HB3 PRO A 48 -1.123 10.411 1.017 1.00 72.00 H new ATOM 0 HG2 PRO A 48 1.052 12.470 1.326 1.00 41.13 H new ATOM 0 HG3 PRO A 48 -0.518 12.634 0.565 1.00 41.13 H new ATOM 0 HD2 PRO A 48 -0.052 13.549 3.087 1.00 52.32 H new ATOM 0 HD3 PRO A 48 -1.626 12.946 2.609 1.00 52.32 H new ATOM 787 N GLY A 49 2.129 10.727 3.954 1.00 61.24 N ATOM 788 CA GLY A 49 3.507 10.433 4.301 1.00 12.44 C ATOM 789 C GLY A 49 3.618 9.403 5.408 1.00 62.55 C ATOM 790 O GLY A 49 4.708 9.148 5.921 1.00 2.54 O ATOM 0 H GLY A 49 1.766 11.598 4.341 1.00 61.24 H new ATOM 0 HA2 GLY A 49 4.032 10.070 3.417 1.00 12.44 H new ATOM 0 HA3 GLY A 49 4.004 11.352 4.612 1.00 12.44 H new ATOM 794 N LEU A 50 2.489 8.808 5.776 1.00 1.15 N ATOM 795 CA LEU A 50 2.464 7.800 6.830 1.00 73.11 C ATOM 796 C LEU A 50 2.666 6.402 6.251 1.00 5.53 C ATOM 797 O LEU A 50 3.013 5.466 6.972 1.00 34.51 O ATOM 798 CB LEU A 50 1.138 7.862 7.591 1.00 24.13 C ATOM 799 CG LEU A 50 0.807 9.198 8.255 1.00 51.45 C ATOM 800 CD1 LEU A 50 -0.594 9.169 8.846 1.00 30.32 C ATOM 801 CD2 LEU A 50 1.834 9.530 9.327 1.00 52.41 C ATOM 0 H LEU A 50 1.579 9.006 5.360 1.00 1.15 H new ATOM 0 HA LEU A 50 3.282 8.010 7.519 1.00 73.11 H new ATOM 0 HB2 LEU A 50 0.333 7.614 6.899 1.00 24.13 H new ATOM 0 HB3 LEU A 50 1.147 7.089 8.360 1.00 24.13 H new ATOM 0 HG LEU A 50 0.841 9.978 7.494 1.00 51.45 H new ATOM 0 HD11 LEU A 50 -0.811 10.129 9.314 1.00 30.32 H new ATOM 0 HD12 LEU A 50 -1.319 8.979 8.054 1.00 30.32 H new ATOM 0 HD13 LEU A 50 -0.657 8.378 9.593 1.00 30.32 H new ATOM 0 HD21 LEU A 50 1.582 10.485 9.789 1.00 52.41 H new ATOM 0 HD22 LEU A 50 1.833 8.748 10.086 1.00 52.41 H new ATOM 0 HD23 LEU A 50 2.824 9.596 8.875 1.00 52.41 H new ATOM 813 N LEU A 51 2.451 6.271 4.947 1.00 12.41 N ATOM 814 CA LEU A 51 2.612 4.989 4.271 1.00 61.30 C ATOM 815 C LEU A 51 4.088 4.670 4.052 1.00 44.43 C ATOM 816 O LEU A 51 4.436 3.589 3.579 1.00 73.11 O ATOM 817 CB LEU A 51 1.877 5.001 2.930 1.00 54.11 C ATOM 818 CG LEU A 51 0.410 5.431 2.973 1.00 34.23 C ATOM 819 CD1 LEU A 51 0.005 6.080 1.659 1.00 61.34 C ATOM 820 CD2 LEU A 51 -0.486 4.239 3.279 1.00 51.00 C ATOM 0 H LEU A 51 2.165 7.037 4.337 1.00 12.41 H new ATOM 0 HA LEU A 51 2.182 4.215 4.907 1.00 61.30 H new ATOM 0 HB2 LEU A 51 2.410 5.667 2.252 1.00 54.11 H new ATOM 0 HB3 LEU A 51 1.929 4.000 2.501 1.00 54.11 H new ATOM 0 HG LEU A 51 0.290 6.165 3.769 1.00 34.23 H new ATOM 0 HD11 LEU A 51 -1.042 6.379 1.709 1.00 61.34 H new ATOM 0 HD12 LEU A 51 0.625 6.958 1.481 1.00 61.34 H new ATOM 0 HD13 LEU A 51 0.141 5.368 0.845 1.00 61.34 H new ATOM 0 HD21 LEU A 51 -1.526 4.563 3.306 1.00 51.00 H new ATOM 0 HD22 LEU A 51 -0.362 3.482 2.505 1.00 51.00 H new ATOM 0 HD23 LEU A 51 -0.212 3.817 4.246 1.00 51.00 H new ATOM 832 N GLU A 52 4.951 5.620 4.401 1.00 42.02 N ATOM 833 CA GLU A 52 6.390 5.439 4.242 1.00 33.13 C ATOM 834 C GLU A 52 7.052 5.145 5.585 1.00 13.11 C ATOM 835 O GLU A 52 8.088 5.720 5.919 1.00 15.01 O ATOM 836 CB GLU A 52 7.016 6.684 3.614 1.00 43.50 C ATOM 837 CG GLU A 52 6.872 7.935 4.467 1.00 65.43 C ATOM 838 CD GLU A 52 8.057 8.873 4.331 1.00 33.35 C ATOM 839 OE1 GLU A 52 8.535 9.065 3.195 1.00 52.55 O ATOM 840 OE2 GLU A 52 8.505 9.413 5.364 1.00 13.51 O ATOM 0 H GLU A 52 4.679 6.521 4.795 1.00 42.02 H new ATOM 0 HA GLU A 52 6.553 4.587 3.582 1.00 33.13 H new ATOM 0 HB2 GLU A 52 8.075 6.497 3.435 1.00 43.50 H new ATOM 0 HB3 GLU A 52 6.555 6.862 2.643 1.00 43.50 H new ATOM 0 HG2 GLU A 52 5.961 8.462 4.182 1.00 65.43 H new ATOM 0 HG3 GLU A 52 6.759 7.647 5.512 1.00 65.43 H new ATOM 847 N THR A 53 6.445 4.245 6.354 1.00 44.33 N ATOM 848 CA THR A 53 6.973 3.875 7.660 1.00 1.31 C ATOM 849 C THR A 53 6.125 2.786 8.308 1.00 43.02 C ATOM 850 O THR A 53 4.916 2.944 8.473 1.00 72.41 O ATOM 851 CB THR A 53 7.037 5.090 8.605 1.00 54.44 C ATOM 852 OG1 THR A 53 6.874 4.665 9.962 1.00 72.32 O ATOM 853 CG2 THR A 53 5.961 6.106 8.253 1.00 13.31 C ATOM 0 H THR A 53 5.587 3.759 6.093 1.00 44.33 H new ATOM 0 HA THR A 53 7.982 3.497 7.497 1.00 1.31 H new ATOM 0 HB THR A 53 8.012 5.562 8.488 1.00 54.44 H new ATOM 0 HG1 THR A 53 6.918 5.443 10.556 1.00 72.32 H new ATOM 0 HG21 THR A 53 6.026 6.955 8.934 1.00 13.31 H new ATOM 0 HG22 THR A 53 6.106 6.450 7.229 1.00 13.31 H new ATOM 0 HG23 THR A 53 4.979 5.642 8.344 1.00 13.31 H new ATOM 861 N SER A 54 6.768 1.681 8.675 1.00 54.24 N ATOM 862 CA SER A 54 6.071 0.565 9.301 1.00 21.22 C ATOM 863 C SER A 54 5.255 1.038 10.500 1.00 55.30 C ATOM 864 O SER A 54 4.154 0.546 10.747 1.00 52.11 O ATOM 865 CB SER A 54 7.072 -0.505 9.743 1.00 11.22 C ATOM 866 OG SER A 54 8.377 -0.203 9.282 1.00 44.14 O ATOM 0 H SER A 54 7.770 1.536 8.549 1.00 54.24 H new ATOM 0 HA SER A 54 5.390 0.136 8.566 1.00 21.22 H new ATOM 0 HB2 SER A 54 7.075 -0.578 10.831 1.00 11.22 H new ATOM 0 HB3 SER A 54 6.763 -1.477 9.359 1.00 11.22 H new ATOM 0 HG SER A 54 8.998 -0.900 9.579 1.00 44.14 H new ATOM 872 N GLU A 55 5.803 1.996 11.241 1.00 12.40 N ATOM 873 CA GLU A 55 5.125 2.536 12.414 1.00 22.30 C ATOM 874 C GLU A 55 4.007 3.490 12.005 1.00 13.03 C ATOM 875 O GLU A 55 3.034 3.674 12.737 1.00 64.21 O ATOM 876 CB GLU A 55 6.124 3.261 13.319 1.00 73.13 C ATOM 877 CG GLU A 55 6.051 2.830 14.774 1.00 44.21 C ATOM 878 CD GLU A 55 6.937 3.668 15.675 1.00 12.04 C ATOM 879 OE1 GLU A 55 7.406 4.732 15.222 1.00 42.24 O ATOM 880 OE2 GLU A 55 7.161 3.259 16.834 1.00 50.43 O ATOM 0 H GLU A 55 6.714 2.414 11.050 1.00 12.40 H new ATOM 0 HA GLU A 55 4.686 1.704 12.964 1.00 22.30 H new ATOM 0 HB2 GLU A 55 7.133 3.084 12.947 1.00 73.13 H new ATOM 0 HB3 GLU A 55 5.945 4.334 13.257 1.00 73.13 H new ATOM 0 HG2 GLU A 55 5.019 2.900 15.118 1.00 44.21 H new ATOM 0 HG3 GLU A 55 6.344 1.783 14.854 1.00 44.21 H new ATOM 887 N GLY A 56 4.153 4.097 10.831 1.00 20.21 N ATOM 888 CA GLY A 56 3.150 5.025 10.346 1.00 74.52 C ATOM 889 C GLY A 56 1.849 4.335 9.983 1.00 52.42 C ATOM 890 O GLY A 56 0.767 4.814 10.327 1.00 24.45 O ATOM 0 H GLY A 56 4.949 3.962 10.207 1.00 20.21 H new ATOM 0 HA2 GLY A 56 2.957 5.779 11.109 1.00 74.52 H new ATOM 0 HA3 GLY A 56 3.536 5.549 9.472 1.00 74.52 H new ATOM 894 N CYS A 57 1.953 3.210 9.284 1.00 14.31 N ATOM 895 CA CYS A 57 0.776 2.455 8.871 1.00 53.11 C ATOM 896 C CYS A 57 -0.056 2.041 10.081 1.00 54.41 C ATOM 897 O CYS A 57 -1.210 2.445 10.221 1.00 55.34 O ATOM 898 CB CYS A 57 1.191 1.217 8.075 1.00 3.41 C ATOM 899 SG CYS A 57 1.700 1.569 6.376 1.00 23.14 S ATOM 0 H CYS A 57 2.840 2.801 8.992 1.00 14.31 H new ATOM 0 HA CYS A 57 0.167 3.098 8.236 1.00 53.11 H new ATOM 0 HB2 CYS A 57 2.012 0.723 8.594 1.00 3.41 H new ATOM 0 HB3 CYS A 57 0.358 0.515 8.055 1.00 3.41 H new ATOM 0 HG CYS A 57 2.845 1.000 6.139 1.00 23.14 H new ATOM 905 N ARG A 58 0.538 1.232 10.952 1.00 15.20 N ATOM 906 CA ARG A 58 -0.149 0.760 12.148 1.00 12.23 C ATOM 907 C ARG A 58 -0.845 1.913 12.865 1.00 21.03 C ATOM 908 O ARG A 58 -1.973 1.772 13.336 1.00 1.22 O ATOM 909 CB ARG A 58 0.841 0.080 13.095 1.00 14.11 C ATOM 910 CG ARG A 58 0.350 -1.255 13.632 1.00 45.34 C ATOM 911 CD ARG A 58 -0.065 -1.150 15.091 1.00 30.13 C ATOM 912 NE ARG A 58 1.088 -1.056 15.983 1.00 65.22 N ATOM 913 CZ ARG A 58 1.923 -2.063 16.214 1.00 73.52 C ATOM 914 NH1 ARG A 58 1.734 -3.234 15.621 1.00 32.51 N ATOM 915 NH2 ARG A 58 2.950 -1.900 17.038 1.00 71.11 N ATOM 0 H ARG A 58 1.494 0.890 10.852 1.00 15.20 H new ATOM 0 HA ARG A 58 -0.904 0.036 11.842 1.00 12.23 H new ATOM 0 HB2 ARG A 58 1.785 -0.073 12.572 1.00 14.11 H new ATOM 0 HB3 ARG A 58 1.046 0.746 13.933 1.00 14.11 H new ATOM 0 HG2 ARG A 58 -0.495 -1.599 13.036 1.00 45.34 H new ATOM 0 HG3 ARG A 58 1.138 -2.002 13.529 1.00 45.34 H new ATOM 0 HD2 ARG A 58 -0.699 -0.274 15.225 1.00 30.13 H new ATOM 0 HD3 ARG A 58 -0.662 -2.021 15.361 1.00 30.13 H new ATOM 0 HE ARG A 58 1.261 -0.168 16.454 1.00 65.22 H new ATOM 0 HH11 ARG A 58 0.946 -3.363 14.986 1.00 32.51 H new ATOM 0 HH12 ARG A 58 2.376 -4.006 15.800 1.00 32.51 H new ATOM 0 HH21 ARG A 58 3.099 -1.000 17.495 1.00 71.11 H new ATOM 0 HH22 ARG A 58 3.590 -2.674 17.214 1.00 71.11 H new ATOM 929 N GLN A 59 -0.164 3.052 12.944 1.00 34.31 N ATOM 930 CA GLN A 59 -0.717 4.228 13.605 1.00 71.11 C ATOM 931 C GLN A 59 -2.007 4.678 12.926 1.00 41.22 C ATOM 932 O GLN A 59 -2.972 5.053 13.591 1.00 2.53 O ATOM 933 CB GLN A 59 0.302 5.369 13.598 1.00 0.24 C ATOM 934 CG GLN A 59 0.261 6.228 14.852 1.00 62.13 C ATOM 935 CD GLN A 59 -0.874 7.232 14.835 1.00 1.24 C ATOM 936 OE1 GLN A 59 -1.920 7.014 15.448 1.00 52.44 O ATOM 937 NE2 GLN A 59 -0.673 8.341 14.132 1.00 30.01 N ATOM 0 H GLN A 59 0.771 3.185 12.559 1.00 34.31 H new ATOM 0 HA GLN A 59 -0.945 3.960 14.637 1.00 71.11 H new ATOM 0 HB2 GLN A 59 1.302 4.951 13.486 1.00 0.24 H new ATOM 0 HB3 GLN A 59 0.122 6.001 12.728 1.00 0.24 H new ATOM 0 HG2 GLN A 59 0.158 5.584 15.726 1.00 62.13 H new ATOM 0 HG3 GLN A 59 1.208 6.758 14.956 1.00 62.13 H new ATOM 0 HE21 GLN A 59 0.209 8.480 13.640 1.00 30.01 H new ATOM 0 HE22 GLN A 59 -1.401 9.054 14.085 1.00 30.01 H new ATOM 946 N ILE A 60 -2.015 4.638 11.598 1.00 52.15 N ATOM 947 CA ILE A 60 -3.187 5.041 10.829 1.00 5.40 C ATOM 948 C ILE A 60 -4.382 4.148 11.140 1.00 22.20 C ATOM 949 O ILE A 60 -5.485 4.634 11.393 1.00 33.20 O ATOM 950 CB ILE A 60 -2.908 5.000 9.315 1.00 61.41 C ATOM 951 CG1 ILE A 60 -1.735 5.917 8.964 1.00 1.12 C ATOM 952 CG2 ILE A 60 -4.152 5.400 8.536 1.00 32.25 C ATOM 953 CD1 ILE A 60 -0.887 5.405 7.821 1.00 22.10 C ATOM 0 H ILE A 60 -1.224 4.331 11.032 1.00 52.15 H new ATOM 0 HA ILE A 60 -3.418 6.066 11.119 1.00 5.40 H new ATOM 0 HB ILE A 60 -2.642 3.980 9.038 1.00 61.41 H new ATOM 0 HG12 ILE A 60 -2.120 6.903 8.706 1.00 1.12 H new ATOM 0 HG13 ILE A 60 -1.106 6.041 9.845 1.00 1.12 H new ATOM 0 HG21 ILE A 60 -3.939 5.366 7.468 1.00 32.25 H new ATOM 0 HG22 ILE A 60 -4.963 4.709 8.766 1.00 32.25 H new ATOM 0 HG23 ILE A 60 -4.447 6.412 8.815 1.00 32.25 H new ATOM 0 HD11 ILE A 60 -0.075 6.106 7.628 1.00 22.10 H new ATOM 0 HD12 ILE A 60 -0.472 4.432 8.083 1.00 22.10 H new ATOM 0 HD13 ILE A 60 -1.502 5.308 6.927 1.00 22.10 H new ATOM 965 N LEU A 61 -4.155 2.839 11.121 1.00 73.24 N ATOM 966 CA LEU A 61 -5.214 1.875 11.403 1.00 32.03 C ATOM 967 C LEU A 61 -5.817 2.116 12.783 1.00 2.40 C ATOM 968 O LEU A 61 -7.017 1.941 12.987 1.00 51.44 O ATOM 969 CB LEU A 61 -4.669 0.448 11.314 1.00 40.31 C ATOM 970 CG LEU A 61 -4.173 0.004 9.937 1.00 34.31 C ATOM 971 CD1 LEU A 61 -2.846 -0.729 10.059 1.00 55.34 C ATOM 972 CD2 LEU A 61 -5.210 -0.877 9.256 1.00 53.14 C ATOM 0 H LEU A 61 -3.248 2.421 10.914 1.00 73.24 H new ATOM 0 HA LEU A 61 -5.998 2.005 10.657 1.00 32.03 H new ATOM 0 HB2 LEU A 61 -3.847 0.349 12.023 1.00 40.31 H new ATOM 0 HB3 LEU A 61 -5.452 -0.239 11.635 1.00 40.31 H new ATOM 0 HG LEU A 61 -4.019 0.892 9.323 1.00 34.31 H new ATOM 0 HD11 LEU A 61 -2.508 -1.037 9.070 1.00 55.34 H new ATOM 0 HD12 LEU A 61 -2.104 -0.067 10.505 1.00 55.34 H new ATOM 0 HD13 LEU A 61 -2.973 -1.609 10.690 1.00 55.34 H new ATOM 0 HD21 LEU A 61 -4.841 -1.184 8.277 1.00 53.14 H new ATOM 0 HD22 LEU A 61 -5.395 -1.760 9.867 1.00 53.14 H new ATOM 0 HD23 LEU A 61 -6.138 -0.319 9.135 1.00 53.14 H new ATOM 984 N GLY A 62 -4.974 2.521 13.729 1.00 3.20 N ATOM 985 CA GLY A 62 -5.442 2.782 15.077 1.00 33.32 C ATOM 986 C GLY A 62 -6.466 3.899 15.130 1.00 41.22 C ATOM 987 O GLY A 62 -7.399 3.856 15.931 1.00 61.32 O ATOM 0 H GLY A 62 -3.976 2.673 13.585 1.00 3.20 H new ATOM 0 HA2 GLY A 62 -5.880 1.873 15.489 1.00 33.32 H new ATOM 0 HA3 GLY A 62 -4.593 3.042 15.709 1.00 33.32 H new ATOM 991 N GLN A 63 -6.290 4.901 14.276 1.00 44.42 N ATOM 992 CA GLN A 63 -7.205 6.036 14.231 1.00 73.14 C ATOM 993 C GLN A 63 -8.574 5.610 13.710 1.00 45.00 C ATOM 994 O GLN A 63 -9.606 6.094 14.177 1.00 41.45 O ATOM 995 CB GLN A 63 -6.633 7.145 13.347 1.00 2.55 C ATOM 996 CG GLN A 63 -6.401 8.453 14.086 1.00 14.11 C ATOM 997 CD GLN A 63 -7.239 9.591 13.535 1.00 54.30 C ATOM 998 OE1 GLN A 63 -8.468 9.512 13.501 1.00 4.43 O ATOM 999 NE2 GLN A 63 -6.577 10.657 13.101 1.00 74.14 N ATOM 0 H GLN A 63 -5.523 4.951 13.606 1.00 44.42 H new ATOM 0 HA GLN A 63 -7.324 6.415 15.246 1.00 73.14 H new ATOM 0 HB2 GLN A 63 -5.689 6.807 12.919 1.00 2.55 H new ATOM 0 HB3 GLN A 63 -7.315 7.323 12.515 1.00 2.55 H new ATOM 0 HG2 GLN A 63 -6.632 8.315 15.142 1.00 14.11 H new ATOM 0 HG3 GLN A 63 -5.346 8.720 14.022 1.00 14.11 H new ATOM 0 HE21 GLN A 63 -5.558 10.679 13.148 1.00 74.14 H new ATOM 0 HE22 GLN A 63 -7.087 11.454 12.720 1.00 74.14 H new ATOM 1008 N LEU A 64 -8.576 4.702 12.741 1.00 30.24 N ATOM 1009 CA LEU A 64 -9.819 4.210 12.156 1.00 64.21 C ATOM 1010 C LEU A 64 -10.385 3.054 12.973 1.00 33.45 C ATOM 1011 O LEU A 64 -11.562 2.713 12.851 1.00 12.45 O ATOM 1012 CB LEU A 64 -9.584 3.762 10.712 1.00 4.32 C ATOM 1013 CG LEU A 64 -8.676 4.660 9.870 1.00 22.32 C ATOM 1014 CD1 LEU A 64 -8.367 4.003 8.533 1.00 34.23 C ATOM 1015 CD2 LEU A 64 -9.318 6.023 9.662 1.00 13.01 C ATOM 0 H LEU A 64 -7.731 4.291 12.343 1.00 30.24 H new ATOM 0 HA LEU A 64 -10.543 5.025 12.164 1.00 64.21 H new ATOM 0 HB2 LEU A 64 -9.156 2.760 10.729 1.00 4.32 H new ATOM 0 HB3 LEU A 64 -10.551 3.687 10.214 1.00 4.32 H new ATOM 0 HG LEU A 64 -7.738 4.802 10.407 1.00 22.32 H new ATOM 0 HD11 LEU A 64 -7.720 4.656 7.948 1.00 34.23 H new ATOM 0 HD12 LEU A 64 -7.864 3.051 8.703 1.00 34.23 H new ATOM 0 HD13 LEU A 64 -9.296 3.830 7.989 1.00 34.23 H new ATOM 0 HD21 LEU A 64 -8.658 6.648 9.061 1.00 13.01 H new ATOM 0 HD22 LEU A 64 -10.271 5.902 9.147 1.00 13.01 H new ATOM 0 HD23 LEU A 64 -9.486 6.497 10.629 1.00 13.01 H new ATOM 1027 N GLN A 65 -9.540 2.455 13.807 1.00 75.33 N ATOM 1028 CA GLN A 65 -9.959 1.338 14.645 1.00 1.34 C ATOM 1029 C GLN A 65 -11.261 1.660 15.372 1.00 60.43 C ATOM 1030 O GLN A 65 -12.273 0.975 15.216 1.00 65.23 O ATOM 1031 CB GLN A 65 -8.865 0.998 15.661 1.00 75.35 C ATOM 1032 CG GLN A 65 -8.333 -0.420 15.529 1.00 44.20 C ATOM 1033 CD GLN A 65 -9.193 -1.437 16.252 1.00 52.33 C ATOM 1034 OE1 GLN A 65 -10.404 -1.258 16.386 1.00 31.32 O ATOM 1035 NE2 GLN A 65 -8.571 -2.512 16.722 1.00 52.13 N ATOM 0 H GLN A 65 -8.563 2.724 13.920 1.00 75.33 H new ATOM 0 HA GLN A 65 -10.128 0.476 14.000 1.00 1.34 H new ATOM 0 HB2 GLN A 65 -8.039 1.700 15.542 1.00 75.35 H new ATOM 0 HB3 GLN A 65 -9.259 1.137 16.668 1.00 75.35 H new ATOM 0 HG2 GLN A 65 -8.274 -0.685 14.473 1.00 44.20 H new ATOM 0 HG3 GLN A 65 -7.318 -0.461 15.925 1.00 44.20 H new ATOM 0 HE21 GLN A 65 -7.566 -2.619 16.588 1.00 52.13 H new ATOM 0 HE22 GLN A 65 -9.099 -3.231 17.217 1.00 52.13 H new ATOM 1044 N PRO A 66 -11.238 2.726 16.185 1.00 62.20 N ATOM 1045 CA PRO A 66 -12.409 3.162 16.950 1.00 35.51 C ATOM 1046 C PRO A 66 -13.502 3.743 16.059 1.00 63.54 C ATOM 1047 O PRO A 66 -14.583 4.091 16.533 1.00 21.00 O ATOM 1048 CB PRO A 66 -11.845 4.242 17.877 1.00 25.41 C ATOM 1049 CG PRO A 66 -10.641 4.758 17.167 1.00 11.33 C ATOM 1050 CD PRO A 66 -10.068 3.588 16.419 1.00 62.51 C ATOM 0 HA PRO A 66 -12.883 2.333 17.476 1.00 35.51 H new ATOM 0 HB2 PRO A 66 -12.573 5.035 18.050 1.00 25.41 H new ATOM 0 HB3 PRO A 66 -11.584 3.830 18.852 1.00 25.41 H new ATOM 0 HG2 PRO A 66 -10.907 5.565 16.484 1.00 11.33 H new ATOM 0 HG3 PRO A 66 -9.916 5.163 17.873 1.00 11.33 H new ATOM 0 HD2 PRO A 66 -9.604 3.898 15.483 1.00 62.51 H new ATOM 0 HD3 PRO A 66 -9.301 3.076 17.001 1.00 62.51 H new ATOM 1058 N SER A 67 -13.213 3.844 14.766 1.00 25.50 N ATOM 1059 CA SER A 67 -14.170 4.386 13.809 1.00 63.44 C ATOM 1060 C SER A 67 -14.763 3.275 12.946 1.00 23.41 C ATOM 1061 O SER A 67 -15.732 3.490 12.217 1.00 14.22 O ATOM 1062 CB SER A 67 -13.496 5.432 12.919 1.00 54.31 C ATOM 1063 OG SER A 67 -14.302 6.590 12.795 1.00 1.40 O ATOM 0 H SER A 67 -12.324 3.558 14.357 1.00 25.50 H new ATOM 0 HA SER A 67 -14.977 4.860 14.368 1.00 63.44 H new ATOM 0 HB2 SER A 67 -12.527 5.702 13.340 1.00 54.31 H new ATOM 0 HB3 SER A 67 -13.308 5.008 11.932 1.00 54.31 H new ATOM 0 HG SER A 67 -13.849 7.244 12.223 1.00 1.40 H new ATOM 1069 N LEU A 68 -14.175 2.088 13.035 1.00 22.31 N ATOM 1070 CA LEU A 68 -14.644 0.942 12.263 1.00 24.13 C ATOM 1071 C LEU A 68 -16.107 0.639 12.572 1.00 3.10 C ATOM 1072 O LEU A 68 -16.823 0.084 11.741 1.00 54.21 O ATOM 1073 CB LEU A 68 -13.783 -0.287 12.563 1.00 0.32 C ATOM 1074 CG LEU A 68 -12.449 -0.370 11.820 1.00 72.34 C ATOM 1075 CD1 LEU A 68 -11.460 -1.229 12.592 1.00 21.34 C ATOM 1076 CD2 LEU A 68 -12.655 -0.921 10.417 1.00 41.00 C ATOM 0 H LEU A 68 -13.373 1.893 13.634 1.00 22.31 H new ATOM 0 HA LEU A 68 -14.559 1.189 11.205 1.00 24.13 H new ATOM 0 HB2 LEU A 68 -13.582 -0.312 13.634 1.00 0.32 H new ATOM 0 HB3 LEU A 68 -14.364 -1.179 12.327 1.00 0.32 H new ATOM 0 HG LEU A 68 -12.037 0.636 11.738 1.00 72.34 H new ATOM 0 HD11 LEU A 68 -10.517 -1.276 12.048 1.00 21.34 H new ATOM 0 HD12 LEU A 68 -11.290 -0.792 13.576 1.00 21.34 H new ATOM 0 HD13 LEU A 68 -11.864 -2.235 12.706 1.00 21.34 H new ATOM 0 HD21 LEU A 68 -11.696 -0.973 9.902 1.00 41.00 H new ATOM 0 HD22 LEU A 68 -13.089 -1.919 10.478 1.00 41.00 H new ATOM 0 HD23 LEU A 68 -13.328 -0.266 9.864 1.00 41.00 H new ATOM 1088 N GLN A 69 -16.542 1.011 13.772 1.00 42.23 N ATOM 1089 CA GLN A 69 -17.919 0.781 14.190 1.00 54.44 C ATOM 1090 C GLN A 69 -18.893 1.560 13.310 1.00 65.02 C ATOM 1091 O GLN A 69 -19.937 1.044 12.913 1.00 14.22 O ATOM 1092 CB GLN A 69 -18.105 1.182 15.653 1.00 3.13 C ATOM 1093 CG GLN A 69 -19.373 0.625 16.281 1.00 61.20 C ATOM 1094 CD GLN A 69 -19.865 1.464 17.444 1.00 22.45 C ATOM 1095 OE1 GLN A 69 -19.072 2.051 18.181 1.00 51.13 O ATOM 1096 NE2 GLN A 69 -21.180 1.523 17.618 1.00 51.45 N ATOM 0 H GLN A 69 -15.960 1.473 14.471 1.00 42.23 H new ATOM 0 HA GLN A 69 -18.131 -0.283 14.083 1.00 54.44 H new ATOM 0 HB2 GLN A 69 -17.244 0.839 16.227 1.00 3.13 H new ATOM 0 HB3 GLN A 69 -18.122 2.270 15.723 1.00 3.13 H new ATOM 0 HG2 GLN A 69 -20.154 0.568 15.523 1.00 61.20 H new ATOM 0 HG3 GLN A 69 -19.187 -0.392 16.625 1.00 61.20 H new ATOM 0 HE21 GLN A 69 -21.801 1.021 16.984 1.00 51.45 H new ATOM 0 HE22 GLN A 69 -21.569 2.070 18.386 1.00 51.45 H new ATOM 1105 N THR A 70 -18.542 2.806 13.008 1.00 70.14 N ATOM 1106 CA THR A 70 -19.383 3.657 12.175 1.00 34.04 C ATOM 1107 C THR A 70 -18.570 4.329 11.076 1.00 3.53 C ATOM 1108 O THR A 70 -18.632 5.545 10.900 1.00 12.34 O ATOM 1109 CB THR A 70 -20.088 4.740 13.013 1.00 52.01 C ATOM 1110 OG1 THR A 70 -19.135 5.712 13.460 1.00 32.33 O ATOM 1111 CG2 THR A 70 -20.792 4.124 14.212 1.00 11.14 C ATOM 0 H THR A 70 -17.681 3.249 13.328 1.00 70.14 H new ATOM 0 HA THR A 70 -20.135 3.011 11.721 1.00 34.04 H new ATOM 0 HB THR A 70 -20.834 5.226 12.384 1.00 52.01 H new ATOM 0 HG1 THR A 70 -18.835 6.250 12.698 1.00 32.33 H new ATOM 0 HG21 THR A 70 -21.282 4.908 14.788 1.00 11.14 H new ATOM 0 HG22 THR A 70 -21.537 3.407 13.868 1.00 11.14 H new ATOM 0 HG23 THR A 70 -20.062 3.615 14.841 1.00 11.14 H new ATOM 1119 N GLY A 71 -17.807 3.530 10.337 1.00 0.44 N ATOM 1120 CA GLY A 71 -16.991 4.066 9.263 1.00 55.42 C ATOM 1121 C GLY A 71 -17.592 3.810 7.895 1.00 73.01 C ATOM 1122 O GLY A 71 -18.083 2.715 7.621 1.00 70.12 O ATOM 0 H GLY A 71 -17.739 2.520 10.463 1.00 0.44 H new ATOM 0 HA2 GLY A 71 -16.866 5.139 9.407 1.00 55.42 H new ATOM 0 HA3 GLY A 71 -15.997 3.621 9.309 1.00 55.42 H new ATOM 1126 N SER A 72 -17.556 4.823 7.035 1.00 33.40 N ATOM 1127 CA SER A 72 -18.107 4.703 5.690 1.00 3.22 C ATOM 1128 C SER A 72 -17.281 3.734 4.849 1.00 11.31 C ATOM 1129 O SER A 72 -16.239 3.249 5.288 1.00 63.32 O ATOM 1130 CB SER A 72 -18.153 6.073 5.011 1.00 33.22 C ATOM 1131 OG SER A 72 -16.926 6.365 4.367 1.00 23.32 O ATOM 0 H SER A 72 -17.151 5.735 7.245 1.00 33.40 H new ATOM 0 HA SER A 72 -19.121 4.312 5.773 1.00 3.22 H new ATOM 0 HB2 SER A 72 -18.964 6.094 4.282 1.00 33.22 H new ATOM 0 HB3 SER A 72 -18.370 6.842 5.752 1.00 33.22 H new ATOM 0 HG SER A 72 -17.044 7.134 3.771 1.00 23.32 H new ATOM 1137 N GLU A 73 -17.756 3.458 3.639 1.00 62.12 N ATOM 1138 CA GLU A 73 -17.061 2.547 2.737 1.00 71.41 C ATOM 1139 C GLU A 73 -15.628 3.010 2.490 1.00 13.41 C ATOM 1140 O GLU A 73 -14.750 2.206 2.179 1.00 13.32 O ATOM 1141 CB GLU A 73 -17.811 2.441 1.407 1.00 42.34 C ATOM 1142 CG GLU A 73 -18.450 1.082 1.174 1.00 44.52 C ATOM 1143 CD GLU A 73 -18.414 0.663 -0.283 1.00 64.34 C ATOM 1144 OE1 GLU A 73 -17.304 0.578 -0.849 1.00 5.21 O ATOM 1145 OE2 GLU A 73 -19.496 0.418 -0.857 1.00 2.14 O ATOM 0 H GLU A 73 -18.618 3.851 3.261 1.00 62.12 H new ATOM 0 HA GLU A 73 -17.029 1.565 3.209 1.00 71.41 H new ATOM 0 HB2 GLU A 73 -18.585 3.207 1.374 1.00 42.34 H new ATOM 0 HB3 GLU A 73 -17.119 2.652 0.592 1.00 42.34 H new ATOM 0 HG2 GLU A 73 -17.934 0.334 1.776 1.00 44.52 H new ATOM 0 HG3 GLU A 73 -19.485 1.108 1.515 1.00 44.52 H new ATOM 1152 N GLU A 74 -15.402 4.313 2.633 1.00 72.43 N ATOM 1153 CA GLU A 74 -14.076 4.884 2.424 1.00 72.12 C ATOM 1154 C GLU A 74 -13.138 4.510 3.567 1.00 63.43 C ATOM 1155 O GLU A 74 -12.072 3.933 3.347 1.00 23.31 O ATOM 1156 CB GLU A 74 -14.167 6.406 2.301 1.00 2.12 C ATOM 1157 CG GLU A 74 -15.082 6.873 1.183 1.00 52.25 C ATOM 1158 CD GLU A 74 -15.631 8.267 1.421 1.00 35.44 C ATOM 1159 OE1 GLU A 74 -16.279 8.477 2.470 1.00 64.45 O ATOM 1160 OE2 GLU A 74 -15.416 9.146 0.562 1.00 3.11 O ATOM 0 H GLU A 74 -16.118 4.991 2.892 1.00 72.43 H new ATOM 0 HA GLU A 74 -13.673 4.475 1.497 1.00 72.12 H new ATOM 0 HB2 GLU A 74 -14.522 6.818 3.246 1.00 2.12 H new ATOM 0 HB3 GLU A 74 -13.168 6.809 2.134 1.00 2.12 H new ATOM 0 HG2 GLU A 74 -14.534 6.858 0.241 1.00 52.25 H new ATOM 0 HG3 GLU A 74 -15.911 6.173 1.081 1.00 52.25 H new ATOM 1167 N LEU A 75 -13.539 4.842 4.788 1.00 10.32 N ATOM 1168 CA LEU A 75 -12.734 4.543 5.968 1.00 73.14 C ATOM 1169 C LEU A 75 -12.416 3.053 6.046 1.00 53.23 C ATOM 1170 O LEU A 75 -11.273 2.663 6.282 1.00 2.55 O ATOM 1171 CB LEU A 75 -13.467 4.987 7.235 1.00 24.41 C ATOM 1172 CG LEU A 75 -12.668 4.900 8.536 1.00 22.21 C ATOM 1173 CD1 LEU A 75 -12.988 6.080 9.440 1.00 73.22 C ATOM 1174 CD2 LEU A 75 -12.953 3.586 9.251 1.00 40.41 C ATOM 0 H LEU A 75 -14.418 5.319 4.988 1.00 10.32 H new ATOM 0 HA LEU A 75 -11.796 5.092 5.887 1.00 73.14 H new ATOM 0 HB2 LEU A 75 -13.793 6.018 7.100 1.00 24.41 H new ATOM 0 HB3 LEU A 75 -14.366 4.380 7.343 1.00 24.41 H new ATOM 0 HG LEU A 75 -11.607 4.935 8.290 1.00 22.21 H new ATOM 0 HD11 LEU A 75 -12.410 6.000 10.361 1.00 73.22 H new ATOM 0 HD12 LEU A 75 -12.732 7.009 8.930 1.00 73.22 H new ATOM 0 HD13 LEU A 75 -14.052 6.078 9.678 1.00 73.22 H new ATOM 0 HD21 LEU A 75 -12.376 3.542 10.175 1.00 40.41 H new ATOM 0 HD22 LEU A 75 -14.016 3.522 9.484 1.00 40.41 H new ATOM 0 HD23 LEU A 75 -12.672 2.753 8.607 1.00 40.41 H new ATOM 1186 N ARG A 76 -13.436 2.224 5.841 1.00 30.25 N ATOM 1187 CA ARG A 76 -13.265 0.777 5.888 1.00 44.14 C ATOM 1188 C ARG A 76 -12.182 0.326 4.912 1.00 11.10 C ATOM 1189 O ARG A 76 -11.320 -0.482 5.256 1.00 22.53 O ATOM 1190 CB ARG A 76 -14.585 0.076 5.562 1.00 50.21 C ATOM 1191 CG ARG A 76 -14.672 -1.341 6.104 1.00 62.32 C ATOM 1192 CD ARG A 76 -16.109 -1.835 6.146 1.00 54.22 C ATOM 1193 NE ARG A 76 -16.264 -2.998 7.016 1.00 41.43 N ATOM 1194 CZ ARG A 76 -16.175 -2.941 8.340 1.00 73.23 C ATOM 1195 NH1 ARG A 76 -15.936 -1.785 8.943 1.00 60.50 N ATOM 1196 NH2 ARG A 76 -16.329 -4.043 9.063 1.00 22.32 N ATOM 0 H ARG A 76 -14.388 2.530 5.641 1.00 30.25 H new ATOM 0 HA ARG A 76 -12.956 0.505 6.897 1.00 44.14 H new ATOM 0 HB2 ARG A 76 -15.408 0.663 5.969 1.00 50.21 H new ATOM 0 HB3 ARG A 76 -14.716 0.051 4.480 1.00 50.21 H new ATOM 0 HG2 ARG A 76 -14.075 -2.007 5.481 1.00 62.32 H new ATOM 0 HG3 ARG A 76 -14.245 -1.375 7.106 1.00 62.32 H new ATOM 0 HD2 ARG A 76 -16.758 -1.032 6.496 1.00 54.22 H new ATOM 0 HD3 ARG A 76 -16.434 -2.091 5.137 1.00 54.22 H new ATOM 0 HE ARG A 76 -16.451 -3.903 6.583 1.00 41.43 H new ATOM 0 HH11 ARG A 76 -15.820 -0.936 8.390 1.00 60.50 H new ATOM 0 HH12 ARG A 76 -15.868 -1.745 9.960 1.00 60.50 H new ATOM 0 HH21 ARG A 76 -16.516 -4.934 8.602 1.00 22.32 H new ATOM 0 HH22 ARG A 76 -16.261 -4.000 10.080 1.00 22.32 H new ATOM 1210 N SER A 77 -12.232 0.855 3.694 1.00 53.12 N ATOM 1211 CA SER A 77 -11.259 0.504 2.667 1.00 33.22 C ATOM 1212 C SER A 77 -9.838 0.775 3.151 1.00 42.01 C ATOM 1213 O SER A 77 -8.967 -0.093 3.073 1.00 1.43 O ATOM 1214 CB SER A 77 -11.532 1.291 1.384 1.00 14.43 C ATOM 1215 OG SER A 77 -12.552 0.677 0.616 1.00 41.21 O ATOM 0 H SER A 77 -12.937 1.529 3.394 1.00 53.12 H new ATOM 0 HA SER A 77 -11.357 -0.561 2.458 1.00 33.22 H new ATOM 0 HB2 SER A 77 -11.825 2.311 1.635 1.00 14.43 H new ATOM 0 HB3 SER A 77 -10.618 1.358 0.793 1.00 14.43 H new ATOM 0 HG SER A 77 -13.426 1.011 0.907 1.00 41.21 H new ATOM 1221 N LEU A 78 -9.610 1.985 3.650 1.00 74.25 N ATOM 1222 CA LEU A 78 -8.294 2.373 4.147 1.00 70.44 C ATOM 1223 C LEU A 78 -7.762 1.344 5.139 1.00 71.21 C ATOM 1224 O LEU A 78 -6.652 0.835 4.985 1.00 61.45 O ATOM 1225 CB LEU A 78 -8.364 3.750 4.810 1.00 23.01 C ATOM 1226 CG LEU A 78 -7.755 4.907 4.018 1.00 51.24 C ATOM 1227 CD1 LEU A 78 -6.320 4.589 3.625 1.00 51.01 C ATOM 1228 CD2 LEU A 78 -8.593 5.210 2.785 1.00 72.23 C ATOM 0 H LEU A 78 -10.319 2.715 3.721 1.00 74.25 H new ATOM 0 HA LEU A 78 -7.611 2.419 3.299 1.00 70.44 H new ATOM 0 HB2 LEU A 78 -9.410 3.983 5.009 1.00 23.01 H new ATOM 0 HB3 LEU A 78 -7.861 3.692 5.775 1.00 23.01 H new ATOM 0 HG LEU A 78 -7.748 5.792 4.654 1.00 51.24 H new ATOM 0 HD11 LEU A 78 -5.903 5.424 3.062 1.00 51.01 H new ATOM 0 HD12 LEU A 78 -5.725 4.424 4.523 1.00 51.01 H new ATOM 0 HD13 LEU A 78 -6.302 3.691 3.008 1.00 51.01 H new ATOM 0 HD21 LEU A 78 -8.144 6.036 2.234 1.00 72.23 H new ATOM 0 HD22 LEU A 78 -8.633 4.327 2.147 1.00 72.23 H new ATOM 0 HD23 LEU A 78 -9.603 5.484 3.090 1.00 72.23 H new ATOM 1240 N TYR A 79 -8.563 1.041 6.155 1.00 62.22 N ATOM 1241 CA TYR A 79 -8.172 0.072 7.172 1.00 64.00 C ATOM 1242 C TYR A 79 -7.681 -1.223 6.532 1.00 34.50 C ATOM 1243 O TYR A 79 -6.640 -1.758 6.907 1.00 24.41 O ATOM 1244 CB TYR A 79 -9.348 -0.221 8.105 1.00 54.41 C ATOM 1245 CG TYR A 79 -8.949 -0.939 9.375 1.00 70.21 C ATOM 1246 CD1 TYR A 79 -8.317 -0.262 10.410 1.00 43.20 C ATOM 1247 CD2 TYR A 79 -9.204 -2.295 9.539 1.00 72.13 C ATOM 1248 CE1 TYR A 79 -7.950 -0.914 11.572 1.00 42.14 C ATOM 1249 CE2 TYR A 79 -8.843 -2.955 10.697 1.00 30.14 C ATOM 1250 CZ TYR A 79 -8.216 -2.260 11.710 1.00 5.12 C ATOM 1251 OH TYR A 79 -7.853 -2.914 12.865 1.00 30.24 O ATOM 0 H TYR A 79 -9.486 1.452 6.296 1.00 62.22 H new ATOM 0 HA TYR A 79 -7.355 0.501 7.751 1.00 64.00 H new ATOM 0 HB2 TYR A 79 -9.836 0.718 8.366 1.00 54.41 H new ATOM 0 HB3 TYR A 79 -10.082 -0.825 7.572 1.00 54.41 H new ATOM 0 HD1 TYR A 79 -8.109 0.792 10.305 1.00 43.20 H new ATOM 0 HD2 TYR A 79 -9.693 -2.842 8.747 1.00 72.13 H new ATOM 0 HE1 TYR A 79 -7.458 -0.373 12.367 1.00 42.14 H new ATOM 0 HE2 TYR A 79 -9.050 -4.009 10.809 1.00 30.14 H new ATOM 0 HH TYR A 79 -8.113 -3.857 12.802 1.00 30.24 H new ATOM 1261 N ASN A 80 -8.442 -1.721 5.562 1.00 32.01 N ATOM 1262 CA ASN A 80 -8.086 -2.954 4.868 1.00 45.50 C ATOM 1263 C ASN A 80 -6.852 -2.748 3.994 1.00 34.42 C ATOM 1264 O ASN A 80 -6.157 -3.704 3.649 1.00 44.12 O ATOM 1265 CB ASN A 80 -9.257 -3.437 4.011 1.00 20.11 C ATOM 1266 CG ASN A 80 -10.570 -3.430 4.770 1.00 54.31 C ATOM 1267 OD1 ASN A 80 -10.622 -3.781 5.948 1.00 21.34 O ATOM 1268 ND2 ASN A 80 -11.641 -3.027 4.095 1.00 51.52 N ATOM 0 H ASN A 80 -9.308 -1.290 5.239 1.00 32.01 H new ATOM 0 HA ASN A 80 -7.857 -3.711 5.618 1.00 45.50 H new ATOM 0 HB2 ASN A 80 -9.346 -2.801 3.130 1.00 20.11 H new ATOM 0 HB3 ASN A 80 -9.051 -4.447 3.655 1.00 20.11 H new ATOM 0 HD21 ASN A 80 -12.552 -3.000 4.553 1.00 51.52 H new ATOM 0 HD22 ASN A 80 -11.552 -2.745 3.119 1.00 51.52 H new ATOM 1275 N THR A 81 -6.586 -1.496 3.639 1.00 1.35 N ATOM 1276 CA THR A 81 -5.438 -1.164 2.806 1.00 22.21 C ATOM 1277 C THR A 81 -4.162 -1.075 3.636 1.00 34.52 C ATOM 1278 O THR A 81 -3.262 -1.904 3.499 1.00 32.12 O ATOM 1279 CB THR A 81 -5.647 0.169 2.063 1.00 32.25 C ATOM 1280 OG1 THR A 81 -6.954 0.204 1.479 1.00 74.23 O ATOM 1281 CG2 THR A 81 -4.596 0.357 0.981 1.00 73.41 C ATOM 0 H THR A 81 -7.151 -0.693 3.916 1.00 1.35 H new ATOM 0 HA THR A 81 -5.338 -1.966 2.075 1.00 22.21 H new ATOM 0 HB THR A 81 -5.550 0.981 2.784 1.00 32.25 H new ATOM 0 HG1 THR A 81 -7.619 0.384 2.176 1.00 74.23 H new ATOM 0 HG21 THR A 81 -4.765 1.305 0.471 1.00 73.41 H new ATOM 0 HG22 THR A 81 -3.604 0.360 1.434 1.00 73.41 H new ATOM 0 HG23 THR A 81 -4.664 -0.459 0.262 1.00 73.41 H new ATOM 1289 N ILE A 82 -4.093 -0.066 4.498 1.00 32.43 N ATOM 1290 CA ILE A 82 -2.928 0.130 5.353 1.00 72.51 C ATOM 1291 C ILE A 82 -2.524 -1.172 6.037 1.00 4.11 C ATOM 1292 O ILE A 82 -1.339 -1.434 6.243 1.00 3.35 O ATOM 1293 CB ILE A 82 -3.191 1.201 6.427 1.00 30.33 C ATOM 1294 CG1 ILE A 82 -3.601 2.522 5.772 1.00 73.32 C ATOM 1295 CG2 ILE A 82 -1.958 1.394 7.296 1.00 20.11 C ATOM 1296 CD1 ILE A 82 -4.841 3.138 6.380 1.00 55.41 C ATOM 0 H ILE A 82 -4.830 0.628 4.623 1.00 32.43 H new ATOM 0 HA ILE A 82 -2.116 0.467 4.708 1.00 72.51 H new ATOM 0 HB ILE A 82 -4.010 0.863 7.063 1.00 30.33 H new ATOM 0 HG12 ILE A 82 -2.776 3.230 5.853 1.00 73.32 H new ATOM 0 HG13 ILE A 82 -3.773 2.353 4.709 1.00 73.32 H new ATOM 0 HG21 ILE A 82 -2.160 2.154 8.050 1.00 20.11 H new ATOM 0 HG22 ILE A 82 -1.708 0.453 7.787 1.00 20.11 H new ATOM 0 HG23 ILE A 82 -1.121 1.713 6.675 1.00 20.11 H new ATOM 0 HD11 ILE A 82 -5.073 4.071 5.867 1.00 55.41 H new ATOM 0 HD12 ILE A 82 -5.679 2.449 6.275 1.00 55.41 H new ATOM 0 HD13 ILE A 82 -4.667 3.339 7.437 1.00 55.41 H new ATOM 1308 N ALA A 83 -3.516 -1.985 6.383 1.00 34.51 N ATOM 1309 CA ALA A 83 -3.263 -3.262 7.040 1.00 13.32 C ATOM 1310 C ALA A 83 -2.411 -4.172 6.163 1.00 51.42 C ATOM 1311 O ALA A 83 -1.575 -4.926 6.661 1.00 33.11 O ATOM 1312 CB ALA A 83 -4.577 -3.943 7.392 1.00 74.35 C ATOM 0 H ALA A 83 -4.502 -1.783 6.220 1.00 34.51 H new ATOM 0 HA ALA A 83 -2.710 -3.067 7.959 1.00 13.32 H new ATOM 0 HB1 ALA A 83 -4.374 -4.895 7.882 1.00 74.35 H new ATOM 0 HB2 ALA A 83 -5.149 -3.304 8.064 1.00 74.35 H new ATOM 0 HB3 ALA A 83 -5.151 -4.118 6.482 1.00 74.35 H new ATOM 1318 N VAL A 84 -2.627 -4.096 4.854 1.00 2.31 N ATOM 1319 CA VAL A 84 -1.878 -4.913 3.906 1.00 0.43 C ATOM 1320 C VAL A 84 -0.494 -4.327 3.651 1.00 31.14 C ATOM 1321 O VAL A 84 0.452 -5.053 3.339 1.00 33.33 O ATOM 1322 CB VAL A 84 -2.624 -5.044 2.565 1.00 4.53 C ATOM 1323 CG1 VAL A 84 -1.849 -5.937 1.608 1.00 41.41 C ATOM 1324 CG2 VAL A 84 -4.030 -5.581 2.788 1.00 11.42 C ATOM 0 H VAL A 84 -3.315 -3.477 4.425 1.00 2.31 H new ATOM 0 HA VAL A 84 -1.774 -5.902 4.352 1.00 0.43 H new ATOM 0 HB VAL A 84 -2.705 -4.054 2.116 1.00 4.53 H new ATOM 0 HG11 VAL A 84 -2.391 -6.018 0.666 1.00 41.41 H new ATOM 0 HG12 VAL A 84 -0.865 -5.506 1.424 1.00 41.41 H new ATOM 0 HG13 VAL A 84 -1.735 -6.928 2.047 1.00 41.41 H new ATOM 0 HG21 VAL A 84 -4.543 -5.667 1.830 1.00 11.42 H new ATOM 0 HG22 VAL A 84 -3.974 -6.562 3.259 1.00 11.42 H new ATOM 0 HG23 VAL A 84 -4.582 -4.899 3.435 1.00 11.42 H new ATOM 1334 N LEU A 85 -0.381 -3.011 3.785 1.00 4.31 N ATOM 1335 CA LEU A 85 0.890 -2.327 3.569 1.00 11.32 C ATOM 1336 C LEU A 85 1.838 -2.556 4.742 1.00 2.11 C ATOM 1337 O LEU A 85 3.007 -2.894 4.551 1.00 1.34 O ATOM 1338 CB LEU A 85 0.657 -0.827 3.374 1.00 73.13 C ATOM 1339 CG LEU A 85 1.913 0.038 3.259 1.00 35.44 C ATOM 1340 CD1 LEU A 85 2.826 -0.489 2.164 1.00 31.23 C ATOM 1341 CD2 LEU A 85 1.538 1.489 2.992 1.00 23.43 C ATOM 0 H LEU A 85 -1.153 -2.396 4.042 1.00 4.31 H new ATOM 0 HA LEU A 85 1.348 -2.739 2.669 1.00 11.32 H new ATOM 0 HB2 LEU A 85 0.060 -0.687 2.473 1.00 73.13 H new ATOM 0 HB3 LEU A 85 0.063 -0.460 4.211 1.00 73.13 H new ATOM 0 HG LEU A 85 2.452 -0.009 4.205 1.00 35.44 H new ATOM 0 HD11 LEU A 85 3.714 0.139 2.097 1.00 31.23 H new ATOM 0 HD12 LEU A 85 3.122 -1.512 2.398 1.00 31.23 H new ATOM 0 HD13 LEU A 85 2.298 -0.473 1.211 1.00 31.23 H new ATOM 0 HD21 LEU A 85 2.444 2.090 2.913 1.00 23.43 H new ATOM 0 HD22 LEU A 85 0.977 1.554 2.060 1.00 23.43 H new ATOM 0 HD23 LEU A 85 0.925 1.863 3.812 1.00 23.43 H new ATOM 1353 N TYR A 86 1.327 -2.374 5.954 1.00 44.13 N ATOM 1354 CA TYR A 86 2.129 -2.560 7.158 1.00 63.32 C ATOM 1355 C TYR A 86 2.913 -3.867 7.092 1.00 74.42 C ATOM 1356 O TYR A 86 4.057 -3.941 7.542 1.00 64.50 O ATOM 1357 CB TYR A 86 1.234 -2.551 8.398 1.00 14.22 C ATOM 1358 CG TYR A 86 1.954 -2.948 9.667 1.00 2.31 C ATOM 1359 CD1 TYR A 86 2.623 -2.003 10.434 1.00 4.43 C ATOM 1360 CD2 TYR A 86 1.964 -4.269 10.100 1.00 41.54 C ATOM 1361 CE1 TYR A 86 3.283 -2.361 11.594 1.00 51.54 C ATOM 1362 CE2 TYR A 86 2.620 -4.635 11.259 1.00 70.44 C ATOM 1363 CZ TYR A 86 3.278 -3.678 12.002 1.00 62.13 C ATOM 1364 OH TYR A 86 3.933 -4.039 13.158 1.00 51.44 O ATOM 0 H TYR A 86 0.361 -2.098 6.129 1.00 44.13 H new ATOM 0 HA TYR A 86 2.838 -1.735 7.224 1.00 63.32 H new ATOM 0 HB2 TYR A 86 0.814 -1.553 8.525 1.00 14.22 H new ATOM 0 HB3 TYR A 86 0.397 -3.231 8.237 1.00 14.22 H new ATOM 0 HD1 TYR A 86 2.627 -0.970 10.118 1.00 4.43 H new ATOM 0 HD2 TYR A 86 1.450 -5.022 9.520 1.00 41.54 H new ATOM 0 HE1 TYR A 86 3.800 -1.614 12.178 1.00 51.54 H new ATOM 0 HE2 TYR A 86 2.618 -5.666 11.582 1.00 70.44 H new ATOM 0 HH TYR A 86 3.832 -5.003 13.304 1.00 51.44 H new ATOM 1374 N CYS A 87 2.289 -4.896 6.529 1.00 14.01 N ATOM 1375 CA CYS A 87 2.927 -6.202 6.404 1.00 54.12 C ATOM 1376 C CYS A 87 4.182 -6.114 5.542 1.00 1.03 C ATOM 1377 O CYS A 87 5.214 -6.703 5.868 1.00 73.34 O ATOM 1378 CB CYS A 87 1.951 -7.214 5.801 1.00 72.31 C ATOM 1379 SG CYS A 87 0.656 -7.759 6.940 1.00 62.34 S ATOM 0 H CYS A 87 1.342 -4.851 6.152 1.00 14.01 H new ATOM 0 HA CYS A 87 3.215 -6.535 7.401 1.00 54.12 H new ATOM 0 HB2 CYS A 87 1.484 -6.772 4.921 1.00 72.31 H new ATOM 0 HB3 CYS A 87 2.511 -8.085 5.461 1.00 72.31 H new ATOM 0 HG CYS A 87 -0.290 -6.868 6.980 1.00 62.34 H new ATOM 1385 N VAL A 88 4.088 -5.374 4.442 1.00 63.22 N ATOM 1386 CA VAL A 88 5.216 -5.209 3.533 1.00 45.11 C ATOM 1387 C VAL A 88 6.448 -4.700 4.273 1.00 13.10 C ATOM 1388 O VAL A 88 7.443 -5.413 4.409 1.00 41.41 O ATOM 1389 CB VAL A 88 4.877 -4.234 2.390 1.00 44.33 C ATOM 1390 CG1 VAL A 88 6.126 -3.894 1.591 1.00 51.15 C ATOM 1391 CG2 VAL A 88 3.802 -4.822 1.490 1.00 31.22 C ATOM 0 H VAL A 88 3.242 -4.879 4.159 1.00 63.22 H new ATOM 0 HA VAL A 88 5.430 -6.191 3.111 1.00 45.11 H new ATOM 0 HB VAL A 88 4.490 -3.312 2.824 1.00 44.33 H new ATOM 0 HG11 VAL A 88 5.867 -3.204 0.788 1.00 51.15 H new ATOM 0 HG12 VAL A 88 6.862 -3.428 2.247 1.00 51.15 H new ATOM 0 HG13 VAL A 88 6.545 -4.806 1.165 1.00 51.15 H new ATOM 0 HG21 VAL A 88 3.575 -4.120 0.688 1.00 31.22 H new ATOM 0 HG22 VAL A 88 4.158 -5.759 1.062 1.00 31.22 H new ATOM 0 HG23 VAL A 88 2.901 -5.009 2.074 1.00 31.22 H new ATOM 1401 N HIS A 89 6.375 -3.461 4.751 1.00 13.13 N ATOM 1402 CA HIS A 89 7.484 -2.855 5.480 1.00 11.21 C ATOM 1403 C HIS A 89 7.887 -3.720 6.671 1.00 0.43 C ATOM 1404 O HIS A 89 9.033 -3.590 7.100 1.00 41.33 O ATOM 1405 CB HIS A 89 7.103 -1.454 5.958 1.00 52.51 C ATOM 1406 CG HIS A 89 6.693 -0.534 4.849 1.00 1.31 C ATOM 1407 ND1 HIS A 89 7.468 -0.311 3.731 1.00 43.41 N ATOM 1408 CD2 HIS A 89 5.581 0.222 4.690 1.00 4.44 C ATOM 1409 CE1 HIS A 89 6.851 0.543 2.933 1.00 5.20 C ATOM 1410 NE2 HIS A 89 5.703 0.881 3.492 1.00 2.44 N ATOM 0 H HIS A 89 5.559 -2.857 4.646 1.00 13.13 H new ATOM 0 HA HIS A 89 8.335 -2.780 4.803 1.00 11.21 H new ATOM 0 HB2 HIS A 89 6.285 -1.533 6.674 1.00 52.51 H new ATOM 0 HB3 HIS A 89 7.950 -1.017 6.488 1.00 52.51 H new ATOM 0 HD2 HIS A 89 4.752 0.293 5.378 1.00 4.44 H new ATOM 0 HE1 HIS A 89 7.222 0.903 1.985 1.00 5.20 H new ATOM 0 HE2 HIS A 89 5.019 1.526 3.098 1.00 2.44 H new ATOM 1419 N GLN A 90 7.007 -4.566 7.197 1.00 43.21 N ATOM 1420 CA GLN A 90 7.348 -5.412 8.336 1.00 54.45 C ATOM 1421 C GLN A 90 7.960 -6.728 7.872 1.00 64.32 C ATOM 1422 O GLN A 90 8.177 -7.639 8.671 1.00 32.45 O ATOM 1423 CB GLN A 90 6.106 -5.683 9.185 1.00 73.04 C ATOM 1424 CG GLN A 90 6.423 -6.091 10.614 1.00 55.10 C ATOM 1425 CD GLN A 90 6.871 -4.922 11.468 1.00 1.14 C ATOM 1426 OE1 GLN A 90 7.461 -3.963 10.969 1.00 12.05 O ATOM 1427 NE2 GLN A 90 6.591 -4.994 12.765 1.00 2.25 N ATOM 0 H GLN A 90 6.054 -4.684 6.854 1.00 43.21 H new ATOM 0 HA GLN A 90 8.085 -4.885 8.942 1.00 54.45 H new ATOM 0 HB2 GLN A 90 5.485 -4.788 9.201 1.00 73.04 H new ATOM 0 HB3 GLN A 90 5.518 -6.470 8.713 1.00 73.04 H new ATOM 0 HG2 GLN A 90 5.540 -6.546 11.062 1.00 55.10 H new ATOM 0 HG3 GLN A 90 7.204 -6.851 10.606 1.00 55.10 H new ATOM 0 HE21 GLN A 90 6.100 -5.807 13.136 1.00 2.25 H new ATOM 0 HE22 GLN A 90 6.867 -4.236 13.389 1.00 2.25 H new ATOM 1436 N ARG A 91 8.237 -6.823 6.575 1.00 31.30 N ATOM 1437 CA ARG A 91 8.822 -8.030 6.005 1.00 43.03 C ATOM 1438 C ARG A 91 7.781 -9.141 5.895 1.00 43.11 C ATOM 1439 O ARG A 91 8.065 -10.221 5.376 1.00 31.04 O ATOM 1440 CB ARG A 91 10.000 -8.504 6.859 1.00 31.32 C ATOM 1441 CG ARG A 91 11.062 -9.253 6.072 1.00 75.14 C ATOM 1442 CD ARG A 91 11.775 -10.282 6.935 1.00 51.33 C ATOM 1443 NE ARG A 91 13.185 -9.950 7.129 1.00 72.43 N ATOM 1444 CZ ARG A 91 14.014 -10.674 7.871 1.00 24.34 C ATOM 1445 NH1 ARG A 91 13.579 -11.766 8.486 1.00 53.55 N ATOM 1446 NH2 ARG A 91 15.283 -10.309 8.000 1.00 71.25 N ATOM 0 H ARG A 91 8.065 -6.078 5.900 1.00 31.30 H new ATOM 0 HA ARG A 91 9.180 -7.791 5.004 1.00 43.03 H new ATOM 0 HB2 ARG A 91 10.459 -7.641 7.341 1.00 31.32 H new ATOM 0 HB3 ARG A 91 9.625 -9.150 7.653 1.00 31.32 H new ATOM 0 HG2 ARG A 91 10.601 -9.750 5.218 1.00 75.14 H new ATOM 0 HG3 ARG A 91 11.788 -8.544 5.674 1.00 75.14 H new ATOM 0 HD2 ARG A 91 11.281 -10.347 7.904 1.00 51.33 H new ATOM 0 HD3 ARG A 91 11.694 -11.264 6.469 1.00 51.33 H new ATOM 0 HE ARG A 91 13.552 -9.117 6.669 1.00 72.43 H new ATOM 0 HH11 ARG A 91 12.605 -12.052 8.389 1.00 53.55 H new ATOM 0 HH12 ARG A 91 14.219 -12.320 9.055 1.00 53.55 H new ATOM 0 HH21 ARG A 91 15.623 -9.471 7.529 1.00 71.25 H new ATOM 0 HH22 ARG A 91 15.919 -10.867 8.571 1.00 71.25 H new ATOM 1460 N ILE A 92 6.578 -8.866 6.386 1.00 74.32 N ATOM 1461 CA ILE A 92 5.495 -9.841 6.341 1.00 34.35 C ATOM 1462 C ILE A 92 4.905 -9.945 4.939 1.00 40.45 C ATOM 1463 O ILE A 92 4.654 -8.933 4.284 1.00 54.04 O ATOM 1464 CB ILE A 92 4.372 -9.481 7.333 1.00 63.04 C ATOM 1465 CG1 ILE A 92 4.926 -9.402 8.756 1.00 21.54 C ATOM 1466 CG2 ILE A 92 3.247 -10.501 7.252 1.00 60.25 C ATOM 1467 CD1 ILE A 92 3.990 -8.725 9.733 1.00 74.00 C ATOM 0 H ILE A 92 6.328 -7.977 6.819 1.00 74.32 H new ATOM 0 HA ILE A 92 5.925 -10.802 6.623 1.00 34.35 H new ATOM 0 HB ILE A 92 3.970 -8.504 7.065 1.00 63.04 H new ATOM 0 HG12 ILE A 92 5.140 -10.410 9.110 1.00 21.54 H new ATOM 0 HG13 ILE A 92 5.873 -8.862 8.739 1.00 21.54 H new ATOM 0 HG21 ILE A 92 2.461 -10.233 7.959 1.00 60.25 H new ATOM 0 HG22 ILE A 92 2.838 -10.512 6.242 1.00 60.25 H new ATOM 0 HG23 ILE A 92 3.634 -11.490 7.498 1.00 60.25 H new ATOM 0 HD11 ILE A 92 4.448 -8.705 10.722 1.00 74.00 H new ATOM 0 HD12 ILE A 92 3.795 -7.705 9.403 1.00 74.00 H new ATOM 0 HD13 ILE A 92 3.051 -9.277 9.780 1.00 74.00 H new ATOM 1479 N ASP A 93 4.685 -11.173 4.485 1.00 21.30 N ATOM 1480 CA ASP A 93 4.122 -11.410 3.161 1.00 53.42 C ATOM 1481 C ASP A 93 2.787 -12.141 3.261 1.00 12.12 C ATOM 1482 O ASP A 93 2.544 -13.113 2.545 1.00 34.24 O ATOM 1483 CB ASP A 93 5.098 -12.219 2.305 1.00 73.11 C ATOM 1484 CG ASP A 93 4.826 -12.071 0.821 1.00 70.54 C ATOM 1485 OD1 ASP A 93 3.971 -12.816 0.297 1.00 33.51 O ATOM 1486 OD2 ASP A 93 5.467 -11.211 0.184 1.00 41.43 O ATOM 0 H ASP A 93 4.888 -12.021 5.015 1.00 21.30 H new ATOM 0 HA ASP A 93 3.952 -10.443 2.688 1.00 53.42 H new ATOM 0 HB2 ASP A 93 6.117 -11.897 2.519 1.00 73.11 H new ATOM 0 HB3 ASP A 93 5.032 -13.272 2.580 1.00 73.11 H new ATOM 1491 N VAL A 94 1.924 -11.667 4.155 1.00 22.50 N ATOM 1492 CA VAL A 94 0.613 -12.276 4.349 1.00 41.22 C ATOM 1493 C VAL A 94 0.146 -12.991 3.086 1.00 3.34 C ATOM 1494 O VAL A 94 0.243 -12.454 1.983 1.00 42.23 O ATOM 1495 CB VAL A 94 -0.439 -11.225 4.750 1.00 74.51 C ATOM 1496 CG1 VAL A 94 -0.394 -10.968 6.248 1.00 31.24 C ATOM 1497 CG2 VAL A 94 -0.226 -9.935 3.972 1.00 75.30 C ATOM 0 H VAL A 94 2.109 -10.864 4.756 1.00 22.50 H new ATOM 0 HA VAL A 94 0.717 -13.002 5.155 1.00 41.22 H new ATOM 0 HB VAL A 94 -1.427 -11.613 4.503 1.00 74.51 H new ATOM 0 HG11 VAL A 94 -1.144 -10.223 6.512 1.00 31.24 H new ATOM 0 HG12 VAL A 94 -0.600 -11.895 6.783 1.00 31.24 H new ATOM 0 HG13 VAL A 94 0.595 -10.601 6.525 1.00 31.24 H new ATOM 0 HG21 VAL A 94 -0.978 -9.203 4.268 1.00 75.30 H new ATOM 0 HG22 VAL A 94 0.768 -9.541 4.186 1.00 75.30 H new ATOM 0 HG23 VAL A 94 -0.315 -10.135 2.904 1.00 75.30 H new ATOM 1507 N LYS A 95 -0.361 -14.207 3.255 1.00 32.31 N ATOM 1508 CA LYS A 95 -0.845 -14.998 2.129 1.00 11.32 C ATOM 1509 C LYS A 95 -2.067 -14.345 1.492 1.00 41.21 C ATOM 1510 O LYS A 95 -2.434 -14.665 0.362 1.00 54.24 O ATOM 1511 CB LYS A 95 -1.192 -16.416 2.587 1.00 13.02 C ATOM 1512 CG LYS A 95 -0.047 -17.127 3.287 1.00 0.24 C ATOM 1513 CD LYS A 95 -0.201 -18.638 3.215 1.00 50.52 C ATOM 1514 CE LYS A 95 1.132 -19.343 3.413 1.00 32.03 C ATOM 1515 NZ LYS A 95 1.484 -19.470 4.854 1.00 1.33 N ATOM 0 H LYS A 95 -0.448 -14.667 4.161 1.00 32.31 H new ATOM 0 HA LYS A 95 -0.051 -15.048 1.384 1.00 11.32 H new ATOM 0 HB2 LYS A 95 -2.047 -16.372 3.261 1.00 13.02 H new ATOM 0 HB3 LYS A 95 -1.498 -17.003 1.721 1.00 13.02 H new ATOM 0 HG2 LYS A 95 0.898 -16.835 2.829 1.00 0.24 H new ATOM 0 HG3 LYS A 95 -0.007 -16.814 4.330 1.00 0.24 H new ATOM 0 HD2 LYS A 95 -0.906 -18.970 3.977 1.00 50.52 H new ATOM 0 HD3 LYS A 95 -0.621 -18.917 2.249 1.00 50.52 H new ATOM 0 HE2 LYS A 95 1.089 -20.334 2.961 1.00 32.03 H new ATOM 0 HE3 LYS A 95 1.916 -18.790 2.895 1.00 32.03 H new ATOM 0 HZ1 LYS A 95 2.399 -19.956 4.946 1.00 1.33 H new ATOM 0 HZ2 LYS A 95 1.550 -18.524 5.280 1.00 1.33 H new ATOM 0 HZ3 LYS A 95 0.749 -20.020 5.344 1.00 1.33 H new ATOM 1529 N ASP A 96 -2.691 -13.428 2.223 1.00 0.24 N ATOM 1530 CA ASP A 96 -3.870 -12.727 1.727 1.00 70.41 C ATOM 1531 C ASP A 96 -4.267 -11.596 2.671 1.00 72.14 C ATOM 1532 O ASP A 96 -3.662 -11.414 3.728 1.00 13.35 O ATOM 1533 CB ASP A 96 -5.037 -13.703 1.562 1.00 34.05 C ATOM 1534 CG ASP A 96 -5.145 -14.677 2.718 1.00 15.42 C ATOM 1535 OD1 ASP A 96 -5.237 -14.217 3.876 1.00 14.21 O ATOM 1536 OD2 ASP A 96 -5.140 -15.900 2.467 1.00 51.44 O ATOM 0 H ASP A 96 -2.400 -13.153 3.161 1.00 0.24 H new ATOM 0 HA ASP A 96 -3.625 -12.297 0.756 1.00 70.41 H new ATOM 0 HB2 ASP A 96 -5.967 -13.141 1.476 1.00 34.05 H new ATOM 0 HB3 ASP A 96 -4.913 -14.259 0.633 1.00 34.05 H new ATOM 1541 N THR A 97 -5.286 -10.837 2.280 1.00 13.45 N ATOM 1542 CA THR A 97 -5.763 -9.722 3.089 1.00 22.22 C ATOM 1543 C THR A 97 -6.450 -10.216 4.357 1.00 20.01 C ATOM 1544 O THR A 97 -6.704 -9.442 5.281 1.00 62.31 O ATOM 1545 CB THR A 97 -6.743 -8.834 2.301 1.00 53.04 C ATOM 1546 OG1 THR A 97 -6.138 -8.404 1.076 1.00 61.32 O ATOM 1547 CG2 THR A 97 -7.155 -7.622 3.121 1.00 10.14 C ATOM 0 H THR A 97 -5.797 -10.974 1.408 1.00 13.45 H new ATOM 0 HA THR A 97 -4.887 -9.132 3.360 1.00 22.22 H new ATOM 0 HB THR A 97 -7.633 -9.422 2.079 1.00 53.04 H new ATOM 0 HG1 THR A 97 -5.797 -9.183 0.589 1.00 61.32 H new ATOM 0 HG21 THR A 97 -7.847 -7.010 2.543 1.00 10.14 H new ATOM 0 HG22 THR A 97 -7.642 -7.952 4.039 1.00 10.14 H new ATOM 0 HG23 THR A 97 -6.272 -7.034 3.370 1.00 10.14 H new ATOM 1555 N LYS A 98 -6.748 -11.510 4.397 1.00 25.51 N ATOM 1556 CA LYS A 98 -7.404 -12.110 5.553 1.00 24.31 C ATOM 1557 C LYS A 98 -6.444 -12.207 6.734 1.00 23.23 C ATOM 1558 O LYS A 98 -6.747 -11.737 7.831 1.00 64.43 O ATOM 1559 CB LYS A 98 -7.936 -13.501 5.199 1.00 44.04 C ATOM 1560 CG LYS A 98 -8.993 -14.011 6.162 1.00 70.15 C ATOM 1561 CD LYS A 98 -10.380 -13.966 5.543 1.00 65.23 C ATOM 1562 CE LYS A 98 -10.961 -12.561 5.580 1.00 31.04 C ATOM 1563 NZ LYS A 98 -11.512 -12.224 6.923 1.00 75.33 N ATOM 0 H LYS A 98 -6.545 -12.164 3.641 1.00 25.51 H new ATOM 0 HA LYS A 98 -8.239 -11.470 5.838 1.00 24.31 H new ATOM 0 HB2 LYS A 98 -8.355 -13.475 4.193 1.00 44.04 H new ATOM 0 HB3 LYS A 98 -7.104 -14.205 5.180 1.00 44.04 H new ATOM 0 HG2 LYS A 98 -8.757 -15.034 6.454 1.00 70.15 H new ATOM 0 HG3 LYS A 98 -8.979 -13.409 7.071 1.00 70.15 H new ATOM 0 HD2 LYS A 98 -10.331 -14.313 4.511 1.00 65.23 H new ATOM 0 HD3 LYS A 98 -11.041 -14.648 6.078 1.00 65.23 H new ATOM 0 HE2 LYS A 98 -10.187 -11.841 5.314 1.00 31.04 H new ATOM 0 HE3 LYS A 98 -11.749 -12.474 4.832 1.00 31.04 H new ATOM 0 HZ1 LYS A 98 -11.899 -11.259 6.907 1.00 75.33 H new ATOM 0 HZ2 LYS A 98 -12.268 -12.896 7.167 1.00 75.33 H new ATOM 0 HZ3 LYS A 98 -10.755 -12.282 7.633 1.00 75.33 H new ATOM 1577 N GLU A 99 -5.286 -12.818 6.501 1.00 35.02 N ATOM 1578 CA GLU A 99 -4.283 -12.975 7.547 1.00 4.35 C ATOM 1579 C GLU A 99 -3.678 -11.626 7.928 1.00 43.34 C ATOM 1580 O GLU A 99 -3.142 -11.461 9.023 1.00 33.21 O ATOM 1581 CB GLU A 99 -3.179 -13.930 7.088 1.00 52.54 C ATOM 1582 CG GLU A 99 -2.440 -14.602 8.232 1.00 63.44 C ATOM 1583 CD GLU A 99 -2.912 -16.022 8.476 1.00 33.42 C ATOM 1584 OE1 GLU A 99 -4.086 -16.198 8.865 1.00 20.13 O ATOM 1585 OE2 GLU A 99 -2.110 -16.958 8.278 1.00 23.43 O ATOM 0 H GLU A 99 -5.020 -13.212 5.598 1.00 35.02 H new ATOM 0 HA GLU A 99 -4.774 -13.395 8.425 1.00 4.35 H new ATOM 0 HB2 GLU A 99 -3.617 -14.697 6.449 1.00 52.54 H new ATOM 0 HB3 GLU A 99 -2.463 -13.378 6.479 1.00 52.54 H new ATOM 0 HG2 GLU A 99 -1.372 -14.610 8.015 1.00 63.44 H new ATOM 0 HG3 GLU A 99 -2.576 -14.016 9.141 1.00 63.44 H new ATOM 1592 N ALA A 100 -3.767 -10.665 7.014 1.00 74.22 N ATOM 1593 CA ALA A 100 -3.231 -9.331 7.253 1.00 1.23 C ATOM 1594 C ALA A 100 -4.170 -8.511 8.130 1.00 12.11 C ATOM 1595 O ALA A 100 -3.736 -7.845 9.072 1.00 63.44 O ATOM 1596 CB ALA A 100 -2.982 -8.618 5.932 1.00 11.41 C ATOM 0 H ALA A 100 -4.205 -10.786 6.101 1.00 74.22 H new ATOM 0 HA ALA A 100 -2.283 -9.436 7.781 1.00 1.23 H new ATOM 0 HB1 ALA A 100 -2.582 -7.623 6.125 1.00 11.41 H new ATOM 0 HB2 ALA A 100 -2.266 -9.188 5.340 1.00 11.41 H new ATOM 0 HB3 ALA A 100 -3.920 -8.532 5.383 1.00 11.41 H new ATOM 1602 N LEU A 101 -5.460 -8.562 7.818 1.00 55.15 N ATOM 1603 CA LEU A 101 -6.463 -7.823 8.577 1.00 44.44 C ATOM 1604 C LEU A 101 -6.482 -8.273 10.035 1.00 71.35 C ATOM 1605 O LEU A 101 -6.630 -7.457 10.945 1.00 54.11 O ATOM 1606 CB LEU A 101 -7.846 -8.013 7.953 1.00 15.24 C ATOM 1607 CG LEU A 101 -8.847 -6.879 8.182 1.00 52.20 C ATOM 1608 CD1 LEU A 101 -9.163 -6.737 9.663 1.00 54.43 C ATOM 1609 CD2 LEU A 101 -8.308 -5.571 7.622 1.00 10.41 C ATOM 0 H LEU A 101 -5.837 -9.108 7.043 1.00 55.15 H new ATOM 0 HA LEU A 101 -6.201 -6.765 8.546 1.00 44.44 H new ATOM 0 HB2 LEU A 101 -7.722 -8.150 6.879 1.00 15.24 H new ATOM 0 HB3 LEU A 101 -8.276 -8.935 8.345 1.00 15.24 H new ATOM 0 HG LEU A 101 -9.770 -7.123 7.656 1.00 52.20 H new ATOM 0 HD11 LEU A 101 -9.877 -5.926 9.807 1.00 54.43 H new ATOM 0 HD12 LEU A 101 -9.592 -7.668 10.034 1.00 54.43 H new ATOM 0 HD13 LEU A 101 -8.247 -6.516 10.211 1.00 54.43 H new ATOM 0 HD21 LEU A 101 -9.033 -4.775 7.794 1.00 10.41 H new ATOM 0 HD22 LEU A 101 -7.371 -5.321 8.119 1.00 10.41 H new ATOM 0 HD23 LEU A 101 -8.134 -5.678 6.551 1.00 10.41 H new ATOM 1621 N ASP A 102 -6.331 -9.575 10.247 1.00 23.24 N ATOM 1622 CA ASP A 102 -6.327 -10.134 11.595 1.00 12.51 C ATOM 1623 C ASP A 102 -5.103 -9.665 12.375 1.00 73.33 C ATOM 1624 O ASP A 102 -5.210 -8.843 13.284 1.00 42.42 O ATOM 1625 CB ASP A 102 -6.356 -11.663 11.536 1.00 51.55 C ATOM 1626 CG ASP A 102 -7.667 -12.236 12.039 1.00 51.33 C ATOM 1627 OD1 ASP A 102 -8.666 -12.179 11.290 1.00 4.42 O ATOM 1628 OD2 ASP A 102 -7.693 -12.744 13.179 1.00 51.41 O ATOM 0 H ASP A 102 -6.210 -10.263 9.504 1.00 23.24 H new ATOM 0 HA ASP A 102 -7.220 -9.781 12.111 1.00 12.51 H new ATOM 0 HB2 ASP A 102 -6.191 -11.987 10.509 1.00 51.55 H new ATOM 0 HB3 ASP A 102 -5.535 -12.063 12.132 1.00 51.55 H new ATOM 1633 N LYS A 103 -3.939 -10.196 12.014 1.00 52.23 N ATOM 1634 CA LYS A 103 -2.694 -9.833 12.678 1.00 24.21 C ATOM 1635 C LYS A 103 -2.628 -8.330 12.929 1.00 32.10 C ATOM 1636 O LYS A 103 -2.091 -7.884 13.943 1.00 2.24 O ATOM 1637 CB LYS A 103 -1.494 -10.272 11.834 1.00 34.04 C ATOM 1638 CG LYS A 103 -0.169 -10.192 12.572 1.00 14.01 C ATOM 1639 CD LYS A 103 -0.026 -11.314 13.586 1.00 62.40 C ATOM 1640 CE LYS A 103 -0.362 -10.843 14.992 1.00 41.12 C ATOM 1641 NZ LYS A 103 -0.932 -11.938 15.824 1.00 70.43 N ATOM 0 H LYS A 103 -3.833 -10.880 11.264 1.00 52.23 H new ATOM 0 HA LYS A 103 -2.662 -10.346 13.639 1.00 24.21 H new ATOM 0 HB2 LYS A 103 -1.652 -11.297 11.499 1.00 34.04 H new ATOM 0 HB3 LYS A 103 -1.441 -9.649 10.941 1.00 34.04 H new ATOM 0 HG2 LYS A 103 0.651 -10.241 11.856 1.00 14.01 H new ATOM 0 HG3 LYS A 103 -0.092 -9.230 13.079 1.00 14.01 H new ATOM 0 HD2 LYS A 103 -0.683 -12.139 13.311 1.00 62.40 H new ATOM 0 HD3 LYS A 103 0.994 -11.697 13.564 1.00 62.40 H new ATOM 0 HE2 LYS A 103 0.538 -10.455 15.470 1.00 41.12 H new ATOM 0 HE3 LYS A 103 -1.074 -10.020 14.938 1.00 41.12 H new ATOM 0 HZ1 LYS A 103 -1.147 -11.576 16.775 1.00 70.43 H new ATOM 0 HZ2 LYS A 103 -1.805 -12.291 15.382 1.00 70.43 H new ATOM 0 HZ3 LYS A 103 -0.243 -12.713 15.897 1.00 70.43 H new