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 29 TYR OH : rot 146:sc= -1.35! USER MOD Set 1.2: A 97 THR OG1 : rot 43:sc= 0.222 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.622 K(o=-0.62,f=-1.4) USER MOD Set 3.1: A 57 CYS SG : rot 65:sc= 0.566 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -0.709 K(o=-0.14,f=-4.2!) 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= -0.784 K(o=-0.78,f=-4!) 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= -0.166 K(o=-0.17,f=-4.9!) USER MOD Single : A 38 SER OG : rot 76:sc= 0.359 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.46 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.31) USER MOD Single : A 63 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.272 K(o=-0.27,f=-3.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.033) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.406 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0059 K(o=-0.0059,f=-1.7) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 61:sc= 0.309 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 6.043 5.884 -5.420 1.00 12.31 N ATOM 64 CA ARG A 7 7.053 6.025 -4.379 1.00 34.22 C ATOM 65 C ARG A 7 8.004 4.831 -4.380 1.00 12.01 C ATOM 66 O ARG A 7 9.219 4.991 -4.509 1.00 54.15 O ATOM 67 CB ARG A 7 6.390 6.159 -3.008 1.00 45.24 C ATOM 68 CG ARG A 7 6.797 7.414 -2.253 1.00 13.24 C ATOM 69 CD ARG A 7 7.362 7.080 -0.882 1.00 63.14 C ATOM 70 NE ARG A 7 8.474 6.138 -0.961 1.00 35.31 N ATOM 71 CZ ARG A 7 9.326 5.920 0.035 1.00 11.02 C ATOM 72 NH1 ARG A 7 9.192 6.573 1.180 1.00 52.25 N ATOM 73 NH2 ARG A 7 10.314 5.046 -0.115 1.00 51.02 N ATOM 0 HA ARG A 7 7.628 6.928 -4.586 1.00 34.22 H new ATOM 0 HB2 ARG A 7 5.308 6.158 -3.136 1.00 45.24 H new ATOM 0 HB3 ARG A 7 6.641 5.286 -2.406 1.00 45.24 H new ATOM 0 HG2 ARG A 7 7.541 7.962 -2.831 1.00 13.24 H new ATOM 0 HG3 ARG A 7 5.933 8.069 -2.142 1.00 13.24 H new ATOM 0 HD2 ARG A 7 7.697 7.996 -0.396 1.00 63.14 H new ATOM 0 HD3 ARG A 7 6.574 6.658 -0.258 1.00 63.14 H new ATOM 0 HE ARG A 7 8.604 5.618 -1.829 1.00 35.31 H new ATOM 0 HH11 ARG A 7 8.434 7.245 1.298 1.00 52.25 H new ATOM 0 HH12 ARG A 7 9.847 6.404 1.943 1.00 52.25 H new ATOM 0 HH21 ARG A 7 10.419 4.541 -0.995 1.00 51.02 H new ATOM 0 HH22 ARG A 7 10.968 4.879 0.650 1.00 51.02 H new ATOM 87 N LEU A 8 7.444 3.635 -4.236 1.00 52.24 N ATOM 88 CA LEU A 8 8.242 2.413 -4.219 1.00 13.04 C ATOM 89 C LEU A 8 8.870 2.155 -5.585 1.00 13.24 C ATOM 90 O LEU A 8 8.775 2.984 -6.491 1.00 42.33 O ATOM 91 CB LEU A 8 7.375 1.221 -3.811 1.00 73.31 C ATOM 92 CG LEU A 8 6.546 1.398 -2.539 1.00 52.23 C ATOM 93 CD1 LEU A 8 5.686 0.170 -2.287 1.00 24.22 C ATOM 94 CD2 LEU A 8 7.451 1.672 -1.346 1.00 4.43 C ATOM 0 H LEU A 8 6.441 3.485 -4.129 1.00 52.24 H new ATOM 0 HA LEU A 8 9.042 2.540 -3.489 1.00 13.04 H new ATOM 0 HB2 LEU A 8 6.697 0.992 -4.633 1.00 73.31 H new ATOM 0 HB3 LEU A 8 8.023 0.354 -3.681 1.00 73.31 H new ATOM 0 HG LEU A 8 5.887 2.256 -2.674 1.00 52.23 H new ATOM 0 HD11 LEU A 8 5.103 0.314 -1.377 1.00 24.22 H new ATOM 0 HD12 LEU A 8 5.012 0.019 -3.130 1.00 24.22 H new ATOM 0 HD13 LEU A 8 6.326 -0.705 -2.173 1.00 24.22 H new ATOM 0 HD21 LEU A 8 6.844 1.795 -0.449 1.00 4.43 H new ATOM 0 HD22 LEU A 8 8.135 0.835 -1.209 1.00 4.43 H new ATOM 0 HD23 LEU A 8 8.023 2.582 -1.525 1.00 4.43 H new ATOM 106 N SER A 9 9.512 1.000 -5.727 1.00 52.31 N ATOM 107 CA SER A 9 10.157 0.633 -6.982 1.00 52.13 C ATOM 108 C SER A 9 9.771 -0.783 -7.398 1.00 53.20 C ATOM 109 O SER A 9 9.054 -1.479 -6.681 1.00 33.22 O ATOM 110 CB SER A 9 11.678 0.740 -6.848 1.00 4.45 C ATOM 111 OG SER A 9 12.052 1.971 -6.255 1.00 44.34 O ATOM 0 H SER A 9 9.599 0.302 -4.988 1.00 52.31 H new ATOM 0 HA SER A 9 9.817 1.325 -7.753 1.00 52.13 H new ATOM 0 HB2 SER A 9 12.052 -0.087 -6.244 1.00 4.45 H new ATOM 0 HB3 SER A 9 12.140 0.651 -7.831 1.00 4.45 H new ATOM 0 HG SER A 9 13.028 2.014 -6.179 1.00 44.34 H new ATOM 117 N GLY A 10 10.253 -1.202 -8.565 1.00 63.30 N ATOM 118 CA GLY A 10 9.948 -2.533 -9.058 1.00 44.23 C ATOM 119 C GLY A 10 10.189 -3.607 -8.016 1.00 0.30 C ATOM 120 O GLY A 10 9.380 -4.520 -7.855 1.00 13.42 O ATOM 0 H GLY A 10 10.848 -0.644 -9.177 1.00 63.30 H new ATOM 0 HA2 GLY A 10 8.907 -2.569 -9.378 1.00 44.23 H new ATOM 0 HA3 GLY A 10 10.559 -2.740 -9.937 1.00 44.23 H new ATOM 124 N GLY A 11 11.308 -3.500 -7.306 1.00 51.45 N ATOM 125 CA GLY A 11 11.636 -4.477 -6.284 1.00 25.03 C ATOM 126 C GLY A 11 10.537 -4.625 -5.250 1.00 11.11 C ATOM 127 O GLY A 11 10.000 -5.715 -5.060 1.00 64.04 O ATOM 0 H GLY A 11 11.994 -2.754 -7.420 1.00 51.45 H new ATOM 0 HA2 GLY A 11 11.820 -5.443 -6.755 1.00 25.03 H new ATOM 0 HA3 GLY A 11 12.561 -4.183 -5.788 1.00 25.03 H new ATOM 131 N GLU A 12 10.204 -3.526 -4.580 1.00 31.24 N ATOM 132 CA GLU A 12 9.164 -3.540 -3.559 1.00 23.21 C ATOM 133 C GLU A 12 7.795 -3.811 -4.180 1.00 54.44 C ATOM 134 O GLU A 12 6.892 -4.322 -3.517 1.00 22.12 O ATOM 135 CB GLU A 12 9.140 -2.210 -2.805 1.00 75.01 C ATOM 136 CG GLU A 12 9.089 -2.367 -1.294 1.00 35.24 C ATOM 137 CD GLU A 12 10.414 -2.044 -0.629 1.00 23.42 C ATOM 138 OE1 GLU A 12 10.717 -0.845 -0.460 1.00 44.22 O ATOM 139 OE2 GLU A 12 11.147 -2.992 -0.278 1.00 24.34 O ATOM 0 H GLU A 12 10.640 -2.615 -4.726 1.00 31.24 H new ATOM 0 HA GLU A 12 9.391 -4.343 -2.857 1.00 23.21 H new ATOM 0 HB2 GLU A 12 10.026 -1.635 -3.072 1.00 75.01 H new ATOM 0 HB3 GLU A 12 8.275 -1.633 -3.131 1.00 75.01 H new ATOM 0 HG2 GLU A 12 8.315 -1.714 -0.890 1.00 35.24 H new ATOM 0 HG3 GLU A 12 8.803 -3.390 -1.048 1.00 35.24 H new ATOM 146 N LEU A 13 7.651 -3.463 -5.453 1.00 54.40 N ATOM 147 CA LEU A 13 6.394 -3.666 -6.164 1.00 63.02 C ATOM 148 C LEU A 13 6.073 -5.152 -6.288 1.00 74.21 C ATOM 149 O LEU A 13 4.908 -5.540 -6.382 1.00 32.32 O ATOM 150 CB LEU A 13 6.462 -3.030 -7.553 1.00 43.22 C ATOM 151 CG LEU A 13 5.181 -3.097 -8.386 1.00 55.44 C ATOM 152 CD1 LEU A 13 4.167 -2.079 -7.889 1.00 64.00 C ATOM 153 CD2 LEU A 13 5.490 -2.869 -9.858 1.00 22.53 C ATOM 0 H LEU A 13 8.389 -3.039 -6.015 1.00 54.40 H new ATOM 0 HA LEU A 13 5.600 -3.188 -5.591 1.00 63.02 H new ATOM 0 HB2 LEU A 13 6.742 -1.983 -7.438 1.00 43.22 H new ATOM 0 HB3 LEU A 13 7.262 -3.514 -8.113 1.00 43.22 H new ATOM 0 HG LEU A 13 4.750 -4.092 -8.275 1.00 55.44 H new ATOM 0 HD11 LEU A 13 3.262 -2.142 -8.494 1.00 64.00 H new ATOM 0 HD12 LEU A 13 3.922 -2.288 -6.847 1.00 64.00 H new ATOM 0 HD13 LEU A 13 4.588 -1.077 -7.969 1.00 64.00 H new ATOM 0 HD21 LEU A 13 4.567 -2.920 -10.436 1.00 22.53 H new ATOM 0 HD22 LEU A 13 5.945 -1.887 -9.986 1.00 22.53 H new ATOM 0 HD23 LEU A 13 6.180 -3.637 -10.208 1.00 22.53 H new ATOM 165 N ASP A 14 7.113 -5.978 -6.285 1.00 34.20 N ATOM 166 CA ASP A 14 6.943 -7.423 -6.395 1.00 44.42 C ATOM 167 C ASP A 14 6.137 -7.965 -5.218 1.00 4.00 C ATOM 168 O ASP A 14 5.241 -8.792 -5.393 1.00 52.05 O ATOM 169 CB ASP A 14 8.304 -8.116 -6.458 1.00 14.02 C ATOM 170 CG ASP A 14 8.315 -9.283 -7.425 1.00 61.54 C ATOM 171 OD1 ASP A 14 8.110 -9.053 -8.635 1.00 12.03 O ATOM 172 OD2 ASP A 14 8.527 -10.427 -6.971 1.00 34.14 O ATOM 0 H ASP A 14 8.083 -5.672 -6.208 1.00 34.20 H new ATOM 0 HA ASP A 14 6.396 -7.631 -7.315 1.00 44.42 H new ATOM 0 HB2 ASP A 14 9.063 -7.393 -6.757 1.00 14.02 H new ATOM 0 HB3 ASP A 14 8.575 -8.470 -5.463 1.00 14.02 H new ATOM 177 N LYS A 15 6.461 -7.494 -4.019 1.00 63.35 N ATOM 178 CA LYS A 15 5.769 -7.931 -2.811 1.00 25.15 C ATOM 179 C LYS A 15 4.367 -7.334 -2.743 1.00 22.43 C ATOM 180 O LYS A 15 3.404 -8.024 -2.406 1.00 62.11 O ATOM 181 CB LYS A 15 6.566 -7.531 -1.569 1.00 43.53 C ATOM 182 CG LYS A 15 7.197 -8.709 -0.846 1.00 51.52 C ATOM 183 CD LYS A 15 8.380 -8.272 0.003 1.00 21.23 C ATOM 184 CE LYS A 15 9.688 -8.382 -0.765 1.00 54.40 C ATOM 185 NZ LYS A 15 10.386 -9.668 -0.490 1.00 32.24 N ATOM 0 H LYS A 15 7.199 -6.809 -3.857 1.00 63.35 H new ATOM 0 HA LYS A 15 5.682 -9.017 -2.844 1.00 25.15 H new ATOM 0 HB2 LYS A 15 7.350 -6.832 -1.860 1.00 43.53 H new ATOM 0 HB3 LYS A 15 5.908 -7.003 -0.880 1.00 43.53 H new ATOM 0 HG2 LYS A 15 6.452 -9.191 -0.213 1.00 51.52 H new ATOM 0 HG3 LYS A 15 7.525 -9.451 -1.574 1.00 51.52 H new ATOM 0 HD2 LYS A 15 8.234 -7.242 0.330 1.00 21.23 H new ATOM 0 HD3 LYS A 15 8.431 -8.887 0.901 1.00 21.23 H new ATOM 0 HE2 LYS A 15 9.490 -8.298 -1.834 1.00 54.40 H new ATOM 0 HE3 LYS A 15 10.339 -7.550 -0.495 1.00 54.40 H new ATOM 0 HZ1 LYS A 15 11.273 -9.704 -1.032 1.00 32.24 H new ATOM 0 HZ2 LYS A 15 10.598 -9.738 0.526 1.00 32.24 H new ATOM 0 HZ3 LYS A 15 9.775 -10.461 -0.771 1.00 32.24 H new ATOM 199 N TRP A 16 4.258 -6.051 -3.067 1.00 21.44 N ATOM 200 CA TRP A 16 2.972 -5.363 -3.044 1.00 54.23 C ATOM 201 C TRP A 16 1.952 -6.086 -3.916 1.00 55.40 C ATOM 202 O TRP A 16 0.791 -6.233 -3.534 1.00 12.32 O ATOM 203 CB TRP A 16 3.135 -3.918 -3.518 1.00 33.21 C ATOM 204 CG TRP A 16 1.839 -3.171 -3.604 1.00 31.13 C ATOM 205 CD1 TRP A 16 1.300 -2.590 -4.717 1.00 63.44 C ATOM 206 CD2 TRP A 16 0.921 -2.923 -2.534 1.00 1.25 C ATOM 207 NE1 TRP A 16 0.101 -1.996 -4.403 1.00 73.14 N ATOM 208 CE2 TRP A 16 -0.154 -2.187 -3.070 1.00 25.31 C ATOM 209 CE3 TRP A 16 0.900 -3.252 -1.177 1.00 61.12 C ATOM 210 CZ2 TRP A 16 -1.235 -1.776 -2.294 1.00 2.30 C ATOM 211 CZ3 TRP A 16 -0.173 -2.844 -0.408 1.00 13.42 C ATOM 212 CH2 TRP A 16 -1.228 -2.112 -0.968 1.00 22.04 C ATOM 0 H TRP A 16 5.044 -5.466 -3.349 1.00 21.44 H new ATOM 0 HA TRP A 16 2.607 -5.362 -2.017 1.00 54.23 H new ATOM 0 HB2 TRP A 16 3.804 -3.393 -2.836 1.00 33.21 H new ATOM 0 HB3 TRP A 16 3.613 -3.916 -4.498 1.00 33.21 H new ATOM 0 HD1 TRP A 16 1.750 -2.597 -5.699 1.00 63.44 H new ATOM 0 HE1 TRP A 16 -0.501 -1.495 -5.056 1.00 73.14 H new ATOM 0 HE3 TRP A 16 1.709 -3.816 -0.736 1.00 61.12 H new ATOM 0 HZ2 TRP A 16 -2.050 -1.212 -2.724 1.00 2.30 H new ATOM 0 HZ3 TRP A 16 -0.199 -3.094 0.642 1.00 13.42 H new ATOM 0 HH2 TRP A 16 -2.052 -1.807 -0.340 1.00 22.04 H new ATOM 223 N GLU A 17 2.393 -6.534 -5.087 1.00 22.23 N ATOM 224 CA GLU A 17 1.516 -7.241 -6.013 1.00 63.13 C ATOM 225 C GLU A 17 1.459 -8.730 -5.678 1.00 4.44 C ATOM 226 O GLU A 17 0.618 -9.463 -6.200 1.00 14.10 O ATOM 227 CB GLU A 17 1.995 -7.048 -7.452 1.00 11.13 C ATOM 228 CG GLU A 17 1.801 -5.634 -7.975 1.00 41.14 C ATOM 229 CD GLU A 17 1.645 -5.585 -9.482 1.00 62.32 C ATOM 230 OE1 GLU A 17 0.520 -5.817 -9.970 1.00 22.14 O ATOM 231 OE2 GLU A 17 2.649 -5.314 -10.173 1.00 73.12 O ATOM 0 H GLU A 17 3.351 -6.420 -5.417 1.00 22.23 H new ATOM 0 HA GLU A 17 0.513 -6.825 -5.914 1.00 63.13 H new ATOM 0 HB2 GLU A 17 3.052 -7.306 -7.512 1.00 11.13 H new ATOM 0 HB3 GLU A 17 1.460 -7.742 -8.100 1.00 11.13 H new ATOM 0 HG2 GLU A 17 0.919 -5.196 -7.508 1.00 41.14 H new ATOM 0 HG3 GLU A 17 2.654 -5.022 -7.682 1.00 41.14 H new ATOM 238 N LYS A 18 2.359 -9.169 -4.807 1.00 73.22 N ATOM 239 CA LYS A 18 2.414 -10.569 -4.401 1.00 4.31 C ATOM 240 C LYS A 18 1.293 -10.894 -3.418 1.00 14.45 C ATOM 241 O LYS A 18 0.896 -12.051 -3.277 1.00 51.22 O ATOM 242 CB LYS A 18 3.770 -10.886 -3.768 1.00 11.23 C ATOM 243 CG LYS A 18 3.853 -12.282 -3.175 1.00 4.44 C ATOM 244 CD LYS A 18 5.219 -12.906 -3.407 1.00 61.10 C ATOM 245 CE LYS A 18 5.300 -14.303 -2.814 1.00 74.31 C ATOM 246 NZ LYS A 18 5.322 -15.354 -3.869 1.00 34.41 N ATOM 0 H LYS A 18 3.062 -8.575 -4.367 1.00 73.22 H new ATOM 0 HA LYS A 18 2.284 -11.185 -5.291 1.00 4.31 H new ATOM 0 HB2 LYS A 18 4.549 -10.774 -4.522 1.00 11.23 H new ATOM 0 HB3 LYS A 18 3.976 -10.155 -2.986 1.00 11.23 H new ATOM 0 HG2 LYS A 18 3.650 -12.236 -2.105 1.00 4.44 H new ATOM 0 HG3 LYS A 18 3.083 -12.913 -3.619 1.00 4.44 H new ATOM 0 HD2 LYS A 18 5.423 -12.951 -4.477 1.00 61.10 H new ATOM 0 HD3 LYS A 18 5.989 -12.275 -2.962 1.00 61.10 H new ATOM 0 HE2 LYS A 18 6.197 -14.386 -2.201 1.00 74.31 H new ATOM 0 HE3 LYS A 18 4.447 -14.468 -2.155 1.00 74.31 H new ATOM 0 HZ1 LYS A 18 5.378 -16.292 -3.423 1.00 34.41 H new ATOM 0 HZ2 LYS A 18 4.454 -15.292 -4.439 1.00 34.41 H new ATOM 0 HZ3 LYS A 18 6.150 -15.213 -4.483 1.00 34.41 H new ATOM 260 N ILE A 19 0.787 -9.867 -2.744 1.00 74.15 N ATOM 261 CA ILE A 19 -0.288 -10.044 -1.776 1.00 22.24 C ATOM 262 C ILE A 19 -1.644 -10.129 -2.471 1.00 73.02 C ATOM 263 O ILE A 19 -1.970 -9.298 -3.320 1.00 43.02 O ATOM 264 CB ILE A 19 -0.319 -8.895 -0.752 1.00 64.23 C ATOM 265 CG1 ILE A 19 1.021 -8.798 -0.020 1.00 33.40 C ATOM 266 CG2 ILE A 19 -1.456 -9.100 0.239 1.00 10.42 C ATOM 267 CD1 ILE A 19 1.619 -7.409 -0.035 1.00 23.12 C ATOM 0 H ILE A 19 1.104 -8.903 -2.851 1.00 74.15 H new ATOM 0 HA ILE A 19 -0.091 -10.980 -1.253 1.00 22.24 H new ATOM 0 HB ILE A 19 -0.490 -7.959 -1.284 1.00 64.23 H new ATOM 0 HG12 ILE A 19 0.885 -9.115 1.014 1.00 33.40 H new ATOM 0 HG13 ILE A 19 1.726 -9.493 -0.476 1.00 33.40 H new ATOM 0 HG21 ILE A 19 -1.465 -8.280 0.957 1.00 10.42 H new ATOM 0 HG22 ILE A 19 -2.405 -9.125 -0.296 1.00 10.42 H new ATOM 0 HG23 ILE A 19 -1.313 -10.043 0.767 1.00 10.42 H new ATOM 0 HD11 ILE A 19 2.567 -7.415 0.502 1.00 23.12 H new ATOM 0 HD12 ILE A 19 1.788 -7.097 -1.066 1.00 23.12 H new ATOM 0 HD13 ILE A 19 0.933 -6.712 0.448 1.00 23.12 H new ATOM 279 N ARG A 20 -2.429 -11.135 -2.104 1.00 71.21 N ATOM 280 CA ARG A 20 -3.749 -11.328 -2.690 1.00 30.12 C ATOM 281 C ARG A 20 -4.813 -10.576 -1.896 1.00 42.14 C ATOM 282 O ARG A 20 -4.680 -10.385 -0.685 1.00 30.34 O ATOM 283 CB ARG A 20 -4.095 -12.817 -2.745 1.00 62.15 C ATOM 284 CG ARG A 20 -3.367 -13.572 -3.844 1.00 60.03 C ATOM 285 CD ARG A 20 -3.220 -15.047 -3.504 1.00 22.35 C ATOM 286 NE ARG A 20 -3.445 -15.902 -4.667 1.00 42.30 N ATOM 287 CZ ARG A 20 -2.616 -15.966 -5.703 1.00 3.24 C ATOM 288 NH1 ARG A 20 -1.515 -15.229 -5.721 1.00 53.42 N ATOM 289 NH2 ARG A 20 -2.890 -16.768 -6.724 1.00 63.11 N ATOM 0 H ARG A 20 -2.174 -11.830 -1.403 1.00 71.21 H new ATOM 0 HA ARG A 20 -3.729 -10.930 -3.704 1.00 30.12 H new ATOM 0 HB2 ARG A 20 -3.856 -13.272 -1.784 1.00 62.15 H new ATOM 0 HB3 ARG A 20 -5.170 -12.926 -2.891 1.00 62.15 H new ATOM 0 HG2 ARG A 20 -3.912 -13.466 -4.782 1.00 60.03 H new ATOM 0 HG3 ARG A 20 -2.381 -13.133 -3.997 1.00 60.03 H new ATOM 0 HD2 ARG A 20 -2.221 -15.230 -3.108 1.00 22.35 H new ATOM 0 HD3 ARG A 20 -3.928 -15.310 -2.718 1.00 22.35 H new ATOM 0 HE ARG A 20 -4.284 -16.481 -4.684 1.00 42.30 H new ATOM 0 HH11 ARG A 20 -1.302 -14.611 -4.938 1.00 53.42 H new ATOM 0 HH12 ARG A 20 -0.880 -15.280 -6.518 1.00 53.42 H new ATOM 0 HH21 ARG A 20 -3.737 -17.336 -6.714 1.00 63.11 H new ATOM 0 HH22 ARG A 20 -2.253 -16.817 -7.519 1.00 63.11 H new ATOM 303 N LEU A 21 -5.867 -10.151 -2.582 1.00 45.43 N ATOM 304 CA LEU A 21 -6.954 -9.418 -1.941 1.00 61.22 C ATOM 305 C LEU A 21 -7.845 -10.360 -1.138 1.00 73.12 C ATOM 306 O LEU A 21 -8.225 -10.058 -0.006 1.00 24.15 O ATOM 307 CB LEU A 21 -7.787 -8.680 -2.990 1.00 60.21 C ATOM 308 CG LEU A 21 -7.078 -7.550 -3.737 1.00 32.21 C ATOM 309 CD1 LEU A 21 -7.935 -7.052 -4.890 1.00 53.25 C ATOM 310 CD2 LEU A 21 -6.743 -6.410 -2.787 1.00 52.03 C ATOM 0 H LEU A 21 -5.993 -10.301 -3.583 1.00 45.43 H new ATOM 0 HA LEU A 21 -6.516 -8.691 -1.258 1.00 61.22 H new ATOM 0 HB2 LEU A 21 -8.140 -9.407 -3.722 1.00 60.21 H new ATOM 0 HB3 LEU A 21 -8.669 -8.267 -2.500 1.00 60.21 H new ATOM 0 HG LEU A 21 -6.146 -7.940 -4.147 1.00 32.21 H new ATOM 0 HD11 LEU A 21 -7.414 -6.248 -5.410 1.00 53.25 H new ATOM 0 HD12 LEU A 21 -8.123 -7.871 -5.584 1.00 53.25 H new ATOM 0 HD13 LEU A 21 -8.884 -6.679 -4.504 1.00 53.25 H new ATOM 0 HD21 LEU A 21 -6.239 -5.615 -3.336 1.00 52.03 H new ATOM 0 HD22 LEU A 21 -7.661 -6.021 -2.347 1.00 52.03 H new ATOM 0 HD23 LEU A 21 -6.088 -6.776 -1.996 1.00 52.03 H new ATOM 322 N ARG A 22 -8.173 -11.505 -1.729 1.00 14.32 N ATOM 323 CA ARG A 22 -9.018 -12.491 -1.068 1.00 23.34 C ATOM 324 C ARG A 22 -8.203 -13.709 -0.644 1.00 75.14 C ATOM 325 O ARG A 22 -7.121 -13.976 -1.167 1.00 21.13 O ATOM 326 CB ARG A 22 -10.154 -12.924 -1.997 1.00 22.53 C ATOM 327 CG ARG A 22 -11.334 -11.966 -2.003 1.00 24.25 C ATOM 328 CD ARG A 22 -12.115 -12.036 -0.701 1.00 52.12 C ATOM 329 NE ARG A 22 -12.973 -10.868 -0.514 1.00 43.14 N ATOM 330 CZ ARG A 22 -14.117 -10.686 -1.164 1.00 62.14 C ATOM 331 NH1 ARG A 22 -14.539 -11.591 -2.037 1.00 41.03 N ATOM 332 NH2 ARG A 22 -14.843 -9.598 -0.940 1.00 71.54 N ATOM 0 H ARG A 22 -7.866 -11.772 -2.664 1.00 14.32 H new ATOM 0 HA ARG A 22 -9.442 -12.030 -0.176 1.00 23.34 H new ATOM 0 HB2 ARG A 22 -9.767 -13.017 -3.012 1.00 22.53 H new ATOM 0 HB3 ARG A 22 -10.501 -13.913 -1.697 1.00 22.53 H new ATOM 0 HG2 ARG A 22 -10.977 -10.948 -2.160 1.00 24.25 H new ATOM 0 HG3 ARG A 22 -11.994 -12.205 -2.837 1.00 24.25 H new ATOM 0 HD2 ARG A 22 -12.725 -12.939 -0.692 1.00 52.12 H new ATOM 0 HD3 ARG A 22 -11.420 -12.113 0.135 1.00 52.12 H new ATOM 0 HE ARG A 22 -12.677 -10.154 0.152 1.00 43.14 H new ATOM 0 HH11 ARG A 22 -13.985 -12.429 -2.211 1.00 41.03 H new ATOM 0 HH12 ARG A 22 -15.418 -11.449 -2.535 1.00 41.03 H new ATOM 0 HH21 ARG A 22 -14.523 -8.901 -0.268 1.00 71.54 H new ATOM 0 HH22 ARG A 22 -15.721 -9.459 -1.440 1.00 71.54 H new ATOM 346 N PRO A 23 -8.732 -14.465 0.330 1.00 75.12 N ATOM 347 CA PRO A 23 -8.069 -15.667 0.847 1.00 50.40 C ATOM 348 C PRO A 23 -8.059 -16.805 -0.167 1.00 21.43 C ATOM 349 O PRO A 23 -7.045 -17.476 -0.352 1.00 11.33 O ATOM 350 CB PRO A 23 -8.917 -16.043 2.064 1.00 65.21 C ATOM 351 CG PRO A 23 -10.262 -15.468 1.782 1.00 11.52 C ATOM 352 CD PRO A 23 -10.017 -14.207 1.000 1.00 2.04 C ATOM 0 HA PRO A 23 -7.020 -15.486 1.080 1.00 50.40 H new ATOM 0 HB2 PRO A 23 -8.968 -17.124 2.192 1.00 65.21 H new ATOM 0 HB3 PRO A 23 -8.496 -15.633 2.982 1.00 65.21 H new ATOM 0 HG2 PRO A 23 -10.874 -16.168 1.213 1.00 11.52 H new ATOM 0 HG3 PRO A 23 -10.798 -15.256 2.707 1.00 11.52 H new ATOM 0 HD2 PRO A 23 -10.814 -14.019 0.281 1.00 2.04 H new ATOM 0 HD3 PRO A 23 -9.963 -13.335 1.651 1.00 2.04 H new ATOM 360 N GLY A 24 -9.196 -17.018 -0.823 1.00 4.04 N ATOM 361 CA GLY A 24 -9.295 -18.076 -1.811 1.00 5.34 C ATOM 362 C GLY A 24 -9.516 -17.542 -3.213 1.00 20.31 C ATOM 363 O GLY A 24 -10.211 -18.160 -4.018 1.00 55.20 O ATOM 0 H GLY A 24 -10.050 -16.477 -0.688 1.00 4.04 H new ATOM 0 HA2 GLY A 24 -8.383 -18.673 -1.792 1.00 5.34 H new ATOM 0 HA3 GLY A 24 -10.117 -18.741 -1.545 1.00 5.34 H new ATOM 367 N GLY A 25 -8.924 -16.388 -3.505 1.00 55.20 N ATOM 368 CA GLY A 25 -9.072 -15.789 -4.819 1.00 61.14 C ATOM 369 C GLY A 25 -7.755 -15.690 -5.563 1.00 1.30 C ATOM 370 O GLY A 25 -6.757 -16.287 -5.158 1.00 64.04 O ATOM 0 H GLY A 25 -8.344 -15.857 -2.855 1.00 55.20 H new ATOM 0 HA2 GLY A 25 -9.774 -16.380 -5.407 1.00 61.14 H new ATOM 0 HA3 GLY A 25 -9.502 -14.793 -4.714 1.00 61.14 H new ATOM 374 N LYS A 26 -7.751 -14.935 -6.656 1.00 50.20 N ATOM 375 CA LYS A 26 -6.548 -14.759 -7.460 1.00 71.40 C ATOM 376 C LYS A 26 -6.235 -13.279 -7.655 1.00 35.43 C ATOM 377 O LYS A 26 -5.298 -12.921 -8.369 1.00 14.12 O ATOM 378 CB LYS A 26 -6.714 -15.440 -8.821 1.00 64.13 C ATOM 379 CG LYS A 26 -5.399 -15.821 -9.476 1.00 12.11 C ATOM 380 CD LYS A 26 -5.527 -15.883 -10.989 1.00 71.03 C ATOM 381 CE LYS A 26 -5.408 -14.503 -11.616 1.00 24.35 C ATOM 382 NZ LYS A 26 -6.502 -14.242 -12.592 1.00 1.44 N ATOM 0 H LYS A 26 -8.568 -14.435 -7.006 1.00 50.20 H new ATOM 0 HA LYS A 26 -5.716 -15.221 -6.929 1.00 71.40 H new ATOM 0 HB2 LYS A 26 -7.321 -16.337 -8.697 1.00 64.13 H new ATOM 0 HB3 LYS A 26 -7.262 -14.773 -9.487 1.00 64.13 H new ATOM 0 HG2 LYS A 26 -4.632 -15.095 -9.204 1.00 12.11 H new ATOM 0 HG3 LYS A 26 -5.070 -16.789 -9.098 1.00 12.11 H new ATOM 0 HD2 LYS A 26 -4.754 -16.536 -11.394 1.00 71.03 H new ATOM 0 HD3 LYS A 26 -6.488 -16.323 -11.256 1.00 71.03 H new ATOM 0 HE2 LYS A 26 -5.431 -13.745 -10.833 1.00 24.35 H new ATOM 0 HE3 LYS A 26 -4.444 -14.414 -12.118 1.00 24.35 H new ATOM 0 HZ1 LYS A 26 -6.386 -13.291 -12.998 1.00 1.44 H new ATOM 0 HZ2 LYS A 26 -6.465 -14.950 -13.353 1.00 1.44 H new ATOM 0 HZ3 LYS A 26 -7.421 -14.302 -12.108 1.00 1.44 H new ATOM 396 N LYS A 27 -7.024 -12.423 -7.016 1.00 4.43 N ATOM 397 CA LYS A 27 -6.831 -10.981 -7.116 1.00 33.13 C ATOM 398 C LYS A 27 -5.735 -10.513 -6.166 1.00 53.54 C ATOM 399 O LYS A 27 -5.490 -11.133 -5.131 1.00 41.03 O ATOM 400 CB LYS A 27 -8.138 -10.248 -6.807 1.00 60.13 C ATOM 401 CG LYS A 27 -9.330 -10.777 -7.583 1.00 25.33 C ATOM 402 CD LYS A 27 -10.250 -11.603 -6.699 1.00 12.25 C ATOM 403 CE LYS A 27 -11.622 -11.777 -7.331 1.00 64.32 C ATOM 404 NZ LYS A 27 -11.635 -12.877 -8.335 1.00 2.05 N ATOM 0 H LYS A 27 -7.805 -12.703 -6.422 1.00 4.43 H new ATOM 0 HA LYS A 27 -6.526 -10.750 -8.136 1.00 33.13 H new ATOM 0 HB2 LYS A 27 -8.346 -10.327 -5.740 1.00 60.13 H new ATOM 0 HB3 LYS A 27 -8.012 -9.188 -7.029 1.00 60.13 H new ATOM 0 HG2 LYS A 27 -9.887 -9.943 -8.010 1.00 25.33 H new ATOM 0 HG3 LYS A 27 -8.981 -11.387 -8.416 1.00 25.33 H new ATOM 0 HD2 LYS A 27 -9.804 -12.581 -6.521 1.00 12.25 H new ATOM 0 HD3 LYS A 27 -10.354 -11.119 -5.728 1.00 12.25 H new ATOM 0 HE2 LYS A 27 -12.356 -11.987 -6.553 1.00 64.32 H new ATOM 0 HE3 LYS A 27 -11.922 -10.845 -7.810 1.00 64.32 H new ATOM 0 HZ1 LYS A 27 -12.588 -12.964 -8.743 1.00 2.05 H new ATOM 0 HZ2 LYS A 27 -10.953 -12.665 -9.091 1.00 2.05 H new ATOM 0 HZ3 LYS A 27 -11.373 -13.771 -7.873 1.00 2.05 H new ATOM 418 N GLN A 28 -5.079 -9.412 -6.522 1.00 60.44 N ATOM 419 CA GLN A 28 -4.009 -8.860 -5.699 1.00 62.24 C ATOM 420 C GLN A 28 -4.084 -7.338 -5.658 1.00 11.30 C ATOM 421 O GLN A 28 -5.039 -6.740 -6.153 1.00 24.13 O ATOM 422 CB GLN A 28 -2.645 -9.302 -6.233 1.00 25.03 C ATOM 423 CG GLN A 28 -2.485 -10.811 -6.320 1.00 22.14 C ATOM 424 CD GLN A 28 -2.884 -11.363 -7.674 1.00 15.20 C ATOM 425 OE1 GLN A 28 -3.591 -10.709 -8.441 1.00 54.54 O ATOM 426 NE2 GLN A 28 -2.430 -12.574 -7.976 1.00 14.25 N ATOM 0 H GLN A 28 -5.270 -8.885 -7.374 1.00 60.44 H new ATOM 0 HA GLN A 28 -4.133 -9.239 -4.685 1.00 62.24 H new ATOM 0 HB2 GLN A 28 -2.495 -8.872 -7.223 1.00 25.03 H new ATOM 0 HB3 GLN A 28 -1.864 -8.899 -5.588 1.00 25.03 H new ATOM 0 HG2 GLN A 28 -1.447 -11.075 -6.116 1.00 22.14 H new ATOM 0 HG3 GLN A 28 -3.092 -11.282 -5.547 1.00 22.14 H new ATOM 0 HE21 GLN A 28 -1.847 -13.081 -7.310 1.00 14.25 H new ATOM 0 HE22 GLN A 28 -2.665 -12.997 -8.874 1.00 14.25 H new ATOM 435 N TYR A 29 -3.071 -6.716 -5.065 1.00 73.30 N ATOM 436 CA TYR A 29 -3.023 -5.263 -4.957 1.00 1.24 C ATOM 437 C TYR A 29 -2.238 -4.656 -6.115 1.00 73.04 C ATOM 438 O TYR A 29 -1.376 -5.308 -6.706 1.00 20.11 O ATOM 439 CB TYR A 29 -2.393 -4.850 -3.626 1.00 41.24 C ATOM 440 CG TYR A 29 -3.316 -5.019 -2.441 1.00 65.13 C ATOM 441 CD1 TYR A 29 -4.282 -4.064 -2.146 1.00 22.43 C ATOM 442 CD2 TYR A 29 -3.222 -6.132 -1.614 1.00 52.40 C ATOM 443 CE1 TYR A 29 -5.127 -4.215 -1.064 1.00 45.33 C ATOM 444 CE2 TYR A 29 -4.063 -6.291 -0.531 1.00 44.35 C ATOM 445 CZ TYR A 29 -5.015 -5.329 -0.259 1.00 34.23 C ATOM 446 OH TYR A 29 -5.854 -5.483 0.820 1.00 11.52 O ATOM 0 H TYR A 29 -2.272 -7.196 -4.652 1.00 73.30 H new ATOM 0 HA TYR A 29 -4.045 -4.887 -4.999 1.00 1.24 H new ATOM 0 HB2 TYR A 29 -1.492 -5.441 -3.461 1.00 41.24 H new ATOM 0 HB3 TYR A 29 -2.083 -3.807 -3.689 1.00 41.24 H new ATOM 0 HD1 TYR A 29 -4.373 -3.190 -2.773 1.00 22.43 H new ATOM 0 HD2 TYR A 29 -2.478 -6.886 -1.822 1.00 52.40 H new ATOM 0 HE1 TYR A 29 -5.872 -3.464 -0.849 1.00 45.33 H new ATOM 0 HE2 TYR A 29 -3.977 -7.163 0.100 1.00 44.35 H new ATOM 0 HH TYR A 29 -6.052 -6.434 0.947 1.00 11.52 H new ATOM 456 N LYS A 30 -2.539 -3.403 -6.434 1.00 40.43 N ATOM 457 CA LYS A 30 -1.862 -2.704 -7.519 1.00 12.21 C ATOM 458 C LYS A 30 -1.735 -1.215 -7.213 1.00 71.22 C ATOM 459 O LYS A 30 -2.228 -0.736 -6.190 1.00 74.40 O ATOM 460 CB LYS A 30 -2.621 -2.901 -8.833 1.00 31.43 C ATOM 461 CG LYS A 30 -1.818 -3.634 -9.895 1.00 4.12 C ATOM 462 CD LYS A 30 -2.590 -3.747 -11.199 1.00 43.14 C ATOM 463 CE LYS A 30 -1.660 -3.717 -12.402 1.00 25.41 C ATOM 464 NZ LYS A 30 -2.405 -3.501 -13.673 1.00 73.12 N ATOM 0 H LYS A 30 -3.249 -2.849 -5.955 1.00 40.43 H new ATOM 0 HA LYS A 30 -0.861 -3.124 -7.618 1.00 12.21 H new ATOM 0 HB2 LYS A 30 -3.537 -3.457 -8.634 1.00 31.43 H new ATOM 0 HB3 LYS A 30 -2.917 -1.927 -9.221 1.00 31.43 H new ATOM 0 HG2 LYS A 30 -0.880 -3.108 -10.071 1.00 4.12 H new ATOM 0 HG3 LYS A 30 -1.562 -4.631 -9.535 1.00 4.12 H new ATOM 0 HD2 LYS A 30 -3.164 -4.674 -11.204 1.00 43.14 H new ATOM 0 HD3 LYS A 30 -3.306 -2.929 -11.271 1.00 43.14 H new ATOM 0 HE2 LYS A 30 -0.924 -2.923 -12.273 1.00 25.41 H new ATOM 0 HE3 LYS A 30 -1.109 -4.656 -12.459 1.00 25.41 H new ATOM 0 HZ1 LYS A 30 -1.736 -3.487 -14.469 1.00 73.12 H new ATOM 0 HZ2 LYS A 30 -3.090 -4.272 -13.809 1.00 73.12 H new ATOM 0 HZ3 LYS A 30 -2.910 -2.593 -13.629 1.00 73.12 H new ATOM 478 N LEU A 31 -1.072 -0.487 -8.104 1.00 10.24 N ATOM 479 CA LEU A 31 -0.881 0.949 -7.929 1.00 0.43 C ATOM 480 C LEU A 31 -2.218 1.655 -7.730 1.00 3.21 C ATOM 481 O LEU A 31 -2.299 2.672 -7.040 1.00 43.25 O ATOM 482 CB LEU A 31 -0.156 1.539 -9.140 1.00 15.05 C ATOM 483 CG LEU A 31 1.296 1.960 -8.913 1.00 74.33 C ATOM 484 CD1 LEU A 31 2.218 0.751 -8.973 1.00 12.02 C ATOM 485 CD2 LEU A 31 1.716 3.004 -9.938 1.00 61.43 C ATOM 0 H LEU A 31 -0.657 -0.867 -8.955 1.00 10.24 H new ATOM 0 HA LEU A 31 -0.272 1.104 -7.038 1.00 0.43 H new ATOM 0 HB2 LEU A 31 -0.179 0.805 -9.945 1.00 15.05 H new ATOM 0 HB3 LEU A 31 -0.716 2.408 -9.485 1.00 15.05 H new ATOM 0 HG LEU A 31 1.374 2.403 -7.920 1.00 74.33 H new ATOM 0 HD11 LEU A 31 3.247 1.070 -8.809 1.00 12.02 H new ATOM 0 HD12 LEU A 31 1.932 0.037 -8.201 1.00 12.02 H new ATOM 0 HD13 LEU A 31 2.136 0.279 -9.952 1.00 12.02 H new ATOM 0 HD21 LEU A 31 2.752 3.292 -9.761 1.00 61.43 H new ATOM 0 HD22 LEU A 31 1.621 2.588 -10.941 1.00 61.43 H new ATOM 0 HD23 LEU A 31 1.075 3.881 -9.847 1.00 61.43 H new ATOM 497 N LYS A 32 -3.266 1.110 -8.337 1.00 23.25 N ATOM 498 CA LYS A 32 -4.602 1.685 -8.226 1.00 53.05 C ATOM 499 C LYS A 32 -4.943 1.985 -6.770 1.00 3.51 C ATOM 500 O LYS A 32 -5.398 3.083 -6.442 1.00 63.40 O ATOM 501 CB LYS A 32 -5.641 0.730 -8.818 1.00 45.41 C ATOM 502 CG LYS A 32 -6.166 1.168 -10.174 1.00 43.31 C ATOM 503 CD LYS A 32 -6.149 0.024 -11.174 1.00 23.11 C ATOM 504 CE LYS A 32 -7.383 0.045 -12.064 1.00 72.42 C ATOM 505 NZ LYS A 32 -7.029 -0.081 -13.505 1.00 54.21 N ATOM 0 H LYS A 32 -3.216 0.269 -8.912 1.00 23.25 H new ATOM 0 HA LYS A 32 -4.617 2.620 -8.786 1.00 53.05 H new ATOM 0 HB2 LYS A 32 -5.199 -0.262 -8.912 1.00 45.41 H new ATOM 0 HB3 LYS A 32 -6.478 0.642 -8.125 1.00 45.41 H new ATOM 0 HG2 LYS A 32 -7.183 1.544 -10.067 1.00 43.31 H new ATOM 0 HG3 LYS A 32 -5.560 1.991 -10.551 1.00 43.31 H new ATOM 0 HD2 LYS A 32 -5.253 0.091 -11.791 1.00 23.11 H new ATOM 0 HD3 LYS A 32 -6.099 -0.926 -10.642 1.00 23.11 H new ATOM 0 HE2 LYS A 32 -8.049 -0.770 -11.781 1.00 72.42 H new ATOM 0 HE3 LYS A 32 -7.930 0.974 -11.904 1.00 72.42 H new ATOM 0 HZ1 LYS A 32 -7.896 -0.063 -14.078 1.00 54.21 H new ATOM 0 HZ2 LYS A 32 -6.414 0.711 -13.782 1.00 54.21 H new ATOM 0 HZ3 LYS A 32 -6.529 -0.979 -13.662 1.00 54.21 H new ATOM 519 N HIS A 33 -4.719 1.007 -5.899 1.00 23.44 N ATOM 520 CA HIS A 33 -5.002 1.167 -4.477 1.00 41.44 C ATOM 521 C HIS A 33 -4.037 2.163 -3.842 1.00 55.34 C ATOM 522 O HIS A 33 -4.508 2.988 -3.058 1.00 41.01 O ATOM 523 CB HIS A 33 -4.908 -0.179 -3.760 1.00 71.55 C ATOM 524 CG HIS A 33 -5.627 -1.287 -4.469 1.00 53.32 C ATOM 525 ND1 HIS A 33 -4.978 -2.365 -5.033 1.00 2.21 N ATOM 526 CD2 HIS A 33 -6.946 -1.479 -4.702 1.00 50.33 C ATOM 527 CE1 HIS A 33 -5.868 -3.171 -5.583 1.00 1.15 C ATOM 528 NE2 HIS A 33 -7.070 -2.656 -5.396 1.00 22.10 N ATOM 0 H HIS A 33 -4.342 0.094 -6.153 1.00 23.44 H new ATOM 0 HA HIS A 33 -6.016 1.553 -4.375 1.00 41.44 H new ATOM 0 HB2 HIS A 33 -3.858 -0.450 -3.650 1.00 71.55 H new ATOM 0 HB3 HIS A 33 -5.318 -0.076 -2.755 1.00 71.55 H new ATOM 0 HD2 HIS A 33 -7.751 -0.827 -4.398 1.00 50.33 H new ATOM 0 HE1 HIS A 33 -5.650 -4.095 -6.098 1.00 1.15 H new ATOM 0 HE2 HIS A 33 -7.947 -3.067 -5.716 1.00 22.10 H new ATOM 536 N ILE A 34 -2.744 2.112 -4.145 1.00 33.34 N ATOM 537 CA ILE A 34 -1.784 3.042 -3.564 1.00 21.33 C ATOM 538 C ILE A 34 -2.134 4.483 -3.917 1.00 4.40 C ATOM 539 O ILE A 34 -1.944 5.395 -3.112 1.00 60.23 O ATOM 540 CB ILE A 34 -0.351 2.743 -4.041 1.00 11.12 C ATOM 541 CG1 ILE A 34 0.001 1.277 -3.782 1.00 52.01 C ATOM 542 CG2 ILE A 34 0.641 3.663 -3.344 1.00 74.42 C ATOM 543 CD1 ILE A 34 1.344 0.868 -4.347 1.00 5.12 C ATOM 0 H ILE A 34 -2.337 1.435 -4.791 1.00 33.34 H new ATOM 0 HA ILE A 34 -1.833 2.912 -2.483 1.00 21.33 H new ATOM 0 HB ILE A 34 -0.295 2.926 -5.114 1.00 11.12 H new ATOM 0 HG12 ILE A 34 -0.002 1.096 -2.707 1.00 52.01 H new ATOM 0 HG13 ILE A 34 -0.774 0.644 -4.214 1.00 52.01 H new ATOM 0 HG21 ILE A 34 1.650 3.440 -3.691 1.00 74.42 H new ATOM 0 HG22 ILE A 34 0.399 4.700 -3.574 1.00 74.42 H new ATOM 0 HG23 ILE A 34 0.586 3.508 -2.266 1.00 74.42 H new ATOM 0 HD11 ILE A 34 1.527 -0.183 -4.126 1.00 5.12 H new ATOM 0 HD12 ILE A 34 1.345 1.017 -5.427 1.00 5.12 H new ATOM 0 HD13 ILE A 34 2.129 1.476 -3.896 1.00 5.12 H new ATOM 555 N VAL A 35 -2.650 4.683 -5.126 1.00 42.53 N ATOM 556 CA VAL A 35 -3.031 6.015 -5.585 1.00 71.34 C ATOM 557 C VAL A 35 -4.217 6.550 -4.792 1.00 44.41 C ATOM 558 O VAL A 35 -4.121 7.587 -4.136 1.00 53.44 O ATOM 559 CB VAL A 35 -3.388 6.010 -7.083 1.00 53.32 C ATOM 560 CG1 VAL A 35 -3.846 7.392 -7.527 1.00 72.15 C ATOM 561 CG2 VAL A 35 -2.201 5.542 -7.911 1.00 21.41 C ATOM 0 H VAL A 35 -2.814 3.940 -5.805 1.00 42.53 H new ATOM 0 HA VAL A 35 -2.170 6.664 -5.427 1.00 71.34 H new ATOM 0 HB VAL A 35 -4.210 5.312 -7.241 1.00 53.32 H new ATOM 0 HG11 VAL A 35 -4.094 7.370 -8.588 1.00 72.15 H new ATOM 0 HG12 VAL A 35 -4.726 7.685 -6.955 1.00 72.15 H new ATOM 0 HG13 VAL A 35 -3.046 8.113 -7.357 1.00 72.15 H new ATOM 0 HG21 VAL A 35 -2.471 5.544 -8.967 1.00 21.41 H new ATOM 0 HG22 VAL A 35 -1.358 6.214 -7.750 1.00 21.41 H new ATOM 0 HG23 VAL A 35 -1.923 4.532 -7.610 1.00 21.41 H new ATOM 571 N TRP A 36 -5.336 5.836 -4.857 1.00 11.34 N ATOM 572 CA TRP A 36 -6.543 6.240 -4.145 1.00 54.43 C ATOM 573 C TRP A 36 -6.278 6.355 -2.647 1.00 73.10 C ATOM 574 O TRP A 36 -6.949 7.110 -1.945 1.00 4.31 O ATOM 575 CB TRP A 36 -7.670 5.239 -4.400 1.00 10.30 C ATOM 576 CG TRP A 36 -8.868 5.457 -3.526 1.00 1.41 C ATOM 577 CD1 TRP A 36 -9.944 6.255 -3.795 1.00 70.44 C ATOM 578 CD2 TRP A 36 -9.110 4.873 -2.242 1.00 11.25 C ATOM 579 NE1 TRP A 36 -10.840 6.200 -2.755 1.00 63.42 N ATOM 580 CE2 TRP A 36 -10.352 5.358 -1.790 1.00 3.24 C ATOM 581 CE3 TRP A 36 -8.399 3.985 -1.431 1.00 52.02 C ATOM 582 CZ2 TRP A 36 -10.895 4.986 -0.563 1.00 30.05 C ATOM 583 CZ3 TRP A 36 -8.938 3.616 -0.214 1.00 22.52 C ATOM 584 CH2 TRP A 36 -10.177 4.115 0.211 1.00 23.44 C ATOM 0 H TRP A 36 -5.432 4.975 -5.395 1.00 11.34 H new ATOM 0 HA TRP A 36 -6.845 7.219 -4.519 1.00 54.43 H new ATOM 0 HB2 TRP A 36 -7.975 5.304 -5.445 1.00 10.30 H new ATOM 0 HB3 TRP A 36 -7.292 4.229 -4.241 1.00 10.30 H new ATOM 0 HD1 TRP A 36 -10.071 6.842 -4.692 1.00 70.44 H new ATOM 0 HE1 TRP A 36 -11.725 6.704 -2.709 1.00 63.42 H new ATOM 0 HE3 TRP A 36 -7.444 3.594 -1.750 1.00 52.02 H new ATOM 0 HZ2 TRP A 36 -11.849 5.371 -0.234 1.00 30.05 H new ATOM 0 HZ3 TRP A 36 -8.396 2.931 0.421 1.00 22.52 H new ATOM 0 HH2 TRP A 36 -10.573 3.806 1.167 1.00 23.44 H new ATOM 595 N ALA A 37 -5.295 5.602 -2.165 1.00 22.14 N ATOM 596 CA ALA A 37 -4.941 5.621 -0.751 1.00 32.24 C ATOM 597 C ALA A 37 -4.271 6.937 -0.371 1.00 1.20 C ATOM 598 O ALA A 37 -4.729 7.639 0.532 1.00 14.24 O ATOM 599 CB ALA A 37 -4.030 4.448 -0.419 1.00 14.52 C ATOM 0 H ALA A 37 -4.729 4.971 -2.733 1.00 22.14 H new ATOM 0 HA ALA A 37 -5.859 5.530 -0.171 1.00 32.24 H new ATOM 0 HB1 ALA A 37 -3.774 4.475 0.640 1.00 14.52 H new ATOM 0 HB2 ALA A 37 -4.543 3.513 -0.645 1.00 14.52 H new ATOM 0 HB3 ALA A 37 -3.119 4.515 -1.014 1.00 14.52 H new ATOM 605 N SER A 38 -3.186 7.266 -1.064 1.00 63.04 N ATOM 606 CA SER A 38 -2.451 8.496 -0.795 1.00 3.44 C ATOM 607 C SER A 38 -3.376 9.707 -0.860 1.00 44.44 C ATOM 608 O SER A 38 -3.137 10.721 -0.203 1.00 62.20 O ATOM 609 CB SER A 38 -1.307 8.661 -1.799 1.00 50.35 C ATOM 610 OG SER A 38 -0.389 7.585 -1.706 1.00 20.03 O ATOM 0 H SER A 38 -2.796 6.698 -1.816 1.00 63.04 H new ATOM 0 HA SER A 38 -2.037 8.430 0.211 1.00 3.44 H new ATOM 0 HB2 SER A 38 -1.711 8.713 -2.810 1.00 50.35 H new ATOM 0 HB3 SER A 38 -0.789 9.602 -1.614 1.00 50.35 H new ATOM 0 HG SER A 38 -0.773 6.790 -2.131 1.00 20.03 H new ATOM 616 N ARG A 39 -4.435 9.594 -1.655 1.00 51.05 N ATOM 617 CA ARG A 39 -5.397 10.678 -1.807 1.00 41.31 C ATOM 618 C ARG A 39 -6.464 10.616 -0.717 1.00 72.23 C ATOM 619 O ARG A 39 -6.771 11.622 -0.078 1.00 12.35 O ATOM 620 CB ARG A 39 -6.057 10.614 -3.185 1.00 4.54 C ATOM 621 CG ARG A 39 -6.385 11.979 -3.768 1.00 11.41 C ATOM 622 CD ARG A 39 -7.620 12.582 -3.116 1.00 64.40 C ATOM 623 NE ARG A 39 -8.455 13.294 -4.080 1.00 70.33 N ATOM 624 CZ ARG A 39 -8.202 14.527 -4.501 1.00 4.03 C ATOM 625 NH1 ARG A 39 -7.143 15.182 -4.046 1.00 11.24 N ATOM 626 NH2 ARG A 39 -9.009 15.109 -5.379 1.00 2.14 N ATOM 0 H ARG A 39 -4.648 8.761 -2.204 1.00 51.05 H new ATOM 0 HA ARG A 39 -4.860 11.622 -1.712 1.00 41.31 H new ATOM 0 HB2 ARG A 39 -5.395 10.085 -3.871 1.00 4.54 H new ATOM 0 HB3 ARG A 39 -6.974 10.030 -3.112 1.00 4.54 H new ATOM 0 HG2 ARG A 39 -5.536 12.648 -3.630 1.00 11.41 H new ATOM 0 HG3 ARG A 39 -6.547 11.888 -4.842 1.00 11.41 H new ATOM 0 HD2 ARG A 39 -8.204 11.791 -2.645 1.00 64.40 H new ATOM 0 HD3 ARG A 39 -7.315 13.267 -2.325 1.00 64.40 H new ATOM 0 HE ARG A 39 -9.278 12.818 -4.450 1.00 70.33 H new ATOM 0 HH11 ARG A 39 -6.520 14.738 -3.371 1.00 11.24 H new ATOM 0 HH12 ARG A 39 -6.951 16.129 -4.371 1.00 11.24 H new ATOM 0 HH21 ARG A 39 -9.825 14.609 -5.731 1.00 2.14 H new ATOM 0 HH22 ARG A 39 -8.813 16.057 -5.702 1.00 2.14 H new ATOM 640 N GLU A 40 -7.023 9.428 -0.510 1.00 22.23 N ATOM 641 CA GLU A 40 -8.056 9.237 0.501 1.00 71.41 C ATOM 642 C GLU A 40 -7.583 9.738 1.863 1.00 24.24 C ATOM 643 O GLU A 40 -8.289 10.485 2.541 1.00 22.23 O ATOM 644 CB GLU A 40 -8.439 7.758 0.596 1.00 5.23 C ATOM 645 CG GLU A 40 -9.695 7.506 1.414 1.00 10.22 C ATOM 646 CD GLU A 40 -10.899 8.259 0.881 1.00 11.42 C ATOM 647 OE1 GLU A 40 -11.091 8.273 -0.353 1.00 41.45 O ATOM 648 OE2 GLU A 40 -11.648 8.835 1.697 1.00 61.55 O ATOM 0 H GLU A 40 -6.778 8.584 -1.028 1.00 22.23 H new ATOM 0 HA GLU A 40 -8.931 9.815 0.204 1.00 71.41 H new ATOM 0 HB2 GLU A 40 -8.585 7.364 -0.410 1.00 5.23 H new ATOM 0 HB3 GLU A 40 -7.611 7.204 1.038 1.00 5.23 H new ATOM 0 HG2 GLU A 40 -9.912 6.438 1.419 1.00 10.22 H new ATOM 0 HG3 GLU A 40 -9.516 7.800 2.448 1.00 10.22 H new ATOM 655 N LEU A 41 -6.385 9.322 2.256 1.00 51.02 N ATOM 656 CA LEU A 41 -5.816 9.727 3.537 1.00 51.20 C ATOM 657 C LEU A 41 -5.846 11.245 3.690 1.00 43.13 C ATOM 658 O LEU A 41 -6.148 11.764 4.763 1.00 65.23 O ATOM 659 CB LEU A 41 -4.379 9.219 3.664 1.00 64.42 C ATOM 660 CG LEU A 41 -4.208 7.700 3.725 1.00 13.41 C ATOM 661 CD1 LEU A 41 -2.785 7.310 3.358 1.00 71.30 C ATOM 662 CD2 LEU A 41 -4.566 7.177 5.108 1.00 5.43 C ATOM 0 H LEU A 41 -5.788 8.704 1.706 1.00 51.02 H new ATOM 0 HA LEU A 41 -6.421 9.287 4.330 1.00 51.20 H new ATOM 0 HB2 LEU A 41 -3.805 9.596 2.817 1.00 64.42 H new ATOM 0 HB3 LEU A 41 -3.940 9.651 4.564 1.00 64.42 H new ATOM 0 HG LEU A 41 -4.886 7.248 3.002 1.00 13.41 H new ATOM 0 HD11 LEU A 41 -2.681 6.226 3.407 1.00 71.30 H new ATOM 0 HD12 LEU A 41 -2.564 7.651 2.347 1.00 71.30 H new ATOM 0 HD13 LEU A 41 -2.089 7.773 4.057 1.00 71.30 H new ATOM 0 HD21 LEU A 41 -4.438 6.095 5.132 1.00 5.43 H new ATOM 0 HD22 LEU A 41 -3.913 7.636 5.851 1.00 5.43 H new ATOM 0 HD23 LEU A 41 -5.603 7.425 5.334 1.00 5.43 H new ATOM 674 N GLU A 42 -5.532 11.950 2.607 1.00 72.54 N ATOM 675 CA GLU A 42 -5.523 13.408 2.622 1.00 4.13 C ATOM 676 C GLU A 42 -6.895 13.955 3.006 1.00 41.22 C ATOM 677 O GLU A 42 -7.006 15.053 3.551 1.00 41.44 O ATOM 678 CB GLU A 42 -5.111 13.951 1.252 1.00 60.02 C ATOM 679 CG GLU A 42 -3.980 14.965 1.314 1.00 65.34 C ATOM 680 CD GLU A 42 -4.473 16.394 1.205 1.00 14.20 C ATOM 681 OE1 GLU A 42 -5.074 16.736 0.166 1.00 24.25 O ATOM 682 OE2 GLU A 42 -4.255 17.172 2.158 1.00 21.33 O ATOM 0 H GLU A 42 -5.281 11.535 1.710 1.00 72.54 H new ATOM 0 HA GLU A 42 -4.798 13.735 3.368 1.00 4.13 H new ATOM 0 HB2 GLU A 42 -4.807 13.119 0.617 1.00 60.02 H new ATOM 0 HB3 GLU A 42 -5.977 14.414 0.778 1.00 60.02 H new ATOM 0 HG2 GLU A 42 -3.438 14.842 2.251 1.00 65.34 H new ATOM 0 HG3 GLU A 42 -3.273 14.766 0.508 1.00 65.34 H new ATOM 689 N ARG A 43 -7.937 13.182 2.717 1.00 75.11 N ATOM 690 CA ARG A 43 -9.302 13.589 3.030 1.00 33.13 C ATOM 691 C ARG A 43 -9.625 13.320 4.496 1.00 44.24 C ATOM 692 O ARG A 43 -10.426 14.031 5.107 1.00 11.23 O ATOM 693 CB ARG A 43 -10.296 12.850 2.133 1.00 71.42 C ATOM 694 CG ARG A 43 -11.364 13.751 1.536 1.00 1.35 C ATOM 695 CD ARG A 43 -12.695 13.027 1.408 1.00 11.44 C ATOM 696 NE ARG A 43 -13.632 13.414 2.460 1.00 22.03 N ATOM 697 CZ ARG A 43 -14.288 14.569 2.470 1.00 65.04 C ATOM 698 NH1 ARG A 43 -14.111 15.446 1.492 1.00 72.53 N ATOM 699 NH2 ARG A 43 -15.124 14.849 3.463 1.00 22.25 N ATOM 0 H ARG A 43 -7.862 12.270 2.266 1.00 75.11 H new ATOM 0 HA ARG A 43 -9.387 14.660 2.847 1.00 33.13 H new ATOM 0 HB2 ARG A 43 -9.750 12.363 1.325 1.00 71.42 H new ATOM 0 HB3 ARG A 43 -10.779 12.063 2.712 1.00 71.42 H new ATOM 0 HG2 ARG A 43 -11.488 14.635 2.162 1.00 1.35 H new ATOM 0 HG3 ARG A 43 -11.042 14.098 0.554 1.00 1.35 H new ATOM 0 HD2 ARG A 43 -13.134 13.244 0.434 1.00 11.44 H new ATOM 0 HD3 ARG A 43 -12.528 11.951 1.449 1.00 11.44 H new ATOM 0 HE ARG A 43 -13.791 12.762 3.228 1.00 22.03 H new ATOM 0 HH11 ARG A 43 -13.469 15.235 0.728 1.00 72.53 H new ATOM 0 HH12 ARG A 43 -14.617 16.332 1.504 1.00 72.53 H new ATOM 0 HH21 ARG A 43 -15.262 14.177 4.218 1.00 22.25 H new ATOM 0 HH22 ARG A 43 -15.628 15.736 3.471 1.00 22.25 H new ATOM 713 N PHE A 44 -9.000 12.291 5.056 1.00 61.24 N ATOM 714 CA PHE A 44 -9.223 11.927 6.451 1.00 64.43 C ATOM 715 C PHE A 44 -8.221 12.629 7.363 1.00 60.43 C ATOM 716 O PHE A 44 -7.782 12.069 8.367 1.00 50.35 O ATOM 717 CB PHE A 44 -9.117 10.411 6.629 1.00 12.24 C ATOM 718 CG PHE A 44 -10.269 9.655 6.032 1.00 30.42 C ATOM 719 CD1 PHE A 44 -11.567 9.905 6.447 1.00 64.32 C ATOM 720 CD2 PHE A 44 -10.056 8.695 5.056 1.00 75.14 C ATOM 721 CE1 PHE A 44 -12.630 9.210 5.901 1.00 73.00 C ATOM 722 CE2 PHE A 44 -11.114 7.997 4.506 1.00 13.23 C ATOM 723 CZ PHE A 44 -12.403 8.256 4.928 1.00 62.13 C ATOM 0 H PHE A 44 -8.334 11.693 4.566 1.00 61.24 H new ATOM 0 HA PHE A 44 -10.227 12.248 6.728 1.00 64.43 H new ATOM 0 HB2 PHE A 44 -8.190 10.064 6.173 1.00 12.24 H new ATOM 0 HB3 PHE A 44 -9.055 10.182 7.693 1.00 12.24 H new ATOM 0 HD1 PHE A 44 -11.750 10.651 7.206 1.00 64.32 H new ATOM 0 HD2 PHE A 44 -9.050 8.490 4.721 1.00 75.14 H new ATOM 0 HE1 PHE A 44 -13.637 9.413 6.235 1.00 73.00 H new ATOM 0 HE2 PHE A 44 -10.933 7.250 3.747 1.00 13.23 H new ATOM 0 HZ PHE A 44 -13.232 7.714 4.498 1.00 62.13 H new ATOM 733 N ALA A 45 -7.865 13.858 7.006 1.00 0.45 N ATOM 734 CA ALA A 45 -6.916 14.638 7.792 1.00 24.11 C ATOM 735 C ALA A 45 -5.671 13.820 8.116 1.00 54.52 C ATOM 736 O ALA A 45 -4.982 14.085 9.102 1.00 20.32 O ATOM 737 CB ALA A 45 -7.573 15.133 9.071 1.00 10.20 C ATOM 0 H ALA A 45 -8.219 14.336 6.177 1.00 0.45 H new ATOM 0 HA ALA A 45 -6.609 15.499 7.198 1.00 24.11 H new ATOM 0 HB1 ALA A 45 -6.854 15.714 9.648 1.00 10.20 H new ATOM 0 HB2 ALA A 45 -8.429 15.760 8.821 1.00 10.20 H new ATOM 0 HB3 ALA A 45 -7.908 14.280 9.661 1.00 10.20 H new ATOM 743 N VAL A 46 -5.386 12.826 7.281 1.00 50.50 N ATOM 744 CA VAL A 46 -4.222 11.970 7.480 1.00 3.03 C ATOM 745 C VAL A 46 -3.235 12.109 6.326 1.00 51.50 C ATOM 746 O VAL A 46 -3.557 11.799 5.180 1.00 54.24 O ATOM 747 CB VAL A 46 -4.630 10.492 7.616 1.00 20.42 C ATOM 748 CG1 VAL A 46 -3.398 9.607 7.739 1.00 2.22 C ATOM 749 CG2 VAL A 46 -5.554 10.301 8.810 1.00 10.14 C ATOM 0 H VAL A 46 -5.945 12.593 6.460 1.00 50.50 H new ATOM 0 HA VAL A 46 -3.744 12.294 8.405 1.00 3.03 H new ATOM 0 HB VAL A 46 -5.171 10.199 6.716 1.00 20.42 H new ATOM 0 HG11 VAL A 46 -3.706 8.566 7.834 1.00 2.22 H new ATOM 0 HG12 VAL A 46 -2.777 9.722 6.850 1.00 2.22 H new ATOM 0 HG13 VAL A 46 -2.827 9.899 8.621 1.00 2.22 H new ATOM 0 HG21 VAL A 46 -5.832 9.250 8.890 1.00 10.14 H new ATOM 0 HG22 VAL A 46 -5.041 10.611 9.720 1.00 10.14 H new ATOM 0 HG23 VAL A 46 -6.452 10.905 8.676 1.00 10.14 H new ATOM 759 N ASN A 47 -2.032 12.579 6.639 1.00 11.11 N ATOM 760 CA ASN A 47 -0.995 12.759 5.628 1.00 44.33 C ATOM 761 C ASN A 47 -0.654 11.433 4.957 1.00 13.25 C ATOM 762 O ASN A 47 -0.559 10.389 5.601 1.00 74.00 O ATOM 763 CB ASN A 47 0.261 13.365 6.258 1.00 32.22 C ATOM 764 CG ASN A 47 0.035 14.779 6.754 1.00 13.40 C ATOM 765 OD1 ASN A 47 -0.141 15.706 5.962 1.00 75.40 O ATOM 766 ND2 ASN A 47 0.039 14.953 8.071 1.00 32.14 N ATOM 0 H ASN A 47 -1.751 12.842 7.584 1.00 11.11 H new ATOM 0 HA ASN A 47 -1.377 13.441 4.869 1.00 44.33 H new ATOM 0 HB2 ASN A 47 0.585 12.739 7.089 1.00 32.22 H new ATOM 0 HB3 ASN A 47 1.068 13.365 5.525 1.00 32.22 H new ATOM 0 HD21 ASN A 47 -0.108 15.883 8.463 1.00 32.14 H new ATOM 0 HD22 ASN A 47 0.189 14.156 8.690 1.00 32.14 H new ATOM 773 N PRO A 48 -0.462 11.474 3.630 1.00 23.34 N ATOM 774 CA PRO A 48 -0.127 10.284 2.841 1.00 12.10 C ATOM 775 C PRO A 48 1.283 9.778 3.127 1.00 53.33 C ATOM 776 O PRO A 48 1.696 8.739 2.615 1.00 31.13 O ATOM 777 CB PRO A 48 -0.236 10.774 1.395 1.00 21.41 C ATOM 778 CG PRO A 48 0.003 12.242 1.474 1.00 33.24 C ATOM 779 CD PRO A 48 -0.560 12.684 2.797 1.00 34.25 C ATOM 0 HA PRO A 48 -0.783 9.444 3.071 1.00 12.10 H new ATOM 0 HB2 PRO A 48 0.500 10.287 0.755 1.00 21.41 H new ATOM 0 HB3 PRO A 48 -1.218 10.555 0.976 1.00 21.41 H new ATOM 0 HG2 PRO A 48 1.067 12.468 1.408 1.00 33.24 H new ATOM 0 HG3 PRO A 48 -0.485 12.762 0.649 1.00 33.24 H new ATOM 0 HD2 PRO A 48 0.010 13.511 3.220 1.00 34.25 H new ATOM 0 HD3 PRO A 48 -1.591 13.024 2.702 1.00 34.25 H new ATOM 787 N GLY A 49 2.018 10.522 3.949 1.00 73.31 N ATOM 788 CA GLY A 49 3.374 10.131 4.289 1.00 54.43 C ATOM 789 C GLY A 49 3.417 9.040 5.340 1.00 31.41 C ATOM 790 O GLY A 49 4.494 8.589 5.734 1.00 43.45 O ATOM 0 H GLY A 49 1.699 11.387 4.385 1.00 73.31 H new ATOM 0 HA2 GLY A 49 3.885 9.786 3.390 1.00 54.43 H new ATOM 0 HA3 GLY A 49 3.920 11.002 4.652 1.00 54.43 H new ATOM 794 N LEU A 50 2.245 8.613 5.796 1.00 33.14 N ATOM 795 CA LEU A 50 2.152 7.568 6.809 1.00 55.01 C ATOM 796 C LEU A 50 2.195 6.184 6.169 1.00 30.41 C ATOM 797 O LEU A 50 1.961 5.173 6.833 1.00 41.34 O ATOM 798 CB LEU A 50 0.866 7.728 7.620 1.00 42.43 C ATOM 799 CG LEU A 50 0.754 9.004 8.456 1.00 51.30 C ATOM 800 CD1 LEU A 50 -0.574 9.042 9.196 1.00 40.30 C ATOM 801 CD2 LEU A 50 1.915 9.104 9.434 1.00 52.30 C ATOM 0 H LEU A 50 1.345 8.975 5.480 1.00 33.14 H new ATOM 0 HA LEU A 50 3.008 7.666 7.476 1.00 55.01 H new ATOM 0 HB2 LEU A 50 0.020 7.692 6.933 1.00 42.43 H new ATOM 0 HB3 LEU A 50 0.772 6.871 8.287 1.00 42.43 H new ATOM 0 HG LEU A 50 0.797 9.861 7.784 1.00 51.30 H new ATOM 0 HD11 LEU A 50 -0.636 9.957 9.785 1.00 40.30 H new ATOM 0 HD12 LEU A 50 -1.392 9.018 8.476 1.00 40.30 H new ATOM 0 HD13 LEU A 50 -0.647 8.179 9.857 1.00 40.30 H new ATOM 0 HD21 LEU A 50 1.819 10.018 10.020 1.00 52.30 H new ATOM 0 HD22 LEU A 50 1.904 8.242 10.101 1.00 52.30 H new ATOM 0 HD23 LEU A 50 2.855 9.124 8.882 1.00 52.30 H new ATOM 813 N LEU A 51 2.495 6.145 4.875 1.00 73.25 N ATOM 814 CA LEU A 51 2.571 4.884 4.145 1.00 71.51 C ATOM 815 C LEU A 51 4.021 4.495 3.879 1.00 60.13 C ATOM 816 O LEU A 51 4.297 3.415 3.358 1.00 13.41 O ATOM 817 CB LEU A 51 1.809 4.991 2.823 1.00 51.25 C ATOM 818 CG LEU A 51 0.452 5.694 2.886 1.00 60.24 C ATOM 819 CD1 LEU A 51 -0.079 5.956 1.485 1.00 71.40 C ATOM 820 CD2 LEU A 51 -0.541 4.865 3.688 1.00 74.24 C ATOM 0 H LEU A 51 2.689 6.972 4.310 1.00 73.25 H new ATOM 0 HA LEU A 51 2.113 4.109 4.760 1.00 71.51 H new ATOM 0 HB2 LEU A 51 2.437 5.520 2.106 1.00 51.25 H new ATOM 0 HB3 LEU A 51 1.657 3.985 2.432 1.00 51.25 H new ATOM 0 HG LEU A 51 0.584 6.653 3.388 1.00 60.24 H new ATOM 0 HD11 LEU A 51 -1.045 6.457 1.550 1.00 71.40 H new ATOM 0 HD12 LEU A 51 0.623 6.590 0.943 1.00 71.40 H new ATOM 0 HD13 LEU A 51 -0.196 5.009 0.957 1.00 71.40 H new ATOM 0 HD21 LEU A 51 -1.501 5.380 3.723 1.00 74.24 H new ATOM 0 HD22 LEU A 51 -0.668 3.892 3.214 1.00 74.24 H new ATOM 0 HD23 LEU A 51 -0.166 4.729 4.702 1.00 74.24 H new ATOM 832 N GLU A 52 4.943 5.380 4.243 1.00 44.44 N ATOM 833 CA GLU A 52 6.365 5.127 4.046 1.00 14.13 C ATOM 834 C GLU A 52 7.051 4.809 5.370 1.00 71.33 C ATOM 835 O GLU A 52 8.127 5.330 5.668 1.00 22.31 O ATOM 836 CB GLU A 52 7.034 6.338 3.391 1.00 11.24 C ATOM 837 CG GLU A 52 6.709 7.657 4.072 1.00 24.42 C ATOM 838 CD GLU A 52 7.574 8.798 3.576 1.00 4.52 C ATOM 839 OE1 GLU A 52 7.962 8.777 2.389 1.00 2.11 O ATOM 840 OE2 GLU A 52 7.861 9.715 4.374 1.00 71.32 O ATOM 0 H GLU A 52 4.731 6.279 4.676 1.00 44.44 H new ATOM 0 HA GLU A 52 6.466 4.263 3.389 1.00 14.13 H new ATOM 0 HB2 GLU A 52 8.114 6.193 3.397 1.00 11.24 H new ATOM 0 HB3 GLU A 52 6.725 6.392 2.347 1.00 11.24 H new ATOM 0 HG2 GLU A 52 5.660 7.901 3.902 1.00 24.42 H new ATOM 0 HG3 GLU A 52 6.840 7.548 5.149 1.00 24.42 H new ATOM 847 N THR A 53 6.421 3.947 6.164 1.00 1.11 N ATOM 848 CA THR A 53 6.969 3.560 7.457 1.00 64.33 C ATOM 849 C THR A 53 6.088 2.517 8.137 1.00 43.21 C ATOM 850 O THR A 53 4.900 2.748 8.364 1.00 63.30 O ATOM 851 CB THR A 53 7.119 4.775 8.392 1.00 11.25 C ATOM 852 OG1 THR A 53 6.992 4.363 9.757 1.00 22.43 O ATOM 853 CG2 THR A 53 6.072 5.833 8.077 1.00 30.23 C ATOM 0 H THR A 53 5.531 3.505 5.933 1.00 1.11 H new ATOM 0 HA THR A 53 7.954 3.134 7.267 1.00 64.33 H new ATOM 0 HB THR A 53 8.108 5.206 8.234 1.00 11.25 H new ATOM 0 HG1 THR A 53 7.090 5.141 10.344 1.00 22.43 H new ATOM 0 HG21 THR A 53 6.198 6.681 8.750 1.00 30.23 H new ATOM 0 HG22 THR A 53 6.191 6.167 7.046 1.00 30.23 H new ATOM 0 HG23 THR A 53 5.076 5.410 8.209 1.00 30.23 H new ATOM 861 N SER A 54 6.677 1.371 8.459 1.00 72.40 N ATOM 862 CA SER A 54 5.945 0.291 9.110 1.00 64.40 C ATOM 863 C SER A 54 5.208 0.801 10.345 1.00 34.01 C ATOM 864 O SER A 54 4.109 0.346 10.657 1.00 64.15 O ATOM 865 CB SER A 54 6.899 -0.838 9.503 1.00 55.11 C ATOM 866 OG SER A 54 7.114 -0.862 10.903 1.00 42.44 O ATOM 0 H SER A 54 7.660 1.166 8.280 1.00 72.40 H new ATOM 0 HA SER A 54 5.211 -0.094 8.402 1.00 64.40 H new ATOM 0 HB2 SER A 54 6.488 -1.794 9.179 1.00 55.11 H new ATOM 0 HB3 SER A 54 7.851 -0.709 8.988 1.00 55.11 H new ATOM 0 HG SER A 54 7.726 -1.594 11.127 1.00 42.44 H new ATOM 872 N GLU A 55 5.823 1.750 11.044 1.00 14.22 N ATOM 873 CA GLU A 55 5.227 2.323 12.245 1.00 13.13 C ATOM 874 C GLU A 55 4.215 3.407 11.887 1.00 31.03 C ATOM 875 O GLU A 55 3.315 3.712 12.666 1.00 4.32 O ATOM 876 CB GLU A 55 6.313 2.903 13.153 1.00 40.21 C ATOM 877 CG GLU A 55 6.800 1.933 14.217 1.00 42.20 C ATOM 878 CD GLU A 55 7.744 2.583 15.211 1.00 1.03 C ATOM 879 OE1 GLU A 55 8.813 3.066 14.784 1.00 54.31 O ATOM 880 OE2 GLU A 55 7.412 2.607 16.414 1.00 21.13 O ATOM 0 H GLU A 55 6.734 2.138 10.799 1.00 14.22 H new ATOM 0 HA GLU A 55 4.706 1.526 12.776 1.00 13.13 H new ATOM 0 HB2 GLU A 55 7.160 3.212 12.540 1.00 40.21 H new ATOM 0 HB3 GLU A 55 5.928 3.799 13.639 1.00 40.21 H new ATOM 0 HG2 GLU A 55 5.942 1.524 14.750 1.00 42.20 H new ATOM 0 HG3 GLU A 55 7.305 1.095 13.736 1.00 42.20 H new ATOM 887 N GLY A 56 4.373 3.986 10.699 1.00 65.45 N ATOM 888 CA GLY A 56 3.466 5.029 10.257 1.00 41.52 C ATOM 889 C GLY A 56 2.146 4.479 9.756 1.00 75.41 C ATOM 890 O GLY A 56 1.129 5.172 9.776 1.00 22.21 O ATOM 0 H GLY A 56 5.112 3.751 10.036 1.00 65.45 H new ATOM 0 HA2 GLY A 56 3.279 5.717 11.082 1.00 41.52 H new ATOM 0 HA3 GLY A 56 3.940 5.605 9.463 1.00 41.52 H new ATOM 894 N CYS A 57 2.163 3.229 9.304 1.00 12.14 N ATOM 895 CA CYS A 57 0.958 2.586 8.791 1.00 53.41 C ATOM 896 C CYS A 57 0.082 2.084 9.935 1.00 2.22 C ATOM 897 O CYS A 57 -1.042 2.551 10.119 1.00 64.42 O ATOM 898 CB CYS A 57 1.329 1.424 7.868 1.00 45.30 C ATOM 899 SG CYS A 57 2.573 1.838 6.625 1.00 34.05 S ATOM 0 H CYS A 57 2.997 2.642 9.282 1.00 12.14 H new ATOM 0 HA CYS A 57 0.394 3.325 8.223 1.00 53.41 H new ATOM 0 HB2 CYS A 57 1.698 0.596 8.474 1.00 45.30 H new ATOM 0 HB3 CYS A 57 0.429 1.073 7.363 1.00 45.30 H new ATOM 0 HG CYS A 57 3.699 2.113 7.213 1.00 34.05 H new ATOM 905 N ARG A 58 0.604 1.129 10.698 1.00 3.01 N ATOM 906 CA ARG A 58 -0.132 0.562 11.821 1.00 54.11 C ATOM 907 C ARG A 58 -0.792 1.660 12.649 1.00 53.33 C ATOM 908 O ARG A 58 -1.890 1.480 13.174 1.00 20.03 O ATOM 909 CB ARG A 58 0.804 -0.265 12.705 1.00 63.50 C ATOM 910 CG ARG A 58 0.258 -1.642 13.047 1.00 32.42 C ATOM 911 CD ARG A 58 0.958 -2.234 14.260 1.00 12.23 C ATOM 912 NE ARG A 58 0.657 -1.492 15.481 1.00 21.40 N ATOM 913 CZ ARG A 58 0.996 -1.907 16.696 1.00 43.11 C ATOM 914 NH1 ARG A 58 1.646 -3.052 16.851 1.00 60.45 N ATOM 915 NH2 ARG A 58 0.686 -1.177 17.760 1.00 11.52 N ATOM 0 H ARG A 58 1.533 0.732 10.559 1.00 3.01 H new ATOM 0 HA ARG A 58 -0.912 -0.086 11.422 1.00 54.11 H new ATOM 0 HB2 ARG A 58 1.762 -0.379 12.199 1.00 63.50 H new ATOM 0 HB3 ARG A 58 0.995 0.281 13.629 1.00 63.50 H new ATOM 0 HG2 ARG A 58 -0.812 -1.572 13.241 1.00 32.42 H new ATOM 0 HG3 ARG A 58 0.384 -2.307 12.193 1.00 32.42 H new ATOM 0 HD2 ARG A 58 0.654 -3.273 14.383 1.00 12.23 H new ATOM 0 HD3 ARG A 58 2.035 -2.235 14.092 1.00 12.23 H new ATOM 0 HE ARG A 58 0.159 -0.606 15.396 1.00 21.40 H new ATOM 0 HH11 ARG A 58 1.887 -3.616 16.036 1.00 60.45 H new ATOM 0 HH12 ARG A 58 1.905 -3.369 17.785 1.00 60.45 H new ATOM 0 HH21 ARG A 58 0.186 -0.295 17.645 1.00 11.52 H new ATOM 0 HH22 ARG A 58 0.947 -1.498 18.692 1.00 11.52 H new ATOM 929 N GLN A 59 -0.112 2.797 12.763 1.00 43.11 N ATOM 930 CA GLN A 59 -0.633 3.924 13.529 1.00 61.20 C ATOM 931 C GLN A 59 -1.952 4.417 12.943 1.00 43.20 C ATOM 932 O GLN A 59 -2.871 4.779 13.678 1.00 45.20 O ATOM 933 CB GLN A 59 0.386 5.064 13.554 1.00 53.34 C ATOM 934 CG GLN A 59 0.362 5.873 14.841 1.00 72.31 C ATOM 935 CD GLN A 59 1.595 5.648 15.695 1.00 21.41 C ATOM 936 OE1 GLN A 59 2.717 5.611 15.188 1.00 42.04 O ATOM 937 NE2 GLN A 59 1.393 5.493 16.998 1.00 44.44 N ATOM 0 H GLN A 59 0.799 2.962 12.336 1.00 43.11 H new ATOM 0 HA GLN A 59 -0.814 3.586 14.549 1.00 61.20 H new ATOM 0 HB2 GLN A 59 1.385 4.651 13.413 1.00 53.34 H new ATOM 0 HB3 GLN A 59 0.195 5.730 12.712 1.00 53.34 H new ATOM 0 HG2 GLN A 59 0.281 6.933 14.598 1.00 72.31 H new ATOM 0 HG3 GLN A 59 -0.526 5.609 15.415 1.00 72.31 H new ATOM 0 HE21 GLN A 59 0.446 5.531 17.375 1.00 44.44 H new ATOM 0 HE22 GLN A 59 2.185 5.336 17.622 1.00 44.44 H new ATOM 946 N ILE A 60 -2.038 4.429 11.618 1.00 14.34 N ATOM 947 CA ILE A 60 -3.244 4.878 10.934 1.00 41.34 C ATOM 948 C ILE A 60 -4.455 4.056 11.362 1.00 1.23 C ATOM 949 O ILE A 60 -5.509 4.606 11.686 1.00 74.54 O ATOM 950 CB ILE A 60 -3.091 4.788 9.405 1.00 12.23 C ATOM 951 CG1 ILE A 60 -1.872 5.591 8.944 1.00 63.31 C ATOM 952 CG2 ILE A 60 -4.352 5.289 8.716 1.00 23.23 C ATOM 953 CD1 ILE A 60 -1.311 5.129 7.617 1.00 74.14 C ATOM 0 H ILE A 60 -1.286 4.133 10.996 1.00 14.34 H new ATOM 0 HA ILE A 60 -3.397 5.920 11.214 1.00 41.34 H new ATOM 0 HB ILE A 60 -2.940 3.744 9.131 1.00 12.23 H new ATOM 0 HG12 ILE A 60 -2.148 6.643 8.866 1.00 63.31 H new ATOM 0 HG13 ILE A 60 -1.093 5.521 9.703 1.00 63.31 H new ATOM 0 HG21 ILE A 60 -4.228 5.219 7.635 1.00 23.23 H new ATOM 0 HG22 ILE A 60 -5.202 4.680 9.024 1.00 23.23 H new ATOM 0 HG23 ILE A 60 -4.531 6.328 8.994 1.00 23.23 H new ATOM 0 HD11 ILE A 60 -0.450 5.742 7.353 1.00 74.14 H new ATOM 0 HD12 ILE A 60 -1.004 4.086 7.695 1.00 74.14 H new ATOM 0 HD13 ILE A 60 -2.075 5.225 6.846 1.00 74.14 H new ATOM 965 N LEU A 61 -4.299 2.738 11.361 1.00 33.23 N ATOM 966 CA LEU A 61 -5.379 1.838 11.751 1.00 21.13 C ATOM 967 C LEU A 61 -5.914 2.196 13.133 1.00 41.42 C ATOM 968 O LEU A 61 -7.097 2.018 13.418 1.00 73.03 O ATOM 969 CB LEU A 61 -4.892 0.389 11.740 1.00 34.42 C ATOM 970 CG LEU A 61 -4.316 -0.117 10.416 1.00 51.31 C ATOM 971 CD1 LEU A 61 -3.492 -1.375 10.638 1.00 22.20 C ATOM 972 CD2 LEU A 61 -5.430 -0.375 9.414 1.00 2.05 C ATOM 0 H LEU A 61 -3.434 2.267 11.094 1.00 33.23 H new ATOM 0 HA LEU A 61 -6.188 1.948 11.029 1.00 21.13 H new ATOM 0 HB2 LEU A 61 -4.130 0.277 12.511 1.00 34.42 H new ATOM 0 HB3 LEU A 61 -5.725 -0.255 12.020 1.00 34.42 H new ATOM 0 HG LEU A 61 -3.661 0.653 10.009 1.00 51.31 H new ATOM 0 HD11 LEU A 61 -3.091 -1.720 9.685 1.00 22.20 H new ATOM 0 HD12 LEU A 61 -2.670 -1.156 11.320 1.00 22.20 H new ATOM 0 HD13 LEU A 61 -4.123 -2.152 11.068 1.00 22.20 H new ATOM 0 HD21 LEU A 61 -5.002 -0.734 8.478 1.00 2.05 H new ATOM 0 HD22 LEU A 61 -6.112 -1.126 9.813 1.00 2.05 H new ATOM 0 HD23 LEU A 61 -5.976 0.550 9.231 1.00 2.05 H new ATOM 984 N GLY A 62 -5.033 2.706 13.989 1.00 35.31 N ATOM 985 CA GLY A 62 -5.435 3.084 15.331 1.00 30.11 C ATOM 986 C GLY A 62 -6.395 4.258 15.340 1.00 33.11 C ATOM 987 O GLY A 62 -7.268 4.346 16.203 1.00 14.41 O ATOM 0 H GLY A 62 -4.048 2.864 13.776 1.00 35.31 H new ATOM 0 HA2 GLY A 62 -5.905 2.231 15.820 1.00 30.11 H new ATOM 0 HA3 GLY A 62 -4.550 3.338 15.914 1.00 30.11 H new ATOM 991 N GLN A 63 -6.231 5.161 14.379 1.00 30.03 N ATOM 992 CA GLN A 63 -7.088 6.336 14.282 1.00 11.11 C ATOM 993 C GLN A 63 -8.475 5.957 13.773 1.00 5.02 C ATOM 994 O GLN A 63 -9.489 6.380 14.330 1.00 52.11 O ATOM 995 CB GLN A 63 -6.459 7.377 13.355 1.00 53.30 C ATOM 996 CG GLN A 63 -5.629 8.420 14.086 1.00 4.52 C ATOM 997 CD GLN A 63 -5.537 9.729 13.328 1.00 12.22 C ATOM 998 OE1 GLN A 63 -6.250 10.687 13.630 1.00 15.02 O ATOM 999 NE2 GLN A 63 -4.656 9.778 12.335 1.00 11.12 N ATOM 0 H GLN A 63 -5.513 5.101 13.657 1.00 30.03 H new ATOM 0 HA GLN A 63 -7.191 6.763 15.280 1.00 11.11 H new ATOM 0 HB2 GLN A 63 -5.828 6.868 12.626 1.00 53.30 H new ATOM 0 HB3 GLN A 63 -7.249 7.879 12.797 1.00 53.30 H new ATOM 0 HG2 GLN A 63 -6.066 8.603 15.068 1.00 4.52 H new ATOM 0 HG3 GLN A 63 -4.625 8.029 14.251 1.00 4.52 H new ATOM 0 HE21 GLN A 63 -4.085 8.961 12.119 1.00 11.12 H new ATOM 0 HE22 GLN A 63 -4.550 10.633 11.789 1.00 11.12 H new ATOM 1008 N LEU A 64 -8.513 5.159 12.711 1.00 41.32 N ATOM 1009 CA LEU A 64 -9.776 4.723 12.127 1.00 4.21 C ATOM 1010 C LEU A 64 -10.392 3.591 12.942 1.00 12.33 C ATOM 1011 O LEU A 64 -11.585 3.311 12.830 1.00 20.30 O ATOM 1012 CB LEU A 64 -9.562 4.269 10.682 1.00 12.13 C ATOM 1013 CG LEU A 64 -8.571 5.093 9.859 1.00 72.22 C ATOM 1014 CD1 LEU A 64 -8.227 4.375 8.563 1.00 72.02 C ATOM 1015 CD2 LEU A 64 -9.135 6.476 9.571 1.00 25.24 C ATOM 0 H LEU A 64 -7.684 4.801 12.237 1.00 41.32 H new ATOM 0 HA LEU A 64 -10.464 5.569 12.138 1.00 4.21 H new ATOM 0 HB2 LEU A 64 -9.221 3.234 10.694 1.00 12.13 H new ATOM 0 HB3 LEU A 64 -10.525 4.281 10.172 1.00 12.13 H new ATOM 0 HG LEU A 64 -7.656 5.210 10.440 1.00 72.22 H new ATOM 0 HD11 LEU A 64 -7.521 4.976 7.990 1.00 72.02 H new ATOM 0 HD12 LEU A 64 -7.779 3.408 8.791 1.00 72.02 H new ATOM 0 HD13 LEU A 64 -9.134 4.226 7.978 1.00 72.02 H new ATOM 0 HD21 LEU A 64 -8.416 7.047 8.984 1.00 25.24 H new ATOM 0 HD22 LEU A 64 -10.065 6.380 9.011 1.00 25.24 H new ATOM 0 HD23 LEU A 64 -9.329 6.993 10.511 1.00 25.24 H new ATOM 1027 N GLN A 65 -9.570 2.946 13.763 1.00 61.01 N ATOM 1028 CA GLN A 65 -10.035 1.845 14.598 1.00 61.15 C ATOM 1029 C GLN A 65 -11.303 2.232 15.353 1.00 21.21 C ATOM 1030 O GLN A 65 -12.354 1.605 15.212 1.00 11.45 O ATOM 1031 CB GLN A 65 -8.944 1.432 15.589 1.00 2.55 C ATOM 1032 CG GLN A 65 -8.452 0.007 15.393 1.00 52.13 C ATOM 1033 CD GLN A 65 -9.483 -1.028 15.799 1.00 52.34 C ATOM 1034 OE1 GLN A 65 -10.458 -1.262 15.086 1.00 32.01 O ATOM 1035 NE2 GLN A 65 -9.273 -1.653 16.952 1.00 55.22 N ATOM 0 H GLN A 65 -8.580 3.166 13.868 1.00 61.01 H new ATOM 0 HA GLN A 65 -10.264 1.001 13.947 1.00 61.15 H new ATOM 0 HB2 GLN A 65 -8.100 2.115 15.493 1.00 2.55 H new ATOM 0 HB3 GLN A 65 -9.327 1.539 16.604 1.00 2.55 H new ATOM 0 HG2 GLN A 65 -8.187 -0.141 14.346 1.00 52.13 H new ATOM 0 HG3 GLN A 65 -7.543 -0.143 15.976 1.00 52.13 H new ATOM 0 HE21 GLN A 65 -8.451 -1.428 17.512 1.00 55.22 H new ATOM 0 HE22 GLN A 65 -9.934 -2.358 17.278 1.00 55.22 H new ATOM 1044 N PRO A 66 -11.205 3.287 16.174 1.00 32.04 N ATOM 1045 CA PRO A 66 -12.335 3.782 16.966 1.00 73.44 C ATOM 1046 C PRO A 66 -13.410 4.430 16.102 1.00 1.24 C ATOM 1047 O PRO A 66 -14.430 4.897 16.608 1.00 45.30 O ATOM 1048 CB PRO A 66 -11.693 4.820 17.890 1.00 22.33 C ATOM 1049 CG PRO A 66 -10.477 5.275 17.160 1.00 40.53 C ATOM 1050 CD PRO A 66 -9.984 4.081 16.391 1.00 20.51 C ATOM 0 HA PRO A 66 -12.845 2.977 17.496 1.00 73.44 H new ATOM 0 HB2 PRO A 66 -12.372 5.650 18.085 1.00 22.33 H new ATOM 0 HB3 PRO A 66 -11.436 4.385 18.856 1.00 22.33 H new ATOM 0 HG2 PRO A 66 -10.711 6.102 16.489 1.00 40.53 H new ATOM 0 HG3 PRO A 66 -9.717 5.633 17.854 1.00 40.53 H new ATOM 0 HD2 PRO A 66 -9.522 4.373 15.448 1.00 20.51 H new ATOM 0 HD3 PRO A 66 -9.236 3.522 16.953 1.00 20.51 H new ATOM 1058 N SER A 67 -13.176 4.454 14.793 1.00 74.14 N ATOM 1059 CA SER A 67 -14.123 5.048 13.857 1.00 43.42 C ATOM 1060 C SER A 67 -14.797 3.973 13.010 1.00 45.12 C ATOM 1061 O SER A 67 -15.804 4.229 12.347 1.00 51.14 O ATOM 1062 CB SER A 67 -13.415 6.057 12.952 1.00 51.32 C ATOM 1063 OG SER A 67 -13.054 7.224 13.673 1.00 33.22 O ATOM 0 H SER A 67 -12.338 4.069 14.357 1.00 74.14 H new ATOM 0 HA SER A 67 -14.890 5.565 14.434 1.00 43.42 H new ATOM 0 HB2 SER A 67 -12.523 5.601 12.522 1.00 51.32 H new ATOM 0 HB3 SER A 67 -14.068 6.326 12.122 1.00 51.32 H new ATOM 0 HG SER A 67 -12.601 7.853 13.073 1.00 33.22 H new ATOM 1069 N LEU A 68 -14.235 2.770 13.036 1.00 45.25 N ATOM 1070 CA LEU A 68 -14.781 1.654 12.271 1.00 55.54 C ATOM 1071 C LEU A 68 -16.211 1.346 12.701 1.00 71.33 C ATOM 1072 O LEU A 68 -17.068 1.046 11.871 1.00 14.42 O ATOM 1073 CB LEU A 68 -13.903 0.414 12.447 1.00 60.53 C ATOM 1074 CG LEU A 68 -12.587 0.406 11.669 1.00 61.02 C ATOM 1075 CD1 LEU A 68 -11.819 -0.880 11.932 1.00 70.41 C ATOM 1076 CD2 LEU A 68 -12.847 0.579 10.179 1.00 74.33 C ATOM 0 H LEU A 68 -13.402 2.542 13.578 1.00 45.25 H new ATOM 0 HA LEU A 68 -14.793 1.937 11.218 1.00 55.54 H new ATOM 0 HB2 LEU A 68 -13.676 0.302 13.507 1.00 60.53 H new ATOM 0 HB3 LEU A 68 -14.482 -0.461 12.151 1.00 60.53 H new ATOM 0 HG LEU A 68 -11.980 1.244 12.011 1.00 61.02 H new ATOM 0 HD11 LEU A 68 -10.885 -0.868 11.370 1.00 70.41 H new ATOM 0 HD12 LEU A 68 -11.600 -0.962 12.997 1.00 70.41 H new ATOM 0 HD13 LEU A 68 -12.420 -1.733 11.618 1.00 70.41 H new ATOM 0 HD21 LEU A 68 -11.899 0.571 9.641 1.00 74.33 H new ATOM 0 HD22 LEU A 68 -13.474 -0.238 9.822 1.00 74.33 H new ATOM 0 HD23 LEU A 68 -13.354 1.528 10.006 1.00 74.33 H new ATOM 1088 N GLN A 69 -16.460 1.422 14.005 1.00 0.50 N ATOM 1089 CA GLN A 69 -17.788 1.153 14.545 1.00 63.11 C ATOM 1090 C GLN A 69 -18.853 1.942 13.791 1.00 32.22 C ATOM 1091 O GLN A 69 -19.926 1.420 13.481 1.00 54.52 O ATOM 1092 CB GLN A 69 -17.836 1.502 16.033 1.00 63.41 C ATOM 1093 CG GLN A 69 -19.183 1.221 16.680 1.00 3.23 C ATOM 1094 CD GLN A 69 -19.506 -0.258 16.737 1.00 44.11 C ATOM 1095 OE1 GLN A 69 -18.769 -1.044 17.333 1.00 71.42 O ATOM 1096 NE2 GLN A 69 -20.614 -0.647 16.117 1.00 25.21 N ATOM 0 H GLN A 69 -15.761 1.667 14.706 1.00 0.50 H new ATOM 0 HA GLN A 69 -17.994 0.090 14.421 1.00 63.11 H new ATOM 0 HB2 GLN A 69 -17.066 0.935 16.556 1.00 63.41 H new ATOM 0 HB3 GLN A 69 -17.595 2.558 16.158 1.00 63.41 H new ATOM 0 HG2 GLN A 69 -19.188 1.629 17.691 1.00 3.23 H new ATOM 0 HG3 GLN A 69 -19.964 1.738 16.123 1.00 3.23 H new ATOM 0 HE21 GLN A 69 -21.196 0.038 15.635 1.00 25.21 H new ATOM 0 HE22 GLN A 69 -20.883 -1.631 16.123 1.00 25.21 H new ATOM 1105 N THR A 70 -18.552 3.203 13.496 1.00 73.30 N ATOM 1106 CA THR A 70 -19.483 4.064 12.780 1.00 2.52 C ATOM 1107 C THR A 70 -18.789 4.792 11.634 1.00 30.21 C ATOM 1108 O THR A 70 -18.908 6.009 11.496 1.00 33.03 O ATOM 1109 CB THR A 70 -20.124 5.104 13.719 1.00 74.42 C ATOM 1110 OG1 THR A 70 -20.187 4.585 15.052 1.00 64.54 O ATOM 1111 CG2 THR A 70 -21.522 5.472 13.246 1.00 30.10 C ATOM 0 H THR A 70 -17.669 3.650 13.743 1.00 73.30 H new ATOM 0 HA THR A 70 -20.264 3.418 12.378 1.00 2.52 H new ATOM 0 HB THR A 70 -19.506 6.002 13.707 1.00 74.42 H new ATOM 0 HG1 THR A 70 -20.594 5.252 15.644 1.00 64.54 H new ATOM 0 HG21 THR A 70 -21.954 6.207 13.925 1.00 30.10 H new ATOM 0 HG22 THR A 70 -21.467 5.893 12.242 1.00 30.10 H new ATOM 0 HG23 THR A 70 -22.148 4.580 13.232 1.00 30.10 H new ATOM 1119 N GLY A 71 -18.064 4.038 10.813 1.00 50.02 N ATOM 1120 CA GLY A 71 -17.362 4.629 9.689 1.00 22.23 C ATOM 1121 C GLY A 71 -17.989 4.265 8.357 1.00 73.13 C ATOM 1122 O GLY A 71 -18.438 3.136 8.164 1.00 32.32 O ATOM 0 H GLY A 71 -17.950 3.029 10.906 1.00 50.02 H new ATOM 0 HA2 GLY A 71 -17.354 5.713 9.799 1.00 22.23 H new ATOM 0 HA3 GLY A 71 -16.323 4.300 9.700 1.00 22.23 H new ATOM 1126 N SER A 72 -18.022 5.225 7.438 1.00 75.43 N ATOM 1127 CA SER A 72 -18.602 5.001 6.119 1.00 63.45 C ATOM 1128 C SER A 72 -17.817 3.942 5.351 1.00 51.24 C ATOM 1129 O SER A 72 -16.721 3.555 5.754 1.00 62.24 O ATOM 1130 CB SER A 72 -18.632 6.307 5.323 1.00 64.52 C ATOM 1131 OG SER A 72 -17.323 6.730 4.990 1.00 33.13 O ATOM 0 H SER A 72 -17.654 6.165 7.583 1.00 75.43 H new ATOM 0 HA SER A 72 -19.622 4.643 6.255 1.00 63.45 H new ATOM 0 HB2 SER A 72 -19.216 6.169 4.413 1.00 64.52 H new ATOM 0 HB3 SER A 72 -19.130 7.081 5.907 1.00 64.52 H new ATOM 0 HG SER A 72 -17.369 7.566 4.480 1.00 33.13 H new ATOM 1137 N GLU A 73 -18.386 3.478 4.244 1.00 4.45 N ATOM 1138 CA GLU A 73 -17.741 2.465 3.419 1.00 74.54 C ATOM 1139 C GLU A 73 -16.368 2.939 2.949 1.00 30.31 C ATOM 1140 O GLU A 73 -15.520 2.134 2.567 1.00 21.41 O ATOM 1141 CB GLU A 73 -18.616 2.122 2.212 1.00 12.11 C ATOM 1142 CG GLU A 73 -18.760 0.630 1.968 1.00 20.22 C ATOM 1143 CD GLU A 73 -17.897 0.140 0.822 1.00 14.14 C ATOM 1144 OE1 GLU A 73 -18.174 0.524 -0.335 1.00 73.44 O ATOM 1145 OE2 GLU A 73 -16.945 -0.626 1.079 1.00 73.24 O ATOM 0 H GLU A 73 -19.294 3.788 3.897 1.00 4.45 H new ATOM 0 HA GLU A 73 -17.609 1.570 4.027 1.00 74.54 H new ATOM 0 HB2 GLU A 73 -19.606 2.555 2.357 1.00 12.11 H new ATOM 0 HB3 GLU A 73 -18.192 2.588 1.322 1.00 12.11 H new ATOM 0 HG2 GLU A 73 -18.492 0.090 2.876 1.00 20.22 H new ATOM 0 HG3 GLU A 73 -19.804 0.400 1.756 1.00 20.22 H new ATOM 1152 N GLU A 74 -16.160 4.251 2.980 1.00 62.33 N ATOM 1153 CA GLU A 74 -14.892 4.832 2.556 1.00 2.15 C ATOM 1154 C GLU A 74 -13.755 4.385 3.470 1.00 40.40 C ATOM 1155 O GLU A 74 -12.658 4.070 3.007 1.00 34.14 O ATOM 1156 CB GLU A 74 -14.983 6.360 2.546 1.00 60.15 C ATOM 1157 CG GLU A 74 -15.169 6.950 1.159 1.00 51.20 C ATOM 1158 CD GLU A 74 -16.612 6.906 0.695 1.00 3.44 C ATOM 1159 OE1 GLU A 74 -17.506 6.735 1.550 1.00 13.20 O ATOM 1160 OE2 GLU A 74 -16.847 7.045 -0.524 1.00 12.03 O ATOM 0 H GLU A 74 -16.852 4.931 3.294 1.00 62.33 H new ATOM 0 HA GLU A 74 -14.681 4.481 1.546 1.00 2.15 H new ATOM 0 HB2 GLU A 74 -15.815 6.670 3.178 1.00 60.15 H new ATOM 0 HB3 GLU A 74 -14.076 6.772 2.988 1.00 60.15 H new ATOM 0 HG2 GLU A 74 -14.822 7.983 1.158 1.00 51.20 H new ATOM 0 HG3 GLU A 74 -14.546 6.405 0.450 1.00 51.20 H new ATOM 1167 N LEU A 75 -14.024 4.361 4.770 1.00 70.22 N ATOM 1168 CA LEU A 75 -13.025 3.953 5.752 1.00 1.15 C ATOM 1169 C LEU A 75 -12.683 2.474 5.598 1.00 11.14 C ATOM 1170 O LEU A 75 -11.532 2.072 5.772 1.00 64.02 O ATOM 1171 CB LEU A 75 -13.531 4.227 7.169 1.00 32.23 C ATOM 1172 CG LEU A 75 -12.507 4.800 8.149 1.00 22.23 C ATOM 1173 CD1 LEU A 75 -12.042 6.174 7.693 1.00 23.34 C ATOM 1174 CD2 LEU A 75 -13.093 4.870 9.552 1.00 13.34 C ATOM 0 H LEU A 75 -14.926 4.619 5.169 1.00 70.22 H new ATOM 0 HA LEU A 75 -12.121 4.536 5.578 1.00 1.15 H new ATOM 0 HB2 LEU A 75 -14.370 4.919 7.106 1.00 32.23 H new ATOM 0 HB3 LEU A 75 -13.917 3.295 7.582 1.00 32.23 H new ATOM 0 HG LEU A 75 -11.642 4.137 8.171 1.00 22.23 H new ATOM 0 HD11 LEU A 75 -11.314 6.566 8.403 1.00 23.34 H new ATOM 0 HD12 LEU A 75 -11.582 6.094 6.708 1.00 23.34 H new ATOM 0 HD13 LEU A 75 -12.897 6.849 7.641 1.00 23.34 H new ATOM 0 HD21 LEU A 75 -12.350 5.280 10.236 1.00 13.34 H new ATOM 0 HD22 LEU A 75 -13.975 5.511 9.547 1.00 13.34 H new ATOM 0 HD23 LEU A 75 -13.374 3.869 9.879 1.00 13.34 H new ATOM 1186 N ARG A 76 -13.688 1.671 5.267 1.00 43.44 N ATOM 1187 CA ARG A 76 -13.493 0.238 5.089 1.00 63.42 C ATOM 1188 C ARG A 76 -12.443 -0.040 4.018 1.00 0.04 C ATOM 1189 O ARG A 76 -11.661 -0.983 4.130 1.00 31.42 O ATOM 1190 CB ARG A 76 -14.814 -0.435 4.709 1.00 12.24 C ATOM 1191 CG ARG A 76 -15.366 -1.349 5.791 1.00 12.31 C ATOM 1192 CD ARG A 76 -16.876 -1.214 5.917 1.00 10.31 C ATOM 1193 NE ARG A 76 -17.351 -1.597 7.243 1.00 33.33 N ATOM 1194 CZ ARG A 76 -17.479 -2.858 7.642 1.00 60.30 C ATOM 1195 NH1 ARG A 76 -17.168 -3.852 6.820 1.00 54.03 N ATOM 1196 NH2 ARG A 76 -17.917 -3.127 8.865 1.00 64.10 N ATOM 0 H ARG A 76 -14.646 1.988 5.117 1.00 43.44 H new ATOM 0 HA ARG A 76 -13.141 -0.175 6.034 1.00 63.42 H new ATOM 0 HB2 ARG A 76 -15.552 0.335 4.484 1.00 12.24 H new ATOM 0 HB3 ARG A 76 -14.668 -1.013 3.797 1.00 12.24 H new ATOM 0 HG2 ARG A 76 -15.110 -2.383 5.561 1.00 12.31 H new ATOM 0 HG3 ARG A 76 -14.897 -1.109 6.745 1.00 12.31 H new ATOM 0 HD2 ARG A 76 -17.166 -0.184 5.712 1.00 10.31 H new ATOM 0 HD3 ARG A 76 -17.360 -1.837 5.165 1.00 10.31 H new ATOM 0 HE ARG A 76 -17.598 -0.856 7.899 1.00 33.33 H new ATOM 0 HH11 ARG A 76 -16.830 -3.649 5.879 1.00 54.03 H new ATOM 0 HH12 ARG A 76 -17.267 -4.819 7.129 1.00 54.03 H new ATOM 0 HH21 ARG A 76 -18.156 -2.365 9.500 1.00 64.10 H new ATOM 0 HH22 ARG A 76 -18.015 -4.095 9.170 1.00 64.10 H new ATOM 1210 N SER A 77 -12.431 0.790 2.979 1.00 1.42 N ATOM 1211 CA SER A 77 -11.479 0.633 1.886 1.00 25.34 C ATOM 1212 C SER A 77 -10.063 0.966 2.345 1.00 5.43 C ATOM 1213 O SER A 77 -9.085 0.461 1.795 1.00 35.03 O ATOM 1214 CB SER A 77 -11.871 1.527 0.708 1.00 53.21 C ATOM 1215 OG SER A 77 -12.956 0.973 -0.016 1.00 71.32 O ATOM 0 H SER A 77 -13.070 1.578 2.872 1.00 1.42 H new ATOM 0 HA SER A 77 -11.501 -0.408 1.565 1.00 25.34 H new ATOM 0 HB2 SER A 77 -12.142 2.517 1.074 1.00 53.21 H new ATOM 0 HB3 SER A 77 -11.015 1.655 0.045 1.00 53.21 H new ATOM 0 HG SER A 77 -13.188 1.565 -0.762 1.00 71.32 H new ATOM 1221 N LEU A 78 -9.963 1.822 3.356 1.00 22.21 N ATOM 1222 CA LEU A 78 -8.667 2.225 3.890 1.00 45.54 C ATOM 1223 C LEU A 78 -8.103 1.152 4.818 1.00 10.33 C ATOM 1224 O LEU A 78 -7.041 0.588 4.556 1.00 4.23 O ATOM 1225 CB LEU A 78 -8.795 3.550 4.644 1.00 55.12 C ATOM 1226 CG LEU A 78 -7.843 4.665 4.206 1.00 3.10 C ATOM 1227 CD1 LEU A 78 -7.860 4.817 2.692 1.00 63.15 C ATOM 1228 CD2 LEU A 78 -8.214 5.977 4.880 1.00 52.52 C ATOM 0 H LEU A 78 -10.763 2.250 3.822 1.00 22.21 H new ATOM 0 HA LEU A 78 -7.980 2.354 3.053 1.00 45.54 H new ATOM 0 HB2 LEU A 78 -9.818 3.910 4.536 1.00 55.12 H new ATOM 0 HB3 LEU A 78 -8.635 3.359 5.705 1.00 55.12 H new ATOM 0 HG LEU A 78 -6.832 4.396 4.512 1.00 3.10 H new ATOM 0 HD11 LEU A 78 -7.177 5.614 2.399 1.00 63.15 H new ATOM 0 HD12 LEU A 78 -7.546 3.882 2.229 1.00 63.15 H new ATOM 0 HD13 LEU A 78 -8.869 5.064 2.362 1.00 63.15 H new ATOM 0 HD21 LEU A 78 -7.527 6.759 4.557 1.00 52.52 H new ATOM 0 HD22 LEU A 78 -9.232 6.252 4.605 1.00 52.52 H new ATOM 0 HD23 LEU A 78 -8.149 5.861 5.962 1.00 52.52 H new ATOM 1240 N TYR A 79 -8.823 0.876 5.899 1.00 55.25 N ATOM 1241 CA TYR A 79 -8.394 -0.129 6.866 1.00 32.12 C ATOM 1242 C TYR A 79 -7.834 -1.359 6.159 1.00 75.43 C ATOM 1243 O TYR A 79 -6.761 -1.853 6.504 1.00 14.41 O ATOM 1244 CB TYR A 79 -9.562 -0.531 7.767 1.00 73.21 C ATOM 1245 CG TYR A 79 -9.133 -1.007 9.137 1.00 2.23 C ATOM 1246 CD1 TYR A 79 -8.980 -0.110 10.188 1.00 70.50 C ATOM 1247 CD2 TYR A 79 -8.881 -2.351 9.381 1.00 4.33 C ATOM 1248 CE1 TYR A 79 -8.589 -0.541 11.441 1.00 55.24 C ATOM 1249 CE2 TYR A 79 -8.491 -2.790 10.631 1.00 25.44 C ATOM 1250 CZ TYR A 79 -8.346 -1.882 11.658 1.00 1.52 C ATOM 1251 OH TYR A 79 -7.955 -2.315 12.905 1.00 4.44 O ATOM 0 H TYR A 79 -9.706 1.333 6.128 1.00 55.25 H new ATOM 0 HA TYR A 79 -7.605 0.306 7.479 1.00 32.12 H new ATOM 0 HB2 TYR A 79 -10.232 0.321 7.881 1.00 73.21 H new ATOM 0 HB3 TYR A 79 -10.132 -1.322 7.279 1.00 73.21 H new ATOM 0 HD1 TYR A 79 -9.170 0.940 10.022 1.00 70.50 H new ATOM 0 HD2 TYR A 79 -8.992 -3.066 8.579 1.00 4.33 H new ATOM 0 HE1 TYR A 79 -8.474 0.168 12.247 1.00 55.24 H new ATOM 0 HE2 TYR A 79 -8.301 -3.839 10.803 1.00 25.44 H new ATOM 0 HH TYR A 79 -7.826 -3.286 12.888 1.00 4.44 H new ATOM 1261 N ASN A 80 -8.571 -1.852 5.168 1.00 15.51 N ATOM 1262 CA ASN A 80 -8.150 -3.025 4.412 1.00 51.41 C ATOM 1263 C ASN A 80 -6.710 -2.873 3.930 1.00 13.25 C ATOM 1264 O ASN A 80 -5.802 -3.537 4.432 1.00 1.35 O ATOM 1265 CB ASN A 80 -9.079 -3.248 3.217 1.00 40.51 C ATOM 1266 CG ASN A 80 -10.415 -3.835 3.626 1.00 21.22 C ATOM 1267 OD1 ASN A 80 -10.905 -3.587 4.729 1.00 13.35 O ATOM 1268 ND2 ASN A 80 -11.014 -4.621 2.738 1.00 13.53 N ATOM 0 H ASN A 80 -9.463 -1.457 4.870 1.00 15.51 H new ATOM 0 HA ASN A 80 -8.204 -3.891 5.072 1.00 51.41 H new ATOM 0 HB2 ASN A 80 -9.243 -2.299 2.706 1.00 40.51 H new ATOM 0 HB3 ASN A 80 -8.595 -3.915 2.504 1.00 40.51 H new ATOM 0 HD21 ASN A 80 -11.915 -5.045 2.958 1.00 13.53 H new ATOM 0 HD22 ASN A 80 -10.573 -4.800 1.836 1.00 13.53 H new ATOM 1275 N THR A 81 -6.508 -1.994 2.952 1.00 71.25 N ATOM 1276 CA THR A 81 -5.181 -1.756 2.402 1.00 52.02 C ATOM 1277 C THR A 81 -4.183 -1.413 3.502 1.00 74.11 C ATOM 1278 O THR A 81 -3.163 -2.086 3.659 1.00 52.40 O ATOM 1279 CB THR A 81 -5.198 -0.615 1.367 1.00 25.24 C ATOM 1280 OG1 THR A 81 -6.106 -0.931 0.305 1.00 22.14 O ATOM 1281 CG2 THR A 81 -3.807 -0.378 0.798 1.00 43.23 C ATOM 0 H THR A 81 -7.248 -1.436 2.526 1.00 71.25 H new ATOM 0 HA THR A 81 -4.873 -2.679 1.910 1.00 52.02 H new ATOM 0 HB THR A 81 -5.527 0.295 1.868 1.00 25.24 H new ATOM 0 HG1 THR A 81 -6.112 -0.200 -0.348 1.00 22.14 H new ATOM 0 HG21 THR A 81 -3.845 0.432 0.070 1.00 43.23 H new ATOM 0 HG22 THR A 81 -3.125 -0.109 1.605 1.00 43.23 H new ATOM 0 HG23 THR A 81 -3.453 -1.287 0.311 1.00 43.23 H new ATOM 1289 N ILE A 82 -4.482 -0.365 4.261 1.00 1.01 N ATOM 1290 CA ILE A 82 -3.612 0.065 5.348 1.00 55.12 C ATOM 1291 C ILE A 82 -3.037 -1.132 6.098 1.00 54.31 C ATOM 1292 O ILE A 82 -1.832 -1.210 6.332 1.00 53.24 O ATOM 1293 CB ILE A 82 -4.359 0.971 6.344 1.00 32.23 C ATOM 1294 CG1 ILE A 82 -4.921 2.200 5.627 1.00 2.20 C ATOM 1295 CG2 ILE A 82 -3.434 1.389 7.478 1.00 23.14 C ATOM 1296 CD1 ILE A 82 -3.947 3.355 5.554 1.00 31.25 C ATOM 0 H ILE A 82 -5.321 0.203 4.143 1.00 1.01 H new ATOM 0 HA ILE A 82 -2.799 0.632 4.895 1.00 55.12 H new ATOM 0 HB ILE A 82 -5.191 0.410 6.769 1.00 32.23 H new ATOM 0 HG12 ILE A 82 -5.214 1.918 4.616 1.00 2.20 H new ATOM 0 HG13 ILE A 82 -5.824 2.529 6.141 1.00 2.20 H new ATOM 0 HG21 ILE A 82 -3.977 2.029 8.173 1.00 23.14 H new ATOM 0 HG22 ILE A 82 -3.078 0.502 8.003 1.00 23.14 H new ATOM 0 HG23 ILE A 82 -2.583 1.935 7.071 1.00 23.14 H new ATOM 0 HD11 ILE A 82 -4.413 4.191 5.033 1.00 31.25 H new ATOM 0 HD12 ILE A 82 -3.672 3.664 6.563 1.00 31.25 H new ATOM 0 HD13 ILE A 82 -3.053 3.043 5.014 1.00 31.25 H new ATOM 1308 N ALA A 83 -3.909 -2.064 6.470 1.00 41.54 N ATOM 1309 CA ALA A 83 -3.488 -3.259 7.192 1.00 2.33 C ATOM 1310 C ALA A 83 -2.441 -4.035 6.401 1.00 72.45 C ATOM 1311 O ALA A 83 -1.422 -4.458 6.950 1.00 10.04 O ATOM 1312 CB ALA A 83 -4.688 -4.144 7.492 1.00 5.41 C ATOM 0 H ALA A 83 -4.911 -2.015 6.283 1.00 41.54 H new ATOM 0 HA ALA A 83 -3.037 -2.946 8.134 1.00 2.33 H new ATOM 0 HB1 ALA A 83 -4.359 -5.032 8.031 1.00 5.41 H new ATOM 0 HB2 ALA A 83 -5.403 -3.593 8.103 1.00 5.41 H new ATOM 0 HB3 ALA A 83 -5.163 -4.442 6.557 1.00 5.41 H new ATOM 1318 N VAL A 84 -2.696 -4.221 5.110 1.00 43.33 N ATOM 1319 CA VAL A 84 -1.776 -4.947 4.244 1.00 54.42 C ATOM 1320 C VAL A 84 -0.411 -4.268 4.203 1.00 31.43 C ATOM 1321 O VAL A 84 0.611 -4.886 4.506 1.00 42.32 O ATOM 1322 CB VAL A 84 -2.324 -5.059 2.809 1.00 4.32 C ATOM 1323 CG1 VAL A 84 -1.498 -6.045 1.997 1.00 50.45 C ATOM 1324 CG2 VAL A 84 -3.789 -5.468 2.831 1.00 23.02 C ATOM 0 H VAL A 84 -3.534 -3.878 4.640 1.00 43.33 H new ATOM 0 HA VAL A 84 -1.670 -5.948 4.663 1.00 54.42 H new ATOM 0 HB VAL A 84 -2.250 -4.082 2.332 1.00 4.32 H new ATOM 0 HG11 VAL A 84 -1.900 -6.111 0.986 1.00 50.45 H new ATOM 0 HG12 VAL A 84 -0.463 -5.705 1.954 1.00 50.45 H new ATOM 0 HG13 VAL A 84 -1.538 -7.027 2.468 1.00 50.45 H new ATOM 0 HG21 VAL A 84 -4.161 -5.543 1.809 1.00 23.02 H new ATOM 0 HG22 VAL A 84 -3.890 -6.434 3.325 1.00 23.02 H new ATOM 0 HG23 VAL A 84 -4.367 -4.721 3.374 1.00 23.02 H new ATOM 1334 N LEU A 85 -0.400 -2.995 3.825 1.00 23.23 N ATOM 1335 CA LEU A 85 0.840 -2.231 3.744 1.00 32.23 C ATOM 1336 C LEU A 85 1.721 -2.493 4.961 1.00 74.14 C ATOM 1337 O LEU A 85 2.911 -2.784 4.829 1.00 63.53 O ATOM 1338 CB LEU A 85 0.536 -0.736 3.632 1.00 65.34 C ATOM 1339 CG LEU A 85 1.748 0.195 3.603 1.00 3.43 C ATOM 1340 CD1 LEU A 85 2.690 -0.191 2.472 1.00 43.42 C ATOM 1341 CD2 LEU A 85 1.304 1.643 3.458 1.00 2.45 C ATOM 0 H LEU A 85 -1.236 -2.470 3.570 1.00 23.23 H new ATOM 0 HA LEU A 85 1.378 -2.553 2.853 1.00 32.23 H new ATOM 0 HB2 LEU A 85 -0.046 -0.571 2.725 1.00 65.34 H new ATOM 0 HB3 LEU A 85 -0.096 -0.450 4.473 1.00 65.34 H new ATOM 0 HG LEU A 85 2.284 0.093 4.547 1.00 3.43 H new ATOM 0 HD11 LEU A 85 3.547 0.482 2.466 1.00 43.42 H new ATOM 0 HD12 LEU A 85 3.034 -1.215 2.618 1.00 43.42 H new ATOM 0 HD13 LEU A 85 2.165 -0.117 1.520 1.00 43.42 H new ATOM 0 HD21 LEU A 85 2.180 2.292 3.439 1.00 2.45 H new ATOM 0 HD22 LEU A 85 0.745 1.761 2.530 1.00 2.45 H new ATOM 0 HD23 LEU A 85 0.669 1.915 4.301 1.00 2.45 H new ATOM 1353 N TYR A 86 1.130 -2.390 6.146 1.00 54.52 N ATOM 1354 CA TYR A 86 1.861 -2.615 7.387 1.00 63.15 C ATOM 1355 C TYR A 86 2.677 -3.902 7.313 1.00 50.14 C ATOM 1356 O TYR A 86 3.849 -3.930 7.695 1.00 5.41 O ATOM 1357 CB TYR A 86 0.893 -2.680 8.569 1.00 43.23 C ATOM 1358 CG TYR A 86 1.541 -3.129 9.860 1.00 51.52 C ATOM 1359 CD1 TYR A 86 2.407 -2.293 10.553 1.00 4.11 C ATOM 1360 CD2 TYR A 86 1.286 -4.390 10.385 1.00 52.51 C ATOM 1361 CE1 TYR A 86 3.002 -2.699 11.732 1.00 31.43 C ATOM 1362 CE2 TYR A 86 1.875 -4.805 11.564 1.00 74.11 C ATOM 1363 CZ TYR A 86 2.733 -3.956 12.233 1.00 45.02 C ATOM 1364 OH TYR A 86 3.323 -4.365 13.408 1.00 0.54 O ATOM 0 H TYR A 86 0.146 -2.152 6.273 1.00 54.52 H new ATOM 0 HA TYR A 86 2.546 -1.779 7.532 1.00 63.15 H new ATOM 0 HB2 TYR A 86 0.449 -1.696 8.718 1.00 43.23 H new ATOM 0 HB3 TYR A 86 0.079 -3.363 8.324 1.00 43.23 H new ATOM 0 HD1 TYR A 86 2.619 -1.308 10.163 1.00 4.11 H new ATOM 0 HD2 TYR A 86 0.616 -5.057 9.863 1.00 52.51 H new ATOM 0 HE1 TYR A 86 3.673 -2.037 12.258 1.00 31.43 H new ATOM 0 HE2 TYR A 86 1.665 -5.788 11.960 1.00 74.11 H new ATOM 0 HH TYR A 86 3.028 -5.275 13.623 1.00 0.54 H new ATOM 1374 N CYS A 87 2.051 -4.963 6.819 1.00 60.44 N ATOM 1375 CA CYS A 87 2.718 -6.254 6.695 1.00 33.53 C ATOM 1376 C CYS A 87 3.932 -6.153 5.776 1.00 22.24 C ATOM 1377 O CYS A 87 4.967 -6.769 6.028 1.00 32.42 O ATOM 1378 CB CYS A 87 1.744 -7.305 6.159 1.00 75.32 C ATOM 1379 SG CYS A 87 0.190 -7.406 7.076 1.00 25.31 S ATOM 0 H CYS A 87 1.083 -4.955 6.498 1.00 60.44 H new ATOM 0 HA CYS A 87 3.059 -6.556 7.685 1.00 33.53 H new ATOM 0 HB2 CYS A 87 1.524 -7.082 5.115 1.00 75.32 H new ATOM 0 HB3 CYS A 87 2.230 -8.280 6.181 1.00 75.32 H new ATOM 0 HG CYS A 87 -0.431 -6.266 7.004 1.00 25.31 H new ATOM 1385 N VAL A 88 3.796 -5.373 4.709 1.00 12.04 N ATOM 1386 CA VAL A 88 4.881 -5.190 3.752 1.00 23.51 C ATOM 1387 C VAL A 88 6.142 -4.681 4.441 1.00 20.32 C ATOM 1388 O VAL A 88 7.145 -5.390 4.524 1.00 13.24 O ATOM 1389 CB VAL A 88 4.485 -4.205 2.636 1.00 23.35 C ATOM 1390 CG1 VAL A 88 5.666 -3.940 1.715 1.00 24.35 C ATOM 1391 CG2 VAL A 88 3.296 -4.739 1.852 1.00 62.01 C ATOM 0 H VAL A 88 2.945 -4.857 4.485 1.00 12.04 H new ATOM 0 HA VAL A 88 5.081 -6.166 3.310 1.00 23.51 H new ATOM 0 HB VAL A 88 4.193 -3.260 3.095 1.00 23.35 H new ATOM 0 HG11 VAL A 88 5.368 -3.242 0.933 1.00 24.35 H new ATOM 0 HG12 VAL A 88 6.487 -3.511 2.290 1.00 24.35 H new ATOM 0 HG13 VAL A 88 5.991 -4.876 1.261 1.00 24.35 H new ATOM 0 HG21 VAL A 88 3.030 -4.031 1.068 1.00 62.01 H new ATOM 0 HG22 VAL A 88 3.557 -5.697 1.402 1.00 62.01 H new ATOM 0 HG23 VAL A 88 2.448 -4.873 2.523 1.00 62.01 H new ATOM 1401 N HIS A 89 6.083 -3.449 4.935 1.00 3.24 N ATOM 1402 CA HIS A 89 7.220 -2.844 5.619 1.00 11.20 C ATOM 1403 C HIS A 89 7.700 -3.732 6.763 1.00 34.21 C ATOM 1404 O HIS A 89 8.887 -3.652 7.080 1.00 33.44 O ATOM 1405 CB HIS A 89 6.844 -1.462 6.156 1.00 0.01 C ATOM 1406 CG HIS A 89 6.473 -0.484 5.083 1.00 13.12 C ATOM 1407 ND1 HIS A 89 7.347 -0.084 4.094 1.00 43.41 N ATOM 1408 CD2 HIS A 89 5.314 0.174 4.848 1.00 22.43 C ATOM 1409 CE1 HIS A 89 6.741 0.779 3.298 1.00 23.54 C ATOM 1410 NE2 HIS A 89 5.505 0.952 3.732 1.00 60.12 N ATOM 0 H HIS A 89 5.260 -2.850 4.874 1.00 3.24 H new ATOM 0 HA HIS A 89 8.031 -2.737 4.898 1.00 11.20 H new ATOM 0 HB2 HIS A 89 6.008 -1.565 6.848 1.00 0.01 H new ATOM 0 HB3 HIS A 89 7.682 -1.062 6.727 1.00 0.01 H new ATOM 0 HD2 HIS A 89 4.407 0.101 5.430 1.00 22.43 H new ATOM 0 HE1 HIS A 89 7.181 1.261 2.438 1.00 23.54 H new ATOM 0 HE2 HIS A 89 4.807 1.563 3.308 1.00 60.12 H new ATOM 1419 N GLN A 90 6.842 -4.546 7.368 1.00 70.05 N ATOM 1420 CA GLN A 90 7.256 -5.413 8.466 1.00 12.55 C ATOM 1421 C GLN A 90 7.923 -6.679 7.939 1.00 13.54 C ATOM 1422 O GLN A 90 8.234 -7.593 8.703 1.00 25.43 O ATOM 1423 CB GLN A 90 6.053 -5.780 9.335 1.00 64.32 C ATOM 1424 CG GLN A 90 6.427 -6.201 10.747 1.00 25.41 C ATOM 1425 CD GLN A 90 7.289 -5.175 11.453 1.00 12.43 C ATOM 1426 OE1 GLN A 90 8.511 -5.163 11.302 1.00 73.41 O ATOM 1427 NE2 GLN A 90 6.657 -4.303 12.229 1.00 3.01 N ATOM 0 H GLN A 90 5.856 -4.624 7.117 1.00 70.05 H new ATOM 0 HA GLN A 90 7.980 -4.869 9.072 1.00 12.55 H new ATOM 0 HB2 GLN A 90 5.379 -4.925 9.386 1.00 64.32 H new ATOM 0 HB3 GLN A 90 5.504 -6.591 8.857 1.00 64.32 H new ATOM 0 HG2 GLN A 90 5.518 -6.366 11.325 1.00 25.41 H new ATOM 0 HG3 GLN A 90 6.958 -7.152 10.710 1.00 25.41 H new ATOM 0 HE21 GLN A 90 5.643 -4.348 12.326 1.00 3.01 H new ATOM 0 HE22 GLN A 90 7.186 -3.588 12.728 1.00 3.01 H new ATOM 1436 N ARG A 91 8.140 -6.726 6.628 1.00 10.41 N ATOM 1437 CA ARG A 91 8.769 -7.881 5.999 1.00 15.44 C ATOM 1438 C ARG A 91 7.775 -9.029 5.854 1.00 60.02 C ATOM 1439 O ARG A 91 8.084 -10.059 5.254 1.00 13.25 O ATOM 1440 CB ARG A 91 9.979 -8.338 6.816 1.00 3.32 C ATOM 1441 CG ARG A 91 11.132 -8.845 5.964 1.00 61.33 C ATOM 1442 CD ARG A 91 11.142 -10.365 5.892 1.00 1.43 C ATOM 1443 NE ARG A 91 11.577 -10.846 4.583 1.00 61.32 N ATOM 1444 CZ ARG A 91 11.819 -12.124 4.314 1.00 14.04 C ATOM 1445 NH1 ARG A 91 11.669 -13.044 5.257 1.00 41.35 N ATOM 1446 NH2 ARG A 91 12.212 -12.485 3.098 1.00 71.15 N ATOM 0 H ARG A 91 7.889 -5.978 5.982 1.00 10.41 H new ATOM 0 HA ARG A 91 9.103 -7.585 5.004 1.00 15.44 H new ATOM 0 HB2 ARG A 91 10.329 -7.507 7.428 1.00 3.32 H new ATOM 0 HB3 ARG A 91 9.668 -9.128 7.499 1.00 3.32 H new ATOM 0 HG2 ARG A 91 11.052 -8.432 4.958 1.00 61.33 H new ATOM 0 HG3 ARG A 91 12.076 -8.493 6.380 1.00 61.33 H new ATOM 0 HD2 ARG A 91 11.804 -10.760 6.662 1.00 1.43 H new ATOM 0 HD3 ARG A 91 10.143 -10.745 6.105 1.00 1.43 H new ATOM 0 HE ARG A 91 11.702 -10.164 3.835 1.00 61.32 H new ATOM 0 HH11 ARG A 91 11.367 -12.771 6.192 1.00 41.35 H new ATOM 0 HH12 ARG A 91 11.856 -14.025 5.047 1.00 41.35 H new ATOM 0 HH21 ARG A 91 12.328 -11.781 2.370 1.00 71.15 H new ATOM 0 HH22 ARG A 91 12.398 -13.467 2.892 1.00 71.15 H new ATOM 1460 N ILE A 92 6.582 -8.846 6.410 1.00 72.10 N ATOM 1461 CA ILE A 92 5.544 -9.866 6.343 1.00 41.11 C ATOM 1462 C ILE A 92 4.958 -9.962 4.938 1.00 74.44 C ATOM 1463 O ILE A 92 4.621 -8.950 4.325 1.00 22.32 O ATOM 1464 CB ILE A 92 4.408 -9.579 7.343 1.00 31.44 C ATOM 1465 CG1 ILE A 92 4.958 -9.515 8.768 1.00 40.12 C ATOM 1466 CG2 ILE A 92 3.326 -10.644 7.234 1.00 70.22 C ATOM 1467 CD1 ILE A 92 4.052 -8.781 9.733 1.00 14.33 C ATOM 0 H ILE A 92 6.311 -8.000 6.912 1.00 72.10 H new ATOM 0 HA ILE A 92 6.015 -10.814 6.603 1.00 41.11 H new ATOM 0 HB ILE A 92 3.966 -8.613 7.101 1.00 31.44 H new ATOM 0 HG12 ILE A 92 5.118 -10.530 9.133 1.00 40.12 H new ATOM 0 HG13 ILE A 92 5.931 -9.025 8.752 1.00 40.12 H new ATOM 0 HG21 ILE A 92 2.530 -10.428 7.947 1.00 70.22 H new ATOM 0 HG22 ILE A 92 2.918 -10.646 6.223 1.00 70.22 H new ATOM 0 HG23 ILE A 92 3.754 -11.622 7.454 1.00 70.22 H new ATOM 0 HD11 ILE A 92 4.505 -8.775 10.724 1.00 14.33 H new ATOM 0 HD12 ILE A 92 3.911 -7.755 9.392 1.00 14.33 H new ATOM 0 HD13 ILE A 92 3.086 -9.284 9.779 1.00 14.33 H new ATOM 1479 N ASP A 93 4.838 -11.187 4.436 1.00 34.23 N ATOM 1480 CA ASP A 93 4.291 -11.416 3.104 1.00 71.32 C ATOM 1481 C ASP A 93 2.941 -12.122 3.187 1.00 64.41 C ATOM 1482 O ASP A 93 2.685 -13.084 2.461 1.00 35.00 O ATOM 1483 CB ASP A 93 5.264 -12.247 2.265 1.00 62.11 C ATOM 1484 CG ASP A 93 4.991 -12.130 0.779 1.00 11.31 C ATOM 1485 OD1 ASP A 93 4.096 -12.845 0.281 1.00 32.41 O ATOM 1486 OD2 ASP A 93 5.672 -11.322 0.113 1.00 74.41 O ATOM 0 H ASP A 93 5.112 -12.035 4.931 1.00 34.23 H new ATOM 0 HA ASP A 93 4.147 -10.447 2.625 1.00 71.32 H new ATOM 0 HB2 ASP A 93 6.284 -11.924 2.471 1.00 62.11 H new ATOM 0 HB3 ASP A 93 5.195 -13.293 2.563 1.00 62.11 H new ATOM 1491 N VAL A 94 2.080 -11.638 4.076 1.00 23.43 N ATOM 1492 CA VAL A 94 0.755 -12.222 4.254 1.00 23.22 C ATOM 1493 C VAL A 94 0.285 -12.918 2.981 1.00 15.42 C ATOM 1494 O VAL A 94 0.347 -12.349 1.891 1.00 14.32 O ATOM 1495 CB VAL A 94 -0.280 -11.155 4.654 1.00 64.22 C ATOM 1496 CG1 VAL A 94 -0.097 -10.752 6.109 1.00 61.54 C ATOM 1497 CG2 VAL A 94 -0.176 -9.943 3.741 1.00 2.13 C ATOM 0 H VAL A 94 2.276 -10.843 4.684 1.00 23.43 H new ATOM 0 HA VAL A 94 0.838 -12.955 5.056 1.00 23.22 H new ATOM 0 HB VAL A 94 -1.277 -11.582 4.542 1.00 64.22 H new ATOM 0 HG11 VAL A 94 -0.837 -9.997 6.373 1.00 61.54 H new ATOM 0 HG12 VAL A 94 -0.226 -11.626 6.748 1.00 61.54 H new ATOM 0 HG13 VAL A 94 0.904 -10.344 6.250 1.00 61.54 H new ATOM 0 HG21 VAL A 94 -0.915 -9.199 4.038 1.00 2.13 H new ATOM 0 HG22 VAL A 94 0.823 -9.514 3.819 1.00 2.13 H new ATOM 0 HG23 VAL A 94 -0.361 -10.247 2.711 1.00 2.13 H new ATOM 1507 N LYS A 95 -0.185 -14.151 3.126 1.00 71.14 N ATOM 1508 CA LYS A 95 -0.668 -14.925 1.989 1.00 35.41 C ATOM 1509 C LYS A 95 -1.877 -14.253 1.346 1.00 41.24 C ATOM 1510 O LYS A 95 -2.254 -14.577 0.220 1.00 61.23 O ATOM 1511 CB LYS A 95 -1.034 -16.344 2.430 1.00 64.43 C ATOM 1512 CG LYS A 95 -0.320 -17.430 1.644 1.00 55.23 C ATOM 1513 CD LYS A 95 -0.921 -18.799 1.910 1.00 41.14 C ATOM 1514 CE LYS A 95 -0.110 -19.575 2.938 1.00 43.32 C ATOM 1515 NZ LYS A 95 0.800 -20.562 2.296 1.00 14.13 N ATOM 0 H LYS A 95 -0.242 -14.637 4.021 1.00 71.14 H new ATOM 0 HA LYS A 95 0.132 -14.976 1.250 1.00 35.41 H new ATOM 0 HB2 LYS A 95 -0.798 -16.459 3.488 1.00 64.43 H new ATOM 0 HB3 LYS A 95 -2.110 -16.481 2.327 1.00 64.43 H new ATOM 0 HG2 LYS A 95 -0.378 -17.207 0.579 1.00 55.23 H new ATOM 0 HG3 LYS A 95 0.737 -17.438 1.911 1.00 55.23 H new ATOM 0 HD2 LYS A 95 -1.945 -18.685 2.264 1.00 41.14 H new ATOM 0 HD3 LYS A 95 -0.967 -19.364 0.979 1.00 41.14 H new ATOM 0 HE2 LYS A 95 0.475 -18.879 3.539 1.00 43.32 H new ATOM 0 HE3 LYS A 95 -0.786 -20.093 3.618 1.00 43.32 H new ATOM 0 HZ1 LYS A 95 1.334 -21.070 3.030 1.00 14.13 H new ATOM 0 HZ2 LYS A 95 0.240 -21.242 1.743 1.00 14.13 H new ATOM 0 HZ3 LYS A 95 1.462 -20.065 1.667 1.00 14.13 H new ATOM 1529 N ASP A 96 -2.479 -13.315 2.069 1.00 24.45 N ATOM 1530 CA ASP A 96 -3.644 -12.595 1.568 1.00 24.15 C ATOM 1531 C ASP A 96 -4.024 -11.455 2.508 1.00 45.15 C ATOM 1532 O ASP A 96 -3.379 -11.241 3.535 1.00 30.20 O ATOM 1533 CB ASP A 96 -4.827 -13.549 1.399 1.00 63.12 C ATOM 1534 CG ASP A 96 -4.928 -14.552 2.532 1.00 3.40 C ATOM 1535 OD1 ASP A 96 -4.875 -14.128 3.707 1.00 31.24 O ATOM 1536 OD2 ASP A 96 -5.061 -15.759 2.245 1.00 33.33 O ATOM 0 H ASP A 96 -2.180 -13.036 3.003 1.00 24.45 H new ATOM 0 HA ASP A 96 -3.388 -12.171 0.597 1.00 24.15 H new ATOM 0 HB2 ASP A 96 -5.750 -12.972 1.345 1.00 63.12 H new ATOM 0 HB3 ASP A 96 -4.728 -14.082 0.453 1.00 63.12 H new ATOM 1541 N THR A 97 -5.076 -10.725 2.150 1.00 1.30 N ATOM 1542 CA THR A 97 -5.540 -9.606 2.960 1.00 44.41 C ATOM 1543 C THR A 97 -6.096 -10.087 4.296 1.00 14.12 C ATOM 1544 O THR A 97 -6.223 -9.310 5.243 1.00 23.51 O ATOM 1545 CB THR A 97 -6.626 -8.795 2.228 1.00 64.14 C ATOM 1546 OG1 THR A 97 -6.130 -8.338 0.966 1.00 15.30 O ATOM 1547 CG2 THR A 97 -7.070 -7.605 3.065 1.00 52.34 C ATOM 0 H THR A 97 -5.622 -10.889 1.304 1.00 1.30 H new ATOM 0 HA THR A 97 -4.676 -8.966 3.138 1.00 44.41 H new ATOM 0 HB THR A 97 -7.485 -9.446 2.066 1.00 64.14 H new ATOM 0 HG1 THR A 97 -5.634 -9.061 0.528 1.00 15.30 H new ATOM 0 HG21 THR A 97 -7.837 -7.048 2.527 1.00 52.34 H new ATOM 0 HG22 THR A 97 -7.476 -7.958 4.013 1.00 52.34 H new ATOM 0 HG23 THR A 97 -6.216 -6.955 3.255 1.00 52.34 H new ATOM 1555 N LYS A 98 -6.422 -11.373 4.367 1.00 3.01 N ATOM 1556 CA LYS A 98 -6.962 -11.959 5.588 1.00 23.52 C ATOM 1557 C LYS A 98 -5.881 -12.083 6.656 1.00 33.53 C ATOM 1558 O LYS A 98 -6.065 -11.647 7.792 1.00 53.31 O ATOM 1559 CB LYS A 98 -7.564 -13.335 5.294 1.00 22.03 C ATOM 1560 CG LYS A 98 -8.336 -13.923 6.462 1.00 43.22 C ATOM 1561 CD LYS A 98 -7.827 -15.308 6.827 1.00 64.13 C ATOM 1562 CE LYS A 98 -7.874 -15.542 8.330 1.00 1.51 C ATOM 1563 NZ LYS A 98 -7.631 -16.969 8.677 1.00 4.35 N ATOM 0 H LYS A 98 -6.322 -12.030 3.593 1.00 3.01 H new ATOM 0 HA LYS A 98 -7.744 -11.299 5.963 1.00 23.52 H new ATOM 0 HB2 LYS A 98 -8.228 -13.255 4.434 1.00 22.03 H new ATOM 0 HB3 LYS A 98 -6.764 -14.021 5.016 1.00 22.03 H new ATOM 0 HG2 LYS A 98 -8.249 -13.263 7.325 1.00 43.22 H new ATOM 0 HG3 LYS A 98 -9.395 -13.979 6.208 1.00 43.22 H new ATOM 0 HD2 LYS A 98 -8.429 -16.063 6.321 1.00 64.13 H new ATOM 0 HD3 LYS A 98 -6.803 -15.426 6.471 1.00 64.13 H new ATOM 0 HE2 LYS A 98 -7.126 -14.917 8.818 1.00 1.51 H new ATOM 0 HE3 LYS A 98 -8.846 -15.235 8.715 1.00 1.51 H new ATOM 0 HZ1 LYS A 98 -7.671 -17.087 9.710 1.00 4.35 H new ATOM 0 HZ2 LYS A 98 -8.359 -17.563 8.232 1.00 4.35 H new ATOM 0 HZ3 LYS A 98 -6.692 -17.255 8.332 1.00 4.35 H new ATOM 1577 N GLU A 99 -4.752 -12.679 6.283 1.00 51.12 N ATOM 1578 CA GLU A 99 -3.641 -12.858 7.211 1.00 33.13 C ATOM 1579 C GLU A 99 -3.185 -11.517 7.779 1.00 32.44 C ATOM 1580 O GLU A 99 -2.584 -11.459 8.852 1.00 3.25 O ATOM 1581 CB GLU A 99 -2.471 -13.553 6.511 1.00 63.30 C ATOM 1582 CG GLU A 99 -2.585 -15.068 6.494 1.00 35.13 C ATOM 1583 CD GLU A 99 -1.235 -15.753 6.394 1.00 24.20 C ATOM 1584 OE1 GLU A 99 -0.218 -15.042 6.258 1.00 52.13 O ATOM 1585 OE2 GLU A 99 -1.197 -17.000 6.451 1.00 22.22 O ATOM 0 H GLU A 99 -4.583 -13.045 5.346 1.00 51.12 H new ATOM 0 HA GLU A 99 -3.985 -13.483 8.035 1.00 33.13 H new ATOM 0 HB2 GLU A 99 -2.405 -13.191 5.485 1.00 63.30 H new ATOM 0 HB3 GLU A 99 -1.543 -13.272 7.008 1.00 63.30 H new ATOM 0 HG2 GLU A 99 -3.091 -15.401 7.400 1.00 35.13 H new ATOM 0 HG3 GLU A 99 -3.206 -15.373 5.652 1.00 35.13 H new ATOM 1592 N ALA A 100 -3.474 -10.444 7.052 1.00 33.44 N ATOM 1593 CA ALA A 100 -3.095 -9.104 7.483 1.00 3.04 C ATOM 1594 C ALA A 100 -3.975 -8.629 8.634 1.00 72.22 C ATOM 1595 O ALA A 100 -3.503 -7.960 9.554 1.00 52.11 O ATOM 1596 CB ALA A 100 -3.179 -8.131 6.316 1.00 74.20 C ATOM 0 H ALA A 100 -3.970 -10.476 6.161 1.00 33.44 H new ATOM 0 HA ALA A 100 -2.065 -9.141 7.838 1.00 3.04 H new ATOM 0 HB1 ALA A 100 -2.893 -7.134 6.652 1.00 74.20 H new ATOM 0 HB2 ALA A 100 -2.504 -8.454 5.524 1.00 74.20 H new ATOM 0 HB3 ALA A 100 -4.200 -8.107 5.935 1.00 74.20 H new ATOM 1602 N LEU A 101 -5.255 -8.978 8.577 1.00 20.11 N ATOM 1603 CA LEU A 101 -6.203 -8.587 9.616 1.00 15.52 C ATOM 1604 C LEU A 101 -6.284 -9.649 10.706 1.00 61.44 C ATOM 1605 O LEU A 101 -6.792 -9.394 11.798 1.00 60.15 O ATOM 1606 CB LEU A 101 -7.587 -8.354 9.009 1.00 44.32 C ATOM 1607 CG LEU A 101 -8.247 -7.013 9.336 1.00 32.22 C ATOM 1608 CD1 LEU A 101 -8.429 -6.861 10.837 1.00 40.53 C ATOM 1609 CD2 LEU A 101 -7.423 -5.863 8.777 1.00 55.40 C ATOM 0 H LEU A 101 -5.661 -9.531 7.822 1.00 20.11 H new ATOM 0 HA LEU A 101 -5.850 -7.659 10.066 1.00 15.52 H new ATOM 0 HB2 LEU A 101 -7.506 -8.442 7.926 1.00 44.32 H new ATOM 0 HB3 LEU A 101 -8.248 -9.153 9.345 1.00 44.32 H new ATOM 0 HG LEU A 101 -9.231 -6.989 8.867 1.00 32.22 H new ATOM 0 HD11 LEU A 101 -8.900 -5.901 11.051 1.00 40.53 H new ATOM 0 HD12 LEU A 101 -9.061 -7.667 11.210 1.00 40.53 H new ATOM 0 HD13 LEU A 101 -7.457 -6.906 11.328 1.00 40.53 H new ATOM 0 HD21 LEU A 101 -7.907 -4.917 9.019 1.00 55.40 H new ATOM 0 HD22 LEU A 101 -6.426 -5.883 9.216 1.00 55.40 H new ATOM 0 HD23 LEU A 101 -7.345 -5.964 7.695 1.00 55.40 H new ATOM 1621 N ASP A 102 -5.780 -10.840 10.404 1.00 62.23 N ATOM 1622 CA ASP A 102 -5.793 -11.942 11.360 1.00 55.32 C ATOM 1623 C ASP A 102 -4.484 -11.997 12.142 1.00 63.41 C ATOM 1624 O ASP A 102 -4.291 -12.869 12.989 1.00 65.54 O ATOM 1625 CB ASP A 102 -6.027 -13.269 10.638 1.00 54.50 C ATOM 1626 CG ASP A 102 -6.260 -14.418 11.600 1.00 10.24 C ATOM 1627 OD1 ASP A 102 -7.287 -14.397 12.309 1.00 44.11 O ATOM 1628 OD2 ASP A 102 -5.415 -15.336 11.642 1.00 61.55 O ATOM 0 H ASP A 102 -5.357 -11.068 9.504 1.00 62.23 H new ATOM 0 HA ASP A 102 -6.609 -11.772 12.063 1.00 55.32 H new ATOM 0 HB2 ASP A 102 -6.888 -13.173 9.976 1.00 54.50 H new ATOM 0 HB3 ASP A 102 -5.166 -13.494 10.009 1.00 54.50 H new ATOM 1633 N LYS A 103 -3.587 -11.063 11.851 1.00 14.53 N ATOM 1634 CA LYS A 103 -2.295 -11.004 12.526 1.00 23.12 C ATOM 1635 C LYS A 103 -2.116 -9.669 13.242 1.00 35.23 C ATOM 1636 O LYS A 103 -1.366 -9.571 14.214 1.00 64.53 O ATOM 1637 CB LYS A 103 -1.160 -11.212 11.520 1.00 3.13 C ATOM 1638 CG LYS A 103 0.204 -11.373 12.168 1.00 12.43 C ATOM 1639 CD LYS A 103 0.870 -12.672 11.749 1.00 71.25 C ATOM 1640 CE LYS A 103 0.615 -13.780 12.761 1.00 51.30 C ATOM 1641 NZ LYS A 103 1.793 -14.006 13.643 1.00 52.33 N ATOM 0 H LYS A 103 -3.730 -10.335 11.151 1.00 14.53 H new ATOM 0 HA LYS A 103 -2.264 -11.802 13.268 1.00 23.12 H new ATOM 0 HB2 LYS A 103 -1.375 -12.096 10.920 1.00 3.13 H new ATOM 0 HB3 LYS A 103 -1.131 -10.363 10.837 1.00 3.13 H new ATOM 0 HG2 LYS A 103 0.840 -10.532 11.893 1.00 12.43 H new ATOM 0 HG3 LYS A 103 0.098 -11.351 13.253 1.00 12.43 H new ATOM 0 HD2 LYS A 103 0.494 -12.976 10.772 1.00 71.25 H new ATOM 0 HD3 LYS A 103 1.943 -12.514 11.643 1.00 71.25 H new ATOM 0 HE2 LYS A 103 -0.251 -13.523 13.371 1.00 51.30 H new ATOM 0 HE3 LYS A 103 0.372 -14.703 12.235 1.00 51.30 H new ATOM 0 HZ1 LYS A 103 1.580 -14.768 14.318 1.00 52.33 H new ATOM 0 HZ2 LYS A 103 2.614 -14.276 13.064 1.00 52.33 H new ATOM 0 HZ3 LYS A 103 2.009 -13.132 14.164 1.00 52.33 H new