USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 57 CYS SG : rot 62:sc= -0.191 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -0.132 K(o=-0.32,f=-5.3!) USER MOD Set 2.1: A 54 SER OG : rot -130:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.32) USER MOD Set 3.1: A 29 TYR OH : rot 70:sc= 0.679 USER MOD Set 3.2: A 97 THR OG1 : rot -130:sc= 1.11 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0075 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= -0.65 K(o=-0.65,f=-1.6) 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= -3.04! C(o=-3!,f=-9.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0111 K(o=-0.011,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot -25:sc= 0.61 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 67 SER OG : rot 93:sc= 0.505 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 80 ASN : amide:sc= -0.866 K(o=-0.87,f=-0.3) USER MOD Single : A 81 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.711 USER MOD Single : A 87 CYS SG : rot -53:sc= 0.683 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 VAL A 7 8.823 5.019 -7.296 1.00 14.00 N ATOM 64 CA VAL A 7 8.347 5.667 -8.512 1.00 52.52 C ATOM 65 C VAL A 7 9.113 6.958 -8.782 1.00 35.00 C ATOM 66 O VAL A 7 9.653 7.156 -9.871 1.00 2.33 O ATOM 67 CB VAL A 7 6.842 5.983 -8.429 1.00 11.13 C ATOM 68 CG1 VAL A 7 6.331 6.508 -9.762 1.00 3.32 C ATOM 69 CG2 VAL A 7 6.062 4.750 -7.998 1.00 44.31 C ATOM 0 HA VAL A 7 8.518 4.968 -9.331 1.00 52.52 H new ATOM 0 HB VAL A 7 6.693 6.760 -7.679 1.00 11.13 H new ATOM 0 HG11 VAL A 7 5.266 6.725 -9.683 1.00 3.32 H new ATOM 0 HG12 VAL A 7 6.869 7.419 -10.025 1.00 3.32 H new ATOM 0 HG13 VAL A 7 6.492 5.756 -10.535 1.00 3.32 H new ATOM 0 HG21 VAL A 7 5.000 4.991 -7.945 1.00 44.31 H new ATOM 0 HG22 VAL A 7 6.216 3.950 -8.722 1.00 44.31 H new ATOM 0 HG23 VAL A 7 6.410 4.424 -7.018 1.00 44.31 H new ATOM 79 N LEU A 8 9.154 7.833 -7.783 1.00 44.33 N ATOM 80 CA LEU A 8 9.855 9.107 -7.912 1.00 21.32 C ATOM 81 C LEU A 8 11.091 9.140 -7.018 1.00 54.55 C ATOM 82 O LEU A 8 11.098 8.567 -5.930 1.00 74.02 O ATOM 83 CB LEU A 8 8.920 10.264 -7.553 1.00 72.21 C ATOM 84 CG LEU A 8 7.458 10.098 -7.968 1.00 40.52 C ATOM 85 CD1 LEU A 8 6.635 11.293 -7.513 1.00 22.55 C ATOM 86 CD2 LEU A 8 7.349 9.918 -9.476 1.00 34.25 C ATOM 0 H LEU A 8 8.711 7.685 -6.876 1.00 44.33 H new ATOM 0 HA LEU A 8 10.175 9.215 -8.948 1.00 21.32 H new ATOM 0 HB2 LEU A 8 8.956 10.413 -6.474 1.00 72.21 H new ATOM 0 HB3 LEU A 8 9.307 11.173 -8.013 1.00 72.21 H new ATOM 0 HG LEU A 8 7.063 9.205 -7.485 1.00 40.52 H new ATOM 0 HD11 LEU A 8 5.597 11.157 -7.817 1.00 22.55 H new ATOM 0 HD12 LEU A 8 6.687 11.378 -6.428 1.00 22.55 H new ATOM 0 HD13 LEU A 8 7.030 12.201 -7.968 1.00 22.55 H new ATOM 0 HD21 LEU A 8 6.301 9.801 -9.754 1.00 34.25 H new ATOM 0 HD22 LEU A 8 7.762 10.793 -9.978 1.00 34.25 H new ATOM 0 HD23 LEU A 8 7.905 9.031 -9.778 1.00 34.25 H new ATOM 98 N SER A 9 12.134 9.820 -7.485 1.00 55.14 N ATOM 99 CA SER A 9 13.376 9.928 -6.730 1.00 72.44 C ATOM 100 C SER A 9 13.325 11.109 -5.767 1.00 14.14 C ATOM 101 O SER A 9 12.324 11.822 -5.693 1.00 42.13 O ATOM 102 CB SER A 9 14.564 10.083 -7.682 1.00 30.24 C ATOM 103 OG SER A 9 14.910 11.447 -7.847 1.00 53.22 O ATOM 0 H SER A 9 12.143 10.304 -8.383 1.00 55.14 H new ATOM 0 HA SER A 9 13.501 9.014 -6.150 1.00 72.44 H new ATOM 0 HB2 SER A 9 15.420 9.532 -7.293 1.00 30.24 H new ATOM 0 HB3 SER A 9 14.318 9.647 -8.650 1.00 30.24 H new ATOM 0 HG SER A 9 15.673 11.519 -8.458 1.00 53.22 H new ATOM 109 N GLY A 10 14.412 11.310 -5.027 1.00 12.42 N ATOM 110 CA GLY A 10 14.471 12.405 -4.077 1.00 11.22 C ATOM 111 C GLY A 10 14.180 13.747 -4.720 1.00 41.30 C ATOM 112 O GLY A 10 13.485 14.583 -4.143 1.00 44.20 O ATOM 0 H GLY A 10 15.252 10.734 -5.069 1.00 12.42 H new ATOM 0 HA2 GLY A 10 13.754 12.226 -3.276 1.00 11.22 H new ATOM 0 HA3 GLY A 10 15.460 12.432 -3.619 1.00 11.22 H new ATOM 116 N GLY A 11 14.716 13.955 -5.919 1.00 51.52 N ATOM 117 CA GLY A 11 14.501 15.207 -6.620 1.00 42.34 C ATOM 118 C GLY A 11 13.108 15.311 -7.208 1.00 42.13 C ATOM 119 O GLY A 11 12.454 16.347 -7.092 1.00 43.42 O ATOM 0 H GLY A 11 15.295 13.279 -6.417 1.00 51.52 H new ATOM 0 HA2 GLY A 11 14.665 16.037 -5.933 1.00 42.34 H new ATOM 0 HA3 GLY A 11 15.237 15.304 -7.418 1.00 42.34 H new ATOM 123 N GLU A 12 12.653 14.235 -7.843 1.00 0.00 N ATOM 124 CA GLU A 12 11.329 14.211 -8.453 1.00 50.00 C ATOM 125 C GLU A 12 10.239 14.333 -7.392 1.00 14.40 C ATOM 126 O GLU A 12 9.245 15.034 -7.586 1.00 34.30 O ATOM 127 CB GLU A 12 11.135 12.922 -9.253 1.00 73.11 C ATOM 128 CG GLU A 12 12.315 12.575 -10.145 1.00 20.03 C ATOM 129 CD GLU A 12 12.083 11.315 -10.957 1.00 21.33 C ATOM 130 OE1 GLU A 12 12.156 10.213 -10.373 1.00 73.13 O ATOM 131 OE2 GLU A 12 11.829 11.431 -12.173 1.00 71.33 O ATOM 0 H GLU A 12 13.182 13.369 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 12 11.252 15.064 -9.128 1.00 50.00 H new ATOM 0 HB2 GLU A 12 10.959 12.098 -8.561 1.00 73.11 H new ATOM 0 HB3 GLU A 12 10.241 13.018 -9.869 1.00 73.11 H new ATOM 0 HG2 GLU A 12 12.512 13.407 -10.821 1.00 20.03 H new ATOM 0 HG3 GLU A 12 13.205 12.447 -9.530 1.00 20.03 H new ATOM 138 N LEU A 13 10.433 13.648 -6.271 1.00 61.22 N ATOM 139 CA LEU A 13 9.467 13.679 -5.178 1.00 73.32 C ATOM 140 C LEU A 13 9.102 15.114 -4.814 1.00 31.22 C ATOM 141 O LEU A 13 7.936 15.426 -4.570 1.00 53.12 O ATOM 142 CB LEU A 13 10.029 12.956 -3.953 1.00 64.11 C ATOM 143 CG LEU A 13 9.007 12.512 -2.907 1.00 70.33 C ATOM 144 CD1 LEU A 13 9.640 11.544 -1.919 1.00 11.30 C ATOM 145 CD2 LEU A 13 8.429 13.718 -2.181 1.00 31.23 C ATOM 0 H LEU A 13 11.250 13.064 -6.095 1.00 61.22 H new ATOM 0 HA LEU A 13 8.563 13.168 -5.510 1.00 73.32 H new ATOM 0 HB2 LEU A 13 10.575 12.076 -4.294 1.00 64.11 H new ATOM 0 HB3 LEU A 13 10.752 13.612 -3.469 1.00 64.11 H new ATOM 0 HG LEU A 13 8.193 11.997 -3.417 1.00 70.33 H new ATOM 0 HD11 LEU A 13 8.897 11.239 -1.182 1.00 11.30 H new ATOM 0 HD12 LEU A 13 10.004 10.666 -2.452 1.00 11.30 H new ATOM 0 HD13 LEU A 13 10.473 12.033 -1.414 1.00 11.30 H new ATOM 0 HD21 LEU A 13 7.703 13.383 -1.440 1.00 31.23 H new ATOM 0 HD22 LEU A 13 9.232 14.262 -1.683 1.00 31.23 H new ATOM 0 HD23 LEU A 13 7.938 14.374 -2.899 1.00 31.23 H new ATOM 157 N ASP A 14 10.106 15.983 -4.781 1.00 55.41 N ATOM 158 CA ASP A 14 9.890 17.387 -4.450 1.00 31.33 C ATOM 159 C ASP A 14 8.783 17.985 -5.311 1.00 72.30 C ATOM 160 O ASP A 14 7.826 18.566 -4.798 1.00 4.51 O ATOM 161 CB ASP A 14 11.184 18.182 -4.637 1.00 30.40 C ATOM 162 CG ASP A 14 11.166 19.500 -3.889 1.00 64.31 C ATOM 163 OD1 ASP A 14 10.629 20.485 -4.436 1.00 75.14 O ATOM 164 OD2 ASP A 14 11.694 19.548 -2.758 1.00 14.32 O ATOM 0 H ASP A 14 11.077 15.741 -4.979 1.00 55.41 H new ATOM 0 HA ASP A 14 9.584 17.445 -3.405 1.00 31.33 H new ATOM 0 HB2 ASP A 14 12.028 17.584 -4.293 1.00 30.40 H new ATOM 0 HB3 ASP A 14 11.340 18.372 -5.699 1.00 30.40 H new ATOM 169 N LYS A 15 8.918 17.840 -6.625 1.00 31.41 N ATOM 170 CA LYS A 15 7.929 18.365 -7.559 1.00 63.32 C ATOM 171 C LYS A 15 6.543 17.805 -7.256 1.00 10.24 C ATOM 172 O LYS A 15 5.570 18.553 -7.160 1.00 41.34 O ATOM 173 CB LYS A 15 8.325 18.022 -8.998 1.00 52.10 C ATOM 174 CG LYS A 15 8.908 19.197 -9.764 1.00 71.43 C ATOM 175 CD LYS A 15 8.167 19.434 -11.070 1.00 35.44 C ATOM 176 CE LYS A 15 9.036 20.169 -12.078 1.00 52.25 C ATOM 177 NZ LYS A 15 8.304 21.290 -12.730 1.00 35.32 N ATOM 0 H LYS A 15 9.703 17.363 -7.067 1.00 31.41 H new ATOM 0 HA LYS A 15 7.897 19.449 -7.445 1.00 63.32 H new ATOM 0 HB2 LYS A 15 9.054 17.212 -8.982 1.00 52.10 H new ATOM 0 HB3 LYS A 15 7.448 17.652 -9.529 1.00 52.10 H new ATOM 0 HG2 LYS A 15 8.858 20.095 -9.148 1.00 71.43 H new ATOM 0 HG3 LYS A 15 9.962 19.011 -9.971 1.00 71.43 H new ATOM 0 HD2 LYS A 15 7.851 18.479 -11.489 1.00 35.44 H new ATOM 0 HD3 LYS A 15 7.263 20.012 -10.877 1.00 35.44 H new ATOM 0 HE2 LYS A 15 9.923 20.557 -11.578 1.00 52.25 H new ATOM 0 HE3 LYS A 15 9.380 19.469 -12.839 1.00 52.25 H new ATOM 0 HZ1 LYS A 15 8.931 21.765 -13.410 1.00 35.32 H new ATOM 0 HZ2 LYS A 15 7.471 20.917 -13.229 1.00 35.32 H new ATOM 0 HZ3 LYS A 15 7.997 21.972 -12.007 1.00 35.32 H new ATOM 191 N TRP A 16 6.462 16.489 -7.104 1.00 10.14 N ATOM 192 CA TRP A 16 5.194 15.830 -6.809 1.00 13.33 C ATOM 193 C TRP A 16 4.483 16.514 -5.646 1.00 34.31 C ATOM 194 O TRP A 16 3.348 16.969 -5.783 1.00 22.11 O ATOM 195 CB TRP A 16 5.425 14.354 -6.485 1.00 42.33 C ATOM 196 CG TRP A 16 4.171 13.624 -6.111 1.00 61.03 C ATOM 197 CD1 TRP A 16 3.757 13.296 -4.852 1.00 20.41 C ATOM 198 CD2 TRP A 16 3.167 13.131 -7.007 1.00 65.52 C ATOM 199 NE1 TRP A 16 2.558 12.627 -4.910 1.00 22.01 N ATOM 200 CE2 TRP A 16 2.175 12.514 -6.221 1.00 31.24 C ATOM 201 CE3 TRP A 16 3.011 13.151 -8.395 1.00 20.13 C ATOM 202 CZ2 TRP A 16 1.044 11.924 -6.779 1.00 34.12 C ATOM 203 CZ3 TRP A 16 1.888 12.564 -8.948 1.00 4.14 C ATOM 204 CH2 TRP A 16 0.916 11.958 -8.140 1.00 53.44 C ATOM 0 H TRP A 16 7.259 15.856 -7.180 1.00 10.14 H new ATOM 0 HA TRP A 16 4.560 15.905 -7.693 1.00 13.33 H new ATOM 0 HB2 TRP A 16 5.877 13.866 -7.349 1.00 42.33 H new ATOM 0 HB3 TRP A 16 6.140 14.277 -5.666 1.00 42.33 H new ATOM 0 HD1 TRP A 16 4.293 13.528 -3.944 1.00 20.41 H new ATOM 0 HE1 TRP A 16 2.038 12.272 -4.108 1.00 22.01 H new ATOM 0 HE3 TRP A 16 3.754 13.617 -9.025 1.00 20.13 H new ATOM 0 HZ2 TRP A 16 0.294 11.456 -6.159 1.00 34.12 H new ATOM 0 HZ3 TRP A 16 1.758 12.573 -10.020 1.00 4.14 H new ATOM 0 HH2 TRP A 16 0.049 11.509 -8.601 1.00 53.44 H new ATOM 215 N GLU A 17 5.159 16.582 -4.503 1.00 60.33 N ATOM 216 CA GLU A 17 4.590 17.210 -3.316 1.00 51.33 C ATOM 217 C GLU A 17 4.231 18.668 -3.591 1.00 64.45 C ATOM 218 O GLU A 17 3.415 19.262 -2.886 1.00 65.01 O ATOM 219 CB GLU A 17 5.573 17.126 -2.147 1.00 11.21 C ATOM 220 CG GLU A 17 5.374 15.900 -1.271 1.00 45.33 C ATOM 221 CD GLU A 17 5.675 16.172 0.190 1.00 44.50 C ATOM 222 OE1 GLU A 17 6.761 16.714 0.482 1.00 2.32 O ATOM 223 OE2 GLU A 17 4.823 15.844 1.041 1.00 32.53 O ATOM 0 H GLU A 17 6.100 16.210 -4.374 1.00 60.33 H new ATOM 0 HA GLU A 17 3.678 16.673 -3.053 1.00 51.33 H new ATOM 0 HB2 GLU A 17 6.590 17.121 -2.538 1.00 11.21 H new ATOM 0 HB3 GLU A 17 5.472 18.021 -1.533 1.00 11.21 H new ATOM 0 HG2 GLU A 17 4.346 15.552 -1.368 1.00 45.33 H new ATOM 0 HG3 GLU A 17 6.017 15.095 -1.627 1.00 45.33 H new ATOM 230 N LYS A 18 4.847 19.238 -4.621 1.00 43.01 N ATOM 231 CA LYS A 18 4.595 20.625 -4.991 1.00 0.44 C ATOM 232 C LYS A 18 3.208 20.780 -5.606 1.00 13.30 C ATOM 233 O LYS A 18 2.308 21.356 -4.993 1.00 41.10 O ATOM 234 CB LYS A 18 5.659 21.114 -5.976 1.00 53.14 C ATOM 235 CG LYS A 18 6.037 22.573 -5.789 1.00 51.21 C ATOM 236 CD LYS A 18 7.540 22.745 -5.643 1.00 23.14 C ATOM 237 CE LYS A 18 8.221 22.870 -6.997 1.00 41.12 C ATOM 238 NZ LYS A 18 9.645 23.286 -6.864 1.00 62.42 N ATOM 0 H LYS A 18 5.525 18.760 -5.215 1.00 43.01 H new ATOM 0 HA LYS A 18 4.642 21.230 -4.086 1.00 0.44 H new ATOM 0 HB2 LYS A 18 6.552 20.499 -5.867 1.00 53.14 H new ATOM 0 HB3 LYS A 18 5.294 20.969 -6.993 1.00 53.14 H new ATOM 0 HG2 LYS A 18 5.685 23.153 -6.642 1.00 51.21 H new ATOM 0 HG3 LYS A 18 5.537 22.969 -4.905 1.00 51.21 H new ATOM 0 HD2 LYS A 18 7.749 23.633 -5.046 1.00 23.14 H new ATOM 0 HD3 LYS A 18 7.954 21.893 -5.104 1.00 23.14 H new ATOM 0 HE2 LYS A 18 8.169 21.915 -7.520 1.00 41.12 H new ATOM 0 HE3 LYS A 18 7.685 23.597 -7.607 1.00 41.12 H new ATOM 0 HZ1 LYS A 18 10.075 23.360 -7.808 1.00 62.42 H new ATOM 0 HZ2 LYS A 18 9.694 24.209 -6.388 1.00 62.42 H new ATOM 0 HZ3 LYS A 18 10.162 22.579 -6.303 1.00 62.42 H new ATOM 252 N ILE A 19 3.041 20.262 -6.818 1.00 62.34 N ATOM 253 CA ILE A 19 1.763 20.341 -7.514 1.00 20.42 C ATOM 254 C ILE A 19 0.605 20.021 -6.574 1.00 11.05 C ATOM 255 O ILE A 19 0.743 19.213 -5.656 1.00 3.02 O ATOM 256 CB ILE A 19 1.715 19.378 -8.715 1.00 3.53 C ATOM 257 CG1 ILE A 19 2.969 19.540 -9.575 1.00 24.41 C ATOM 258 CG2 ILE A 19 0.463 19.627 -9.542 1.00 53.14 C ATOM 259 CD1 ILE A 19 3.870 18.323 -9.565 1.00 55.05 C ATOM 0 H ILE A 19 3.776 19.783 -7.339 1.00 62.34 H new ATOM 0 HA ILE A 19 1.663 21.364 -7.875 1.00 20.42 H new ATOM 0 HB ILE A 19 1.683 18.354 -8.342 1.00 3.53 H new ATOM 0 HG12 ILE A 19 2.671 19.753 -10.602 1.00 24.41 H new ATOM 0 HG13 ILE A 19 3.533 20.403 -9.221 1.00 24.41 H new ATOM 0 HG21 ILE A 19 0.443 18.939 -10.387 1.00 53.14 H new ATOM 0 HG22 ILE A 19 -0.420 19.467 -8.923 1.00 53.14 H new ATOM 0 HG23 ILE A 19 0.468 20.653 -9.909 1.00 53.14 H new ATOM 0 HD11 ILE A 19 4.739 18.509 -10.196 1.00 55.05 H new ATOM 0 HD12 ILE A 19 4.198 18.121 -8.545 1.00 55.05 H new ATOM 0 HD13 ILE A 19 3.322 17.462 -9.947 1.00 55.05 H new ATOM 271 N ARG A 20 -0.536 20.659 -6.811 1.00 21.21 N ATOM 272 CA ARG A 20 -1.719 20.443 -5.987 1.00 24.13 C ATOM 273 C ARG A 20 -2.734 19.564 -6.712 1.00 4.33 C ATOM 274 O ARG A 20 -2.642 19.362 -7.924 1.00 14.10 O ATOM 275 CB ARG A 20 -2.360 21.781 -5.615 1.00 24.11 C ATOM 276 CG ARG A 20 -1.563 22.574 -4.592 1.00 14.42 C ATOM 277 CD ARG A 20 -0.936 23.812 -5.214 1.00 31.04 C ATOM 278 NE ARG A 20 0.020 24.451 -4.314 1.00 25.40 N ATOM 279 CZ ARG A 20 0.756 25.505 -4.651 1.00 34.31 C ATOM 280 NH1 ARG A 20 0.643 26.036 -5.860 1.00 5.43 N ATOM 281 NH2 ARG A 20 1.605 26.030 -3.777 1.00 12.13 N ATOM 0 H ARG A 20 -0.666 21.330 -7.568 1.00 21.21 H new ATOM 0 HA ARG A 20 -1.407 19.932 -5.076 1.00 24.13 H new ATOM 0 HB2 ARG A 20 -2.477 22.382 -6.517 1.00 24.11 H new ATOM 0 HB3 ARG A 20 -3.360 21.598 -5.222 1.00 24.11 H new ATOM 0 HG2 ARG A 20 -2.215 22.869 -3.770 1.00 14.42 H new ATOM 0 HG3 ARG A 20 -0.782 21.943 -4.169 1.00 14.42 H new ATOM 0 HD2 ARG A 20 -0.433 23.537 -6.141 1.00 31.04 H new ATOM 0 HD3 ARG A 20 -1.720 24.523 -5.475 1.00 31.04 H new ATOM 0 HE ARG A 20 0.129 24.067 -3.375 1.00 25.40 H new ATOM 0 HH11 ARG A 20 -0.010 25.636 -6.534 1.00 5.43 H new ATOM 0 HH12 ARG A 20 1.209 26.845 -6.117 1.00 5.43 H new ATOM 0 HH21 ARG A 20 1.693 25.625 -2.845 1.00 12.13 H new ATOM 0 HH22 ARG A 20 2.169 26.839 -4.037 1.00 12.13 H new ATOM 295 N LEU A 21 -3.700 19.043 -5.963 1.00 0.30 N ATOM 296 CA LEU A 21 -4.732 18.185 -6.535 1.00 14.24 C ATOM 297 C LEU A 21 -5.803 19.015 -7.234 1.00 15.10 C ATOM 298 O LEU A 21 -6.273 18.658 -8.315 1.00 22.52 O ATOM 299 CB LEU A 21 -5.370 17.326 -5.442 1.00 33.31 C ATOM 300 CG LEU A 21 -4.407 16.487 -4.600 1.00 75.23 C ATOM 301 CD1 LEU A 21 -4.820 16.509 -3.137 1.00 31.55 C ATOM 302 CD2 LEU A 21 -4.351 15.058 -5.119 1.00 70.22 C ATOM 0 H LEU A 21 -3.790 19.200 -4.959 1.00 0.30 H new ATOM 0 HA LEU A 21 -4.263 17.535 -7.273 1.00 14.24 H new ATOM 0 HB2 LEU A 21 -5.930 17.980 -4.774 1.00 33.31 H new ATOM 0 HB3 LEU A 21 -6.091 16.655 -5.909 1.00 33.31 H new ATOM 0 HG LEU A 21 -3.410 16.921 -4.682 1.00 75.23 H new ATOM 0 HD11 LEU A 21 -4.124 15.907 -2.553 1.00 31.55 H new ATOM 0 HD12 LEU A 21 -4.807 17.536 -2.771 1.00 31.55 H new ATOM 0 HD13 LEU A 21 -5.825 16.100 -3.037 1.00 31.55 H new ATOM 0 HD21 LEU A 21 -3.661 14.476 -4.508 1.00 70.22 H new ATOM 0 HD22 LEU A 21 -5.345 14.613 -5.068 1.00 70.22 H new ATOM 0 HD23 LEU A 21 -4.007 15.060 -6.153 1.00 70.22 H new ATOM 314 N ARG A 22 -6.185 20.126 -6.612 1.00 42.01 N ATOM 315 CA ARG A 22 -7.200 21.008 -7.176 1.00 31.43 C ATOM 316 C ARG A 22 -6.597 22.356 -7.560 1.00 14.12 C ATOM 317 O ARG A 22 -5.542 22.754 -7.068 1.00 4.23 O ATOM 318 CB ARG A 22 -8.340 21.212 -6.177 1.00 13.40 C ATOM 319 CG ARG A 22 -7.880 21.264 -4.729 1.00 63.53 C ATOM 320 CD ARG A 22 -7.914 19.887 -4.085 1.00 22.14 C ATOM 321 NE ARG A 22 -9.113 19.692 -3.275 1.00 70.21 N ATOM 322 CZ ARG A 22 -9.443 18.531 -2.718 1.00 43.12 C ATOM 323 NH1 ARG A 22 -8.668 17.468 -2.884 1.00 5.32 N ATOM 324 NH2 ARG A 22 -10.551 18.432 -1.995 1.00 74.14 N ATOM 0 H ARG A 22 -5.807 20.437 -5.717 1.00 42.01 H new ATOM 0 HA ARG A 22 -7.595 20.537 -8.076 1.00 31.43 H new ATOM 0 HB2 ARG A 22 -8.861 22.139 -6.417 1.00 13.40 H new ATOM 0 HB3 ARG A 22 -9.061 20.403 -6.291 1.00 13.40 H new ATOM 0 HG2 ARG A 22 -6.867 21.664 -4.682 1.00 63.53 H new ATOM 0 HG3 ARG A 22 -8.519 21.946 -4.167 1.00 63.53 H new ATOM 0 HD2 ARG A 22 -7.872 19.123 -4.861 1.00 22.14 H new ATOM 0 HD3 ARG A 22 -7.030 19.756 -3.461 1.00 22.14 H new ATOM 0 HE ARG A 22 -9.731 20.490 -3.129 1.00 70.21 H new ATOM 0 HH11 ARG A 22 -7.816 17.540 -3.440 1.00 5.32 H new ATOM 0 HH12 ARG A 22 -8.924 16.578 -2.455 1.00 5.32 H new ATOM 0 HH21 ARG A 22 -11.150 19.247 -1.866 1.00 74.14 H new ATOM 0 HH22 ARG A 22 -10.803 17.541 -1.568 1.00 74.14 H new ATOM 338 N PRO A 23 -7.282 23.076 -8.460 1.00 74.33 N ATOM 339 CA PRO A 23 -6.833 24.390 -8.930 1.00 12.32 C ATOM 340 C PRO A 23 -6.940 25.460 -7.849 1.00 12.24 C ATOM 341 O PRO A 23 -5.989 26.198 -7.597 1.00 22.14 O ATOM 342 CB PRO A 23 -7.790 24.700 -10.085 1.00 4.15 C ATOM 343 CG PRO A 23 -9.018 23.913 -9.781 1.00 43.40 C ATOM 344 CD PRO A 23 -8.548 22.663 -9.090 1.00 30.35 C ATOM 0 HA PRO A 23 -5.782 24.382 -9.219 1.00 12.32 H new ATOM 0 HB2 PRO A 23 -8.008 25.766 -10.143 1.00 4.15 H new ATOM 0 HB3 PRO A 23 -7.361 24.409 -11.044 1.00 4.15 H new ATOM 0 HG2 PRO A 23 -9.697 24.480 -9.144 1.00 43.40 H new ATOM 0 HG3 PRO A 23 -9.564 23.673 -10.694 1.00 43.40 H new ATOM 0 HD2 PRO A 23 -9.270 22.317 -8.351 1.00 30.35 H new ATOM 0 HD3 PRO A 23 -8.398 21.846 -9.796 1.00 30.35 H new ATOM 352 N GLY A 24 -8.104 25.537 -7.212 1.00 13.13 N ATOM 353 CA GLY A 24 -8.313 26.520 -6.164 1.00 22.33 C ATOM 354 C GLY A 24 -8.289 25.905 -4.779 1.00 21.53 C ATOM 355 O GLY A 24 -9.157 26.184 -3.953 1.00 33.42 O ATOM 0 H GLY A 24 -8.906 24.937 -7.402 1.00 13.13 H new ATOM 0 HA2 GLY A 24 -7.542 27.287 -6.231 1.00 22.33 H new ATOM 0 HA3 GLY A 24 -9.271 27.016 -6.321 1.00 22.33 H new ATOM 359 N GLY A 25 -7.293 25.061 -4.524 1.00 43.54 N ATOM 360 CA GLY A 25 -7.179 24.417 -3.229 1.00 22.14 C ATOM 361 C GLY A 25 -5.860 24.717 -2.545 1.00 75.33 C ATOM 362 O GLY A 25 -4.970 25.328 -3.138 1.00 31.23 O ATOM 0 H GLY A 25 -6.563 24.812 -5.192 1.00 43.54 H new ATOM 0 HA2 GLY A 25 -7.999 24.746 -2.590 1.00 22.14 H new ATOM 0 HA3 GLY A 25 -7.284 23.339 -3.353 1.00 22.14 H new ATOM 366 N LYS A 26 -5.733 24.289 -1.294 1.00 32.21 N ATOM 367 CA LYS A 26 -4.513 24.515 -0.528 1.00 20.42 C ATOM 368 C LYS A 26 -3.822 23.194 -0.203 1.00 50.12 C ATOM 369 O LYS A 26 -2.823 23.165 0.516 1.00 32.13 O ATOM 370 CB LYS A 26 -4.832 25.267 0.767 1.00 61.41 C ATOM 371 CG LYS A 26 -3.936 26.470 1.007 1.00 51.30 C ATOM 372 CD LYS A 26 -4.455 27.332 2.145 1.00 10.35 C ATOM 373 CE LYS A 26 -4.102 28.797 1.941 1.00 44.22 C ATOM 374 NZ LYS A 26 -2.898 29.192 2.722 1.00 44.33 N ATOM 0 H LYS A 26 -6.460 23.783 -0.788 1.00 32.21 H new ATOM 0 HA LYS A 26 -3.839 25.118 -1.136 1.00 20.42 H new ATOM 0 HB2 LYS A 26 -5.870 25.597 0.739 1.00 61.41 H new ATOM 0 HB3 LYS A 26 -4.738 24.581 1.609 1.00 61.41 H new ATOM 0 HG2 LYS A 26 -2.925 26.132 1.237 1.00 51.30 H new ATOM 0 HG3 LYS A 26 -3.874 27.066 0.097 1.00 51.30 H new ATOM 0 HD2 LYS A 26 -5.537 27.225 2.220 1.00 10.35 H new ATOM 0 HD3 LYS A 26 -4.034 26.983 3.088 1.00 10.35 H new ATOM 0 HE2 LYS A 26 -3.925 28.984 0.882 1.00 44.22 H new ATOM 0 HE3 LYS A 26 -4.947 29.419 2.237 1.00 44.22 H new ATOM 0 HZ1 LYS A 26 -2.691 30.197 2.556 1.00 44.33 H new ATOM 0 HZ2 LYS A 26 -3.076 29.038 3.735 1.00 44.33 H new ATOM 0 HZ3 LYS A 26 -2.085 28.617 2.422 1.00 44.33 H new ATOM 388 N LYS A 27 -4.358 22.104 -0.740 1.00 70.42 N ATOM 389 CA LYS A 27 -3.791 20.780 -0.511 1.00 34.23 C ATOM 390 C LYS A 27 -2.849 20.388 -1.644 1.00 21.40 C ATOM 391 O LYS A 27 -3.140 20.628 -2.815 1.00 61.24 O ATOM 392 CB LYS A 27 -4.907 19.741 -0.378 1.00 71.23 C ATOM 393 CG LYS A 27 -5.701 19.861 0.911 1.00 4.32 C ATOM 394 CD LYS A 27 -7.095 19.274 0.765 1.00 2.40 C ATOM 395 CE LYS A 27 -7.643 18.801 2.102 1.00 33.24 C ATOM 396 NZ LYS A 27 -8.896 19.516 2.472 1.00 55.51 N ATOM 0 H LYS A 27 -5.185 22.111 -1.337 1.00 70.42 H new ATOM 0 HA LYS A 27 -3.220 20.812 0.417 1.00 34.23 H new ATOM 0 HB2 LYS A 27 -5.587 19.841 -1.224 1.00 71.23 H new ATOM 0 HB3 LYS A 27 -4.471 18.743 -0.435 1.00 71.23 H new ATOM 0 HG2 LYS A 27 -5.172 19.348 1.714 1.00 4.32 H new ATOM 0 HG3 LYS A 27 -5.775 20.910 1.197 1.00 4.32 H new ATOM 0 HD2 LYS A 27 -7.764 20.023 0.341 1.00 2.40 H new ATOM 0 HD3 LYS A 27 -7.068 18.438 0.066 1.00 2.40 H new ATOM 0 HE2 LYS A 27 -7.836 17.729 2.057 1.00 33.24 H new ATOM 0 HE3 LYS A 27 -6.893 18.957 2.878 1.00 33.24 H new ATOM 0 HZ1 LYS A 27 -9.238 19.165 3.389 1.00 55.51 H new ATOM 0 HZ2 LYS A 27 -8.706 20.536 2.540 1.00 55.51 H new ATOM 0 HZ3 LYS A 27 -9.620 19.346 1.745 1.00 55.51 H new ATOM 410 N GLN A 28 -1.721 19.782 -1.287 1.00 23.11 N ATOM 411 CA GLN A 28 -0.737 19.356 -2.274 1.00 54.21 C ATOM 412 C GLN A 28 -0.789 17.845 -2.478 1.00 42.32 C ATOM 413 O GLN A 28 -1.557 17.146 -1.818 1.00 33.21 O ATOM 414 CB GLN A 28 0.668 19.777 -1.840 1.00 25.31 C ATOM 415 CG GLN A 28 0.694 21.059 -1.025 1.00 25.44 C ATOM 416 CD GLN A 28 0.541 20.807 0.463 1.00 0.55 C ATOM 417 OE1 GLN A 28 1.077 19.837 0.999 1.00 14.32 O ATOM 418 NE2 GLN A 28 -0.194 21.683 1.139 1.00 41.25 N ATOM 0 H GLN A 28 -1.466 19.575 -0.321 1.00 23.11 H new ATOM 0 HA GLN A 28 -0.977 19.840 -3.221 1.00 54.21 H new ATOM 0 HB2 GLN A 28 1.114 18.974 -1.253 1.00 25.31 H new ATOM 0 HB3 GLN A 28 1.289 19.907 -2.726 1.00 25.31 H new ATOM 0 HG2 GLN A 28 1.633 21.582 -1.207 1.00 25.44 H new ATOM 0 HG3 GLN A 28 -0.107 21.716 -1.363 1.00 25.44 H new ATOM 0 HE21 GLN A 28 -0.620 22.473 0.654 1.00 41.25 H new ATOM 0 HE22 GLN A 28 -0.332 21.566 2.143 1.00 41.25 H new ATOM 427 N TYR A 29 0.033 17.349 -3.396 1.00 23.13 N ATOM 428 CA TYR A 29 0.080 15.921 -3.689 1.00 12.32 C ATOM 429 C TYR A 29 0.913 15.179 -2.649 1.00 64.13 C ATOM 430 O TYR A 29 1.886 15.715 -2.117 1.00 13.13 O ATOM 431 CB TYR A 29 0.656 15.684 -5.085 1.00 33.00 C ATOM 432 CG TYR A 29 -0.396 15.414 -6.137 1.00 33.23 C ATOM 433 CD1 TYR A 29 -1.089 14.210 -6.161 1.00 31.30 C ATOM 434 CD2 TYR A 29 -0.696 16.361 -7.108 1.00 10.43 C ATOM 435 CE1 TYR A 29 -2.051 13.958 -7.120 1.00 1.00 C ATOM 436 CE2 TYR A 29 -1.657 16.118 -8.070 1.00 12.12 C ATOM 437 CZ TYR A 29 -2.331 14.916 -8.072 1.00 74.44 C ATOM 438 OH TYR A 29 -3.289 14.669 -9.030 1.00 13.44 O ATOM 0 H TYR A 29 0.676 17.915 -3.950 1.00 23.13 H new ATOM 0 HA TYR A 29 -0.939 15.535 -3.654 1.00 12.32 H new ATOM 0 HB2 TYR A 29 1.238 16.556 -5.381 1.00 33.00 H new ATOM 0 HB3 TYR A 29 1.344 14.840 -5.046 1.00 33.00 H new ATOM 0 HD1 TYR A 29 -0.872 13.458 -5.417 1.00 31.30 H new ATOM 0 HD2 TYR A 29 -0.169 17.304 -7.111 1.00 10.43 H new ATOM 0 HE1 TYR A 29 -2.581 13.017 -7.124 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -1.879 16.866 -8.817 1.00 12.12 H new ATOM 0 HH TYR A 29 -4.175 14.663 -8.612 1.00 13.44 H new ATOM 448 N LYS A 30 0.526 13.940 -2.365 1.00 71.22 N ATOM 449 CA LYS A 30 1.236 13.120 -1.391 1.00 31.00 C ATOM 450 C LYS A 30 1.349 11.677 -1.873 1.00 13.10 C ATOM 451 O LYS A 30 0.666 11.271 -2.815 1.00 12.35 O ATOM 452 CB LYS A 30 0.521 13.163 -0.039 1.00 32.11 C ATOM 453 CG LYS A 30 1.416 13.592 1.110 1.00 44.50 C ATOM 454 CD LYS A 30 0.900 13.076 2.443 1.00 41.52 C ATOM 455 CE LYS A 30 1.163 14.070 3.564 1.00 41.30 C ATOM 456 NZ LYS A 30 0.914 13.472 4.905 1.00 73.31 N ATOM 0 H LYS A 30 -0.277 13.481 -2.796 1.00 71.22 H new ATOM 0 HA LYS A 30 2.241 13.526 -1.276 1.00 31.00 H new ATOM 0 HB2 LYS A 30 -0.324 13.849 -0.106 1.00 32.11 H new ATOM 0 HB3 LYS A 30 0.113 12.176 0.178 1.00 32.11 H new ATOM 0 HG2 LYS A 30 2.427 13.221 0.942 1.00 44.50 H new ATOM 0 HG3 LYS A 30 1.476 14.680 1.139 1.00 44.50 H new ATOM 0 HD2 LYS A 30 -0.170 12.883 2.370 1.00 41.52 H new ATOM 0 HD3 LYS A 30 1.380 12.126 2.677 1.00 41.52 H new ATOM 0 HE2 LYS A 30 2.195 14.417 3.507 1.00 41.30 H new ATOM 0 HE3 LYS A 30 0.525 14.944 3.432 1.00 41.30 H new ATOM 0 HZ1 LYS A 30 1.104 14.181 5.642 1.00 73.31 H new ATOM 0 HZ2 LYS A 30 -0.077 13.164 4.969 1.00 73.31 H new ATOM 0 HZ3 LYS A 30 1.541 12.653 5.042 1.00 73.31 H new ATOM 470 N LEU A 31 2.212 10.907 -1.222 1.00 62.43 N ATOM 471 CA LEU A 31 2.413 9.507 -1.583 1.00 41.12 C ATOM 472 C LEU A 31 1.085 8.758 -1.617 1.00 23.32 C ATOM 473 O LEU A 31 0.859 7.912 -2.483 1.00 33.11 O ATOM 474 CB LEU A 31 3.366 8.836 -0.593 1.00 13.21 C ATOM 475 CG LEU A 31 4.785 8.572 -1.100 1.00 71.10 C ATOM 476 CD1 LEU A 31 4.771 7.522 -2.200 1.00 24.22 C ATOM 477 CD2 LEU A 31 5.421 9.861 -1.599 1.00 30.01 C ATOM 0 H LEU A 31 2.785 11.227 -0.441 1.00 62.43 H new ATOM 0 HA LEU A 31 2.853 9.474 -2.580 1.00 41.12 H new ATOM 0 HB2 LEU A 31 3.430 9.460 0.298 1.00 13.21 H new ATOM 0 HB3 LEU A 31 2.929 7.886 -0.286 1.00 13.21 H new ATOM 0 HG LEU A 31 5.382 8.193 -0.271 1.00 71.10 H new ATOM 0 HD11 LEU A 31 5.789 7.347 -2.549 1.00 24.22 H new ATOM 0 HD12 LEU A 31 4.356 6.592 -1.810 1.00 24.22 H new ATOM 0 HD13 LEU A 31 4.158 7.873 -3.030 1.00 24.22 H new ATOM 0 HD21 LEU A 31 6.430 9.654 -1.956 1.00 30.01 H new ATOM 0 HD22 LEU A 31 4.824 10.269 -2.415 1.00 30.01 H new ATOM 0 HD23 LEU A 31 5.465 10.584 -0.785 1.00 30.01 H new ATOM 489 N LYS A 32 0.209 9.076 -0.670 1.00 70.04 N ATOM 490 CA LYS A 32 -1.099 8.435 -0.593 1.00 40.11 C ATOM 491 C LYS A 32 -1.760 8.380 -1.966 1.00 33.31 C ATOM 492 O LYS A 32 -2.494 7.440 -2.275 1.00 34.43 O ATOM 493 CB LYS A 32 -2.000 9.189 0.388 1.00 35.14 C ATOM 494 CG LYS A 32 -1.542 9.091 1.834 1.00 52.13 C ATOM 495 CD LYS A 32 -2.135 10.203 2.683 1.00 33.32 C ATOM 496 CE LYS A 32 -3.543 9.860 3.146 1.00 62.14 C ATOM 497 NZ LYS A 32 -3.708 10.058 4.612 1.00 50.41 N ATOM 0 H LYS A 32 0.381 9.773 0.054 1.00 70.04 H new ATOM 0 HA LYS A 32 -0.956 7.415 -0.237 1.00 40.11 H new ATOM 0 HB2 LYS A 32 -2.039 10.239 0.099 1.00 35.14 H new ATOM 0 HB3 LYS A 32 -3.015 8.799 0.310 1.00 35.14 H new ATOM 0 HG2 LYS A 32 -1.833 8.124 2.244 1.00 52.13 H new ATOM 0 HG3 LYS A 32 -0.454 9.140 1.876 1.00 52.13 H new ATOM 0 HD2 LYS A 32 -1.498 10.379 3.550 1.00 33.32 H new ATOM 0 HD3 LYS A 32 -2.155 11.129 2.109 1.00 33.32 H new ATOM 0 HE2 LYS A 32 -4.262 10.481 2.612 1.00 62.14 H new ATOM 0 HE3 LYS A 32 -3.767 8.824 2.892 1.00 62.14 H new ATOM 0 HZ1 LYS A 32 -4.680 9.814 4.888 1.00 50.41 H new ATOM 0 HZ2 LYS A 32 -3.039 9.446 5.122 1.00 50.41 H new ATOM 0 HZ3 LYS A 32 -3.520 11.052 4.851 1.00 50.41 H new ATOM 511 N HIS A 33 -1.495 9.391 -2.787 1.00 53.24 N ATOM 512 CA HIS A 33 -2.063 9.456 -4.130 1.00 11.13 C ATOM 513 C HIS A 33 -1.327 8.511 -5.076 1.00 30.23 C ATOM 514 O HIS A 33 -1.995 7.943 -5.940 1.00 54.44 O ATOM 515 CB HIS A 33 -1.997 10.886 -4.666 1.00 42.43 C ATOM 516 CG HIS A 33 -2.691 11.885 -3.792 1.00 53.23 C ATOM 517 ND1 HIS A 33 -2.045 12.957 -3.214 1.00 25.52 N ATOM 518 CD2 HIS A 33 -3.984 11.972 -3.401 1.00 4.50 C ATOM 519 CE1 HIS A 33 -2.909 13.659 -2.503 1.00 72.25 C ATOM 520 NE2 HIS A 33 -4.094 13.083 -2.601 1.00 64.31 N ATOM 0 H HIS A 33 -0.891 10.177 -2.546 1.00 53.24 H new ATOM 0 HA HIS A 33 -3.106 9.146 -4.073 1.00 11.13 H new ATOM 0 HB2 HIS A 33 -0.952 11.176 -4.777 1.00 42.43 H new ATOM 0 HB3 HIS A 33 -2.443 10.914 -5.660 1.00 42.43 H new ATOM 0 HD2 HIS A 33 -4.781 11.294 -3.668 1.00 4.50 H new ATOM 0 HE1 HIS A 33 -2.685 14.552 -1.938 1.00 72.25 H new ATOM 0 HE2 HIS A 33 -4.951 13.410 -2.155 1.00 64.31 H new ATOM 528 N ILE A 34 -0.017 8.334 -4.940 1.00 72.14 N ATOM 529 CA ILE A 34 0.727 7.441 -5.820 1.00 25.41 C ATOM 530 C ILE A 34 0.496 5.981 -5.445 1.00 74.31 C ATOM 531 O ILE A 34 0.032 5.185 -6.262 1.00 21.21 O ATOM 532 CB ILE A 34 2.238 7.738 -5.776 1.00 12.11 C ATOM 533 CG1 ILE A 34 2.490 9.238 -5.939 1.00 41.41 C ATOM 534 CG2 ILE A 34 2.963 6.953 -6.858 1.00 65.53 C ATOM 535 CD1 ILE A 34 3.951 9.619 -5.842 1.00 13.21 C ATOM 0 H ILE A 34 0.550 8.797 -4.230 1.00 72.14 H new ATOM 0 HA ILE A 34 0.360 7.616 -6.831 1.00 25.41 H new ATOM 0 HB ILE A 34 2.627 7.427 -4.806 1.00 12.11 H new ATOM 0 HG12 ILE A 34 2.102 9.561 -6.905 1.00 41.41 H new ATOM 0 HG13 ILE A 34 1.931 9.777 -5.175 1.00 41.41 H new ATOM 0 HG21 ILE A 34 4.030 7.173 -6.814 1.00 65.53 H new ATOM 0 HG22 ILE A 34 2.806 5.886 -6.700 1.00 65.53 H new ATOM 0 HG23 ILE A 34 2.574 7.236 -7.836 1.00 65.53 H new ATOM 0 HD11 ILE A 34 4.055 10.697 -5.967 1.00 13.21 H new ATOM 0 HD12 ILE A 34 4.339 9.328 -4.866 1.00 13.21 H new ATOM 0 HD13 ILE A 34 4.513 9.107 -6.623 1.00 13.21 H new ATOM 547 N VAL A 35 0.821 5.637 -4.203 1.00 20.42 N ATOM 548 CA VAL A 35 0.646 4.273 -3.717 1.00 65.15 C ATOM 549 C VAL A 35 -0.703 3.706 -4.144 1.00 34.20 C ATOM 550 O VAL A 35 -0.819 2.522 -4.460 1.00 22.14 O ATOM 551 CB VAL A 35 0.758 4.204 -2.183 1.00 13.34 C ATOM 552 CG1 VAL A 35 0.614 2.770 -1.700 1.00 61.42 C ATOM 553 CG2 VAL A 35 2.076 4.803 -1.717 1.00 50.34 C ATOM 0 H VAL A 35 1.207 6.284 -3.515 1.00 20.42 H new ATOM 0 HA VAL A 35 1.444 3.676 -4.158 1.00 65.15 H new ATOM 0 HB VAL A 35 -0.053 4.790 -1.751 1.00 13.34 H new ATOM 0 HG11 VAL A 35 0.696 2.742 -0.613 1.00 61.42 H new ATOM 0 HG12 VAL A 35 -0.359 2.381 -2.001 1.00 61.42 H new ATOM 0 HG13 VAL A 35 1.401 2.157 -2.139 1.00 61.42 H new ATOM 0 HG21 VAL A 35 2.138 4.746 -0.630 1.00 50.34 H new ATOM 0 HG22 VAL A 35 2.904 4.247 -2.157 1.00 50.34 H new ATOM 0 HG23 VAL A 35 2.132 5.846 -2.029 1.00 50.34 H new ATOM 563 N TRP A 36 -1.721 4.560 -4.152 1.00 41.14 N ATOM 564 CA TRP A 36 -3.064 4.144 -4.541 1.00 31.01 C ATOM 565 C TRP A 36 -3.092 3.686 -5.995 1.00 71.01 C ATOM 566 O TRP A 36 -3.611 2.614 -6.307 1.00 52.33 O ATOM 567 CB TRP A 36 -4.054 5.292 -4.335 1.00 61.34 C ATOM 568 CG TRP A 36 -5.466 4.926 -4.682 1.00 54.42 C ATOM 569 CD1 TRP A 36 -6.321 4.164 -3.938 1.00 51.14 C ATOM 570 CD2 TRP A 36 -6.185 5.307 -5.861 1.00 1.13 C ATOM 571 NE1 TRP A 36 -7.529 4.048 -4.584 1.00 40.53 N ATOM 572 CE2 TRP A 36 -7.471 4.741 -5.765 1.00 35.43 C ATOM 573 CE3 TRP A 36 -5.869 6.072 -6.985 1.00 44.42 C ATOM 574 CZ2 TRP A 36 -8.437 4.916 -6.752 1.00 31.04 C ATOM 575 CZ3 TRP A 36 -6.828 6.244 -7.965 1.00 5.42 C ATOM 576 CH2 TRP A 36 -8.100 5.669 -7.844 1.00 1.44 C ATOM 0 H TRP A 36 -1.642 5.544 -3.894 1.00 41.14 H new ATOM 0 HA TRP A 36 -3.355 3.304 -3.910 1.00 31.01 H new ATOM 0 HB2 TRP A 36 -4.015 5.614 -3.295 1.00 61.34 H new ATOM 0 HB3 TRP A 36 -3.746 6.142 -4.944 1.00 61.34 H new ATOM 0 HD1 TRP A 36 -6.083 3.718 -2.983 1.00 51.14 H new ATOM 0 HE1 TRP A 36 -8.338 3.530 -4.240 1.00 40.53 H new ATOM 0 HE3 TRP A 36 -4.892 6.522 -7.087 1.00 44.42 H new ATOM 0 HZ2 TRP A 36 -9.418 4.473 -6.659 1.00 31.04 H new ATOM 0 HZ3 TRP A 36 -6.593 6.832 -8.840 1.00 5.42 H new ATOM 0 HH2 TRP A 36 -8.828 5.823 -8.627 1.00 1.44 H new ATOM 587 N ALA A 37 -2.531 4.503 -6.880 1.00 32.21 N ATOM 588 CA ALA A 37 -2.490 4.180 -8.300 1.00 75.52 C ATOM 589 C ALA A 37 -1.574 2.991 -8.566 1.00 63.45 C ATOM 590 O ALA A 37 -1.929 2.073 -9.307 1.00 41.45 O ATOM 591 CB ALA A 37 -2.038 5.388 -9.105 1.00 3.32 C ATOM 0 H ALA A 37 -2.098 5.394 -6.638 1.00 32.21 H new ATOM 0 HA ALA A 37 -3.497 3.906 -8.613 1.00 75.52 H new ATOM 0 HB1 ALA A 37 -2.012 5.131 -10.164 1.00 3.32 H new ATOM 0 HB2 ALA A 37 -2.735 6.211 -8.948 1.00 3.32 H new ATOM 0 HB3 ALA A 37 -1.042 5.689 -8.781 1.00 3.32 H new ATOM 597 N SER A 38 -0.392 3.014 -7.959 1.00 24.20 N ATOM 598 CA SER A 38 0.579 1.939 -8.134 1.00 43.12 C ATOM 599 C SER A 38 -0.041 0.586 -7.799 1.00 41.42 C ATOM 600 O SER A 38 0.351 -0.442 -8.350 1.00 1.22 O ATOM 601 CB SER A 38 1.806 2.183 -7.253 1.00 35.14 C ATOM 602 OG SER A 38 2.521 3.330 -7.680 1.00 72.23 O ATOM 0 H SER A 38 -0.083 3.765 -7.342 1.00 24.20 H new ATOM 0 HA SER A 38 0.887 1.928 -9.179 1.00 43.12 H new ATOM 0 HB2 SER A 38 1.494 2.310 -6.216 1.00 35.14 H new ATOM 0 HB3 SER A 38 2.459 1.311 -7.284 1.00 35.14 H new ATOM 0 HG SER A 38 3.299 3.465 -7.100 1.00 72.23 H new ATOM 608 N ARG A 39 -1.013 0.596 -6.891 1.00 65.12 N ATOM 609 CA ARG A 39 -1.686 -0.630 -6.481 1.00 14.43 C ATOM 610 C ARG A 39 -2.930 -0.876 -7.330 1.00 45.01 C ATOM 611 O ARG A 39 -3.473 -1.980 -7.346 1.00 23.05 O ATOM 612 CB ARG A 39 -2.074 -0.554 -5.002 1.00 44.31 C ATOM 613 CG ARG A 39 -0.994 -1.067 -4.064 1.00 4.41 C ATOM 614 CD ARG A 39 -1.259 -2.502 -3.642 1.00 20.43 C ATOM 615 NE ARG A 39 -0.485 -2.878 -2.462 1.00 64.32 N ATOM 616 CZ ARG A 39 -0.738 -2.423 -1.240 1.00 61.13 C ATOM 617 NH1 ARG A 39 -1.742 -1.581 -1.039 1.00 2.24 N ATOM 618 NH2 ARG A 39 0.012 -2.812 -0.217 1.00 32.21 N ATOM 0 H ARG A 39 -1.351 1.439 -6.426 1.00 65.12 H new ATOM 0 HA ARG A 39 -0.995 -1.460 -6.627 1.00 14.43 H new ATOM 0 HB2 ARG A 39 -2.303 0.481 -4.748 1.00 44.31 H new ATOM 0 HB3 ARG A 39 -2.985 -1.131 -4.844 1.00 44.31 H new ATOM 0 HG2 ARG A 39 -0.023 -1.005 -4.556 1.00 4.41 H new ATOM 0 HG3 ARG A 39 -0.945 -0.430 -3.181 1.00 4.41 H new ATOM 0 HD2 ARG A 39 -2.321 -2.628 -3.434 1.00 20.43 H new ATOM 0 HD3 ARG A 39 -1.014 -3.173 -4.465 1.00 20.43 H new ATOM 0 HE ARG A 39 0.293 -3.526 -2.583 1.00 64.32 H new ATOM 0 HH11 ARG A 39 -2.321 -1.282 -1.823 1.00 2.24 H new ATOM 0 HH12 ARG A 39 -1.935 -1.232 -0.100 1.00 2.24 H new ATOM 0 HH21 ARG A 39 0.784 -3.461 -0.368 1.00 32.21 H new ATOM 0 HH22 ARG A 39 -0.183 -2.462 0.721 1.00 32.21 H new ATOM 632 N GLU A 40 -3.374 0.160 -8.035 1.00 73.44 N ATOM 633 CA GLU A 40 -4.554 0.054 -8.887 1.00 25.13 C ATOM 634 C GLU A 40 -4.188 -0.513 -10.255 1.00 40.11 C ATOM 635 O GLU A 40 -4.926 -1.319 -10.823 1.00 43.12 O ATOM 636 CB GLU A 40 -5.216 1.423 -9.048 1.00 53.34 C ATOM 637 CG GLU A 40 -6.573 1.527 -8.373 1.00 23.55 C ATOM 638 CD GLU A 40 -7.651 0.751 -9.104 1.00 70.54 C ATOM 639 OE1 GLU A 40 -7.373 -0.390 -9.532 1.00 4.22 O ATOM 640 OE2 GLU A 40 -8.771 1.282 -9.249 1.00 51.15 O ATOM 0 H GLU A 40 -2.936 1.081 -8.033 1.00 73.44 H new ATOM 0 HA GLU A 40 -5.258 -0.627 -8.409 1.00 25.13 H new ATOM 0 HB2 GLU A 40 -4.556 2.187 -8.637 1.00 53.34 H new ATOM 0 HB3 GLU A 40 -5.331 1.639 -10.110 1.00 53.34 H new ATOM 0 HG2 GLU A 40 -6.495 1.157 -7.351 1.00 23.55 H new ATOM 0 HG3 GLU A 40 -6.864 2.576 -8.311 1.00 23.55 H new ATOM 647 N LEU A 41 -3.046 -0.084 -10.780 1.00 45.03 N ATOM 648 CA LEU A 41 -2.581 -0.547 -12.083 1.00 53.01 C ATOM 649 C LEU A 41 -2.286 -2.044 -12.055 1.00 53.25 C ATOM 650 O LEU A 41 -2.592 -2.764 -13.006 1.00 10.31 O ATOM 651 CB LEU A 41 -1.329 0.224 -12.503 1.00 64.25 C ATOM 652 CG LEU A 41 -1.557 1.639 -13.033 1.00 75.14 C ATOM 653 CD1 LEU A 41 -0.246 2.407 -13.090 1.00 42.21 C ATOM 654 CD2 LEU A 41 -2.212 1.595 -14.406 1.00 42.15 C ATOM 0 H LEU A 41 -2.425 0.584 -10.324 1.00 45.03 H new ATOM 0 HA LEU A 41 -3.372 -0.365 -12.810 1.00 53.01 H new ATOM 0 HB2 LEU A 41 -0.659 0.283 -11.646 1.00 64.25 H new ATOM 0 HB3 LEU A 41 -0.814 -0.351 -13.272 1.00 64.25 H new ATOM 0 HG LEU A 41 -2.228 2.158 -12.349 1.00 75.14 H new ATOM 0 HD11 LEU A 41 -0.429 3.412 -13.470 1.00 42.21 H new ATOM 0 HD12 LEU A 41 0.183 2.470 -12.090 1.00 42.21 H new ATOM 0 HD13 LEU A 41 0.450 1.891 -13.751 1.00 42.21 H new ATOM 0 HD21 LEU A 41 -2.367 2.611 -14.768 1.00 42.15 H new ATOM 0 HD22 LEU A 41 -1.566 1.057 -15.100 1.00 42.15 H new ATOM 0 HD23 LEU A 41 -3.173 1.085 -14.335 1.00 42.15 H new ATOM 666 N GLU A 42 -1.691 -2.505 -10.960 1.00 10.23 N ATOM 667 CA GLU A 42 -1.357 -3.916 -10.809 1.00 22.10 C ATOM 668 C GLU A 42 -2.592 -4.792 -10.999 1.00 11.51 C ATOM 669 O GLU A 42 -2.486 -5.961 -11.367 1.00 33.13 O ATOM 670 CB GLU A 42 -0.743 -4.173 -9.432 1.00 11.24 C ATOM 671 CG GLU A 42 -1.764 -4.197 -8.306 1.00 23.53 C ATOM 672 CD GLU A 42 -2.132 -5.607 -7.883 1.00 43.04 C ATOM 673 OE1 GLU A 42 -2.847 -6.287 -8.649 1.00 20.12 O ATOM 674 OE2 GLU A 42 -1.707 -6.029 -6.788 1.00 45.42 O ATOM 0 H GLU A 42 -1.430 -1.922 -10.165 1.00 10.23 H new ATOM 0 HA GLU A 42 -0.629 -4.174 -11.578 1.00 22.10 H new ATOM 0 HB2 GLU A 42 -0.213 -5.125 -9.451 1.00 11.24 H new ATOM 0 HB3 GLU A 42 -0.003 -3.401 -9.224 1.00 11.24 H new ATOM 0 HG2 GLU A 42 -1.366 -3.656 -7.448 1.00 23.53 H new ATOM 0 HG3 GLU A 42 -2.664 -3.671 -8.625 1.00 23.53 H new ATOM 681 N ARG A 43 -3.763 -4.215 -10.746 1.00 64.20 N ATOM 682 CA ARG A 43 -5.018 -4.942 -10.887 1.00 32.52 C ATOM 683 C ARG A 43 -5.477 -4.958 -12.342 1.00 70.05 C ATOM 684 O ARG A 43 -6.297 -5.787 -12.737 1.00 54.25 O ATOM 685 CB ARG A 43 -6.099 -4.313 -10.007 1.00 1.43 C ATOM 686 CG ARG A 43 -7.438 -5.029 -10.078 1.00 62.23 C ATOM 687 CD ARG A 43 -8.326 -4.670 -8.898 1.00 33.21 C ATOM 688 NE ARG A 43 -9.624 -5.337 -8.966 1.00 23.01 N ATOM 689 CZ ARG A 43 -10.686 -4.950 -8.269 1.00 12.22 C ATOM 690 NH1 ARG A 43 -10.606 -3.905 -7.456 1.00 44.13 N ATOM 691 NH2 ARG A 43 -11.833 -5.607 -8.385 1.00 43.00 N ATOM 0 H ARG A 43 -3.868 -3.247 -10.443 1.00 64.20 H new ATOM 0 HA ARG A 43 -4.851 -5.970 -10.565 1.00 32.52 H new ATOM 0 HB2 ARG A 43 -5.755 -4.307 -8.973 1.00 1.43 H new ATOM 0 HB3 ARG A 43 -6.237 -3.273 -10.303 1.00 1.43 H new ATOM 0 HG2 ARG A 43 -7.943 -4.767 -11.008 1.00 62.23 H new ATOM 0 HG3 ARG A 43 -7.275 -6.107 -10.097 1.00 62.23 H new ATOM 0 HD2 ARG A 43 -7.825 -4.946 -7.970 1.00 33.21 H new ATOM 0 HD3 ARG A 43 -8.474 -3.590 -8.871 1.00 33.21 H new ATOM 0 HE ARG A 43 -9.720 -6.144 -9.582 1.00 23.01 H new ATOM 0 HH11 ARG A 43 -9.727 -3.396 -7.365 1.00 44.13 H new ATOM 0 HH12 ARG A 43 -11.424 -3.610 -6.922 1.00 44.13 H new ATOM 0 HH21 ARG A 43 -11.900 -6.410 -9.010 1.00 43.00 H new ATOM 0 HH22 ARG A 43 -12.648 -5.309 -7.849 1.00 43.00 H new ATOM 705 N PHE A 44 -4.943 -4.035 -13.135 1.00 50.13 N ATOM 706 CA PHE A 44 -5.299 -3.941 -14.547 1.00 63.11 C ATOM 707 C PHE A 44 -4.232 -4.594 -15.421 1.00 22.10 C ATOM 708 O PHE A 44 -4.073 -4.245 -16.590 1.00 12.31 O ATOM 709 CB PHE A 44 -5.480 -2.476 -14.953 1.00 21.33 C ATOM 710 CG PHE A 44 -6.687 -1.829 -14.336 1.00 4.24 C ATOM 711 CD1 PHE A 44 -7.912 -2.476 -14.334 1.00 44.03 C ATOM 712 CD2 PHE A 44 -6.595 -0.572 -13.758 1.00 75.33 C ATOM 713 CE1 PHE A 44 -9.024 -1.881 -13.769 1.00 22.24 C ATOM 714 CE2 PHE A 44 -7.704 0.027 -13.191 1.00 20.04 C ATOM 715 CZ PHE A 44 -8.919 -0.630 -13.195 1.00 10.51 C ATOM 0 H PHE A 44 -4.262 -3.342 -12.825 1.00 50.13 H new ATOM 0 HA PHE A 44 -6.240 -4.471 -14.695 1.00 63.11 H new ATOM 0 HB2 PHE A 44 -4.590 -1.915 -14.667 1.00 21.33 H new ATOM 0 HB3 PHE A 44 -5.560 -2.415 -16.038 1.00 21.33 H new ATOM 0 HD1 PHE A 44 -7.999 -3.456 -14.779 1.00 44.03 H new ATOM 0 HD2 PHE A 44 -5.647 -0.055 -13.751 1.00 75.33 H new ATOM 0 HE1 PHE A 44 -9.974 -2.394 -13.777 1.00 22.24 H new ATOM 0 HE2 PHE A 44 -7.621 1.007 -12.745 1.00 20.04 H new ATOM 0 HZ PHE A 44 -9.786 -0.165 -12.749 1.00 10.51 H new ATOM 725 N ALA A 45 -3.503 -5.545 -14.844 1.00 53.41 N ATOM 726 CA ALA A 45 -2.453 -6.248 -15.569 1.00 72.41 C ATOM 727 C ALA A 45 -1.307 -5.307 -15.927 1.00 34.44 C ATOM 728 O ALA A 45 -0.562 -5.554 -16.875 1.00 10.42 O ATOM 729 CB ALA A 45 -3.020 -6.893 -16.826 1.00 13.42 C ATOM 0 H ALA A 45 -3.621 -5.845 -13.876 1.00 53.41 H new ATOM 0 HA ALA A 45 -2.058 -7.029 -14.919 1.00 72.41 H new ATOM 0 HB1 ALA A 45 -2.224 -7.415 -17.358 1.00 13.42 H new ATOM 0 HB2 ALA A 45 -3.799 -7.604 -16.551 1.00 13.42 H new ATOM 0 HB3 ALA A 45 -3.443 -6.123 -17.471 1.00 13.42 H new ATOM 735 N VAL A 46 -1.174 -4.228 -15.162 1.00 73.55 N ATOM 736 CA VAL A 46 -0.118 -3.250 -15.399 1.00 34.01 C ATOM 737 C VAL A 46 0.731 -3.047 -14.150 1.00 3.11 C ATOM 738 O VAL A 46 0.222 -2.679 -13.092 1.00 41.51 O ATOM 739 CB VAL A 46 -0.700 -1.892 -15.837 1.00 60.14 C ATOM 740 CG1 VAL A 46 0.410 -0.866 -16.005 1.00 23.33 C ATOM 741 CG2 VAL A 46 -1.496 -2.045 -17.124 1.00 64.04 C ATOM 0 H VAL A 46 -1.783 -4.009 -14.374 1.00 73.55 H new ATOM 0 HA VAL A 46 0.507 -3.645 -16.200 1.00 34.01 H new ATOM 0 HB VAL A 46 -1.376 -1.537 -15.059 1.00 60.14 H new ATOM 0 HG11 VAL A 46 -0.019 0.087 -16.315 1.00 23.33 H new ATOM 0 HG12 VAL A 46 0.933 -0.738 -15.057 1.00 23.33 H new ATOM 0 HG13 VAL A 46 1.113 -1.211 -16.764 1.00 23.33 H new ATOM 0 HG21 VAL A 46 -1.900 -1.077 -17.419 1.00 64.04 H new ATOM 0 HG22 VAL A 46 -0.844 -2.422 -17.912 1.00 64.04 H new ATOM 0 HG23 VAL A 46 -2.315 -2.746 -16.964 1.00 64.04 H new ATOM 751 N ASN A 47 2.032 -3.290 -14.280 1.00 31.14 N ATOM 752 CA ASN A 47 2.954 -3.134 -13.162 1.00 4.14 C ATOM 753 C ASN A 47 3.200 -1.658 -12.860 1.00 73.22 C ATOM 754 O ASN A 47 3.289 -0.822 -13.760 1.00 15.04 O ATOM 755 CB ASN A 47 4.281 -3.832 -13.466 1.00 44.33 C ATOM 756 CG ASN A 47 4.346 -5.231 -12.883 1.00 44.43 C ATOM 757 OD1 ASN A 47 4.234 -5.416 -11.672 1.00 0.21 O ATOM 758 ND2 ASN A 47 4.530 -6.222 -13.747 1.00 35.41 N ATOM 0 H ASN A 47 2.471 -3.596 -15.149 1.00 31.14 H new ATOM 0 HA ASN A 47 2.501 -3.595 -12.284 1.00 4.14 H new ATOM 0 HB2 ASN A 47 4.422 -3.884 -14.546 1.00 44.33 H new ATOM 0 HB3 ASN A 47 5.102 -3.236 -13.066 1.00 44.33 H new ATOM 0 HD21 ASN A 47 4.584 -7.185 -13.415 1.00 35.41 H new ATOM 0 HD22 ASN A 47 4.618 -6.021 -14.743 1.00 35.41 H new ATOM 765 N PRO A 48 3.313 -1.330 -11.566 1.00 1.53 N ATOM 766 CA PRO A 48 3.552 0.046 -11.116 1.00 33.14 C ATOM 767 C PRO A 48 4.953 0.535 -11.464 1.00 24.01 C ATOM 768 O PRO A 48 5.277 1.707 -11.277 1.00 32.22 O ATOM 769 CB PRO A 48 3.378 -0.043 -9.597 1.00 12.40 C ATOM 770 CG PRO A 48 3.684 -1.462 -9.263 1.00 32.12 C ATOM 771 CD PRO A 48 3.219 -2.274 -10.440 1.00 35.52 C ATOM 0 HA PRO A 48 2.877 0.755 -11.596 1.00 33.14 H new ATOM 0 HB2 PRO A 48 4.053 0.640 -9.081 1.00 12.40 H new ATOM 0 HB3 PRO A 48 2.364 0.224 -9.298 1.00 12.40 H new ATOM 0 HG2 PRO A 48 4.751 -1.601 -9.090 1.00 32.12 H new ATOM 0 HG3 PRO A 48 3.171 -1.768 -8.351 1.00 32.12 H new ATOM 0 HD2 PRO A 48 3.848 -3.150 -10.597 1.00 35.52 H new ATOM 0 HD3 PRO A 48 2.200 -2.634 -10.302 1.00 35.52 H new ATOM 779 N GLY A 49 5.783 -0.372 -11.972 1.00 22.14 N ATOM 780 CA GLY A 49 7.140 -0.014 -12.338 1.00 0.23 C ATOM 781 C GLY A 49 7.192 0.908 -13.541 1.00 23.31 C ATOM 782 O GLY A 49 8.239 1.476 -13.852 1.00 4.33 O ATOM 0 H GLY A 49 5.539 -1.349 -12.136 1.00 22.14 H new ATOM 0 HA2 GLY A 49 7.626 0.471 -11.491 1.00 0.23 H new ATOM 0 HA3 GLY A 49 7.706 -0.920 -12.554 1.00 0.23 H new ATOM 786 N LEU A 50 6.060 1.053 -14.221 1.00 11.53 N ATOM 787 CA LEU A 50 5.980 1.911 -15.399 1.00 2.22 C ATOM 788 C LEU A 50 5.771 3.367 -14.998 1.00 42.51 C ATOM 789 O LEU A 50 6.135 4.284 -15.737 1.00 14.31 O ATOM 790 CB LEU A 50 4.842 1.452 -16.312 1.00 4.32 C ATOM 791 CG LEU A 50 4.778 -0.048 -16.602 1.00 14.52 C ATOM 792 CD1 LEU A 50 3.413 -0.427 -17.155 1.00 4.32 C ATOM 793 CD2 LEU A 50 5.879 -0.451 -17.572 1.00 34.50 C ATOM 0 H LEU A 50 5.185 0.588 -13.978 1.00 11.53 H new ATOM 0 HA LEU A 50 6.924 1.834 -15.939 1.00 2.22 H new ATOM 0 HB2 LEU A 50 3.897 1.755 -15.862 1.00 4.32 H new ATOM 0 HB3 LEU A 50 4.928 1.982 -17.261 1.00 4.32 H new ATOM 0 HG LEU A 50 4.930 -0.586 -15.667 1.00 14.52 H new ATOM 0 HD11 LEU A 50 3.386 -1.498 -17.355 1.00 4.32 H new ATOM 0 HD12 LEU A 50 2.642 -0.175 -16.426 1.00 4.32 H new ATOM 0 HD13 LEU A 50 3.231 0.120 -18.080 1.00 4.32 H new ATOM 0 HD21 LEU A 50 5.818 -1.522 -17.767 1.00 34.50 H new ATOM 0 HD22 LEU A 50 5.758 0.096 -18.507 1.00 34.50 H new ATOM 0 HD23 LEU A 50 6.851 -0.216 -17.138 1.00 34.50 H new ATOM 805 N LEU A 51 5.184 3.575 -13.825 1.00 5.21 N ATOM 806 CA LEU A 51 4.927 4.921 -13.325 1.00 5.25 C ATOM 807 C LEU A 51 6.231 5.623 -12.958 1.00 21.31 C ATOM 808 O LEU A 51 6.282 6.849 -12.863 1.00 35.13 O ATOM 809 CB LEU A 51 4.004 4.867 -12.106 1.00 23.52 C ATOM 810 CG LEU A 51 2.582 4.366 -12.363 1.00 1.41 C ATOM 811 CD1 LEU A 51 1.858 4.120 -11.049 1.00 74.22 C ATOM 812 CD2 LEU A 51 1.814 5.363 -13.219 1.00 70.21 C ATOM 0 H LEU A 51 4.877 2.828 -13.202 1.00 5.21 H new ATOM 0 HA LEU A 51 4.439 5.489 -14.117 1.00 5.25 H new ATOM 0 HB2 LEU A 51 4.464 4.225 -11.355 1.00 23.52 H new ATOM 0 HB3 LEU A 51 3.944 5.867 -11.676 1.00 23.52 H new ATOM 0 HG LEU A 51 2.641 3.421 -12.904 1.00 1.41 H new ATOM 0 HD11 LEU A 51 0.848 3.764 -11.251 1.00 74.22 H new ATOM 0 HD12 LEU A 51 2.398 3.370 -10.471 1.00 74.22 H new ATOM 0 HD13 LEU A 51 1.808 5.049 -10.481 1.00 74.22 H new ATOM 0 HD21 LEU A 51 0.804 4.991 -13.393 1.00 70.21 H new ATOM 0 HD22 LEU A 51 1.764 6.322 -12.704 1.00 70.21 H new ATOM 0 HD23 LEU A 51 2.323 5.490 -14.174 1.00 70.21 H new ATOM 824 N GLU A 52 7.284 4.837 -12.754 1.00 70.21 N ATOM 825 CA GLU A 52 8.588 5.384 -12.400 1.00 0.33 C ATOM 826 C GLU A 52 9.271 5.997 -13.619 1.00 43.22 C ATOM 827 O GLU A 52 10.199 6.796 -13.491 1.00 23.53 O ATOM 828 CB GLU A 52 9.478 4.294 -11.798 1.00 53.02 C ATOM 829 CG GLU A 52 10.113 3.385 -12.836 1.00 11.24 C ATOM 830 CD GLU A 52 11.597 3.644 -13.008 1.00 2.41 C ATOM 831 OE1 GLU A 52 11.976 4.820 -13.195 1.00 73.54 O ATOM 832 OE2 GLU A 52 12.379 2.672 -12.954 1.00 44.04 O ATOM 0 H GLU A 52 7.259 3.820 -12.828 1.00 70.21 H new ATOM 0 HA GLU A 52 8.434 6.168 -11.659 1.00 0.33 H new ATOM 0 HB2 GLU A 52 10.265 4.764 -11.209 1.00 53.02 H new ATOM 0 HB3 GLU A 52 8.884 3.689 -11.112 1.00 53.02 H new ATOM 0 HG2 GLU A 52 9.961 2.346 -12.545 1.00 11.24 H new ATOM 0 HG3 GLU A 52 9.610 3.525 -13.793 1.00 11.24 H new ATOM 839 N THR A 53 8.805 5.617 -14.805 1.00 74.43 N ATOM 840 CA THR A 53 9.371 6.126 -16.048 1.00 34.44 C ATOM 841 C THR A 53 8.345 6.945 -16.823 1.00 43.24 C ATOM 842 O THR A 53 7.226 6.492 -17.060 1.00 54.44 O ATOM 843 CB THR A 53 9.879 4.981 -16.944 1.00 60.21 C ATOM 844 OG1 THR A 53 8.778 4.355 -17.611 1.00 41.14 O ATOM 845 CG2 THR A 53 10.636 3.947 -16.124 1.00 44.33 C ATOM 0 H THR A 53 8.037 4.958 -14.931 1.00 74.43 H new ATOM 0 HA THR A 53 10.211 6.764 -15.775 1.00 34.44 H new ATOM 0 HB THR A 53 10.559 5.403 -17.684 1.00 60.21 H new ATOM 0 HG1 THR A 53 7.960 4.489 -17.088 1.00 41.14 H new ATOM 0 HG21 THR A 53 10.985 3.148 -16.778 1.00 44.33 H new ATOM 0 HG22 THR A 53 11.491 4.420 -15.641 1.00 44.33 H new ATOM 0 HG23 THR A 53 9.975 3.531 -15.364 1.00 44.33 H new ATOM 853 N SER A 54 8.736 8.154 -17.216 1.00 34.12 N ATOM 854 CA SER A 54 7.848 9.038 -17.962 1.00 43.13 C ATOM 855 C SER A 54 7.245 8.316 -19.163 1.00 64.33 C ATOM 856 O SER A 54 6.117 8.595 -19.565 1.00 52.21 O ATOM 857 CB SER A 54 8.608 10.281 -18.430 1.00 0.31 C ATOM 858 OG SER A 54 9.072 10.125 -19.760 1.00 2.32 O ATOM 0 H SER A 54 9.661 8.543 -17.030 1.00 34.12 H new ATOM 0 HA SER A 54 7.038 9.343 -17.299 1.00 43.13 H new ATOM 0 HB2 SER A 54 7.957 11.153 -18.369 1.00 0.31 H new ATOM 0 HB3 SER A 54 9.453 10.466 -17.766 1.00 0.31 H new ATOM 0 HG SER A 54 10.024 10.355 -19.804 1.00 2.32 H new ATOM 864 N GLU A 55 8.007 7.386 -19.730 1.00 34.02 N ATOM 865 CA GLU A 55 7.548 6.623 -20.885 1.00 12.51 C ATOM 866 C GLU A 55 6.433 5.658 -20.493 1.00 24.03 C ATOM 867 O GLU A 55 5.487 5.445 -21.249 1.00 34.33 O ATOM 868 CB GLU A 55 8.712 5.849 -21.508 1.00 32.23 C ATOM 869 CG GLU A 55 9.485 6.644 -22.547 1.00 75.32 C ATOM 870 CD GLU A 55 8.929 6.469 -23.947 1.00 74.13 C ATOM 871 OE1 GLU A 55 9.308 5.488 -24.620 1.00 13.04 O ATOM 872 OE2 GLU A 55 8.113 7.315 -24.370 1.00 41.24 O ATOM 0 H GLU A 55 8.944 7.143 -19.409 1.00 34.02 H new ATOM 0 HA GLU A 55 7.154 7.326 -21.619 1.00 12.51 H new ATOM 0 HB2 GLU A 55 9.396 5.539 -20.718 1.00 32.23 H new ATOM 0 HB3 GLU A 55 8.327 4.940 -21.971 1.00 32.23 H new ATOM 0 HG2 GLU A 55 9.463 7.701 -22.281 1.00 75.32 H new ATOM 0 HG3 GLU A 55 10.530 6.333 -22.533 1.00 75.32 H new ATOM 879 N GLY A 56 6.553 5.077 -19.303 1.00 4.22 N ATOM 880 CA GLY A 56 5.550 4.141 -18.830 1.00 13.11 C ATOM 881 C GLY A 56 4.205 4.802 -18.597 1.00 21.22 C ATOM 882 O GLY A 56 3.160 4.207 -18.866 1.00 4.34 O ATOM 0 H GLY A 56 7.327 5.238 -18.658 1.00 4.22 H new ATOM 0 HA2 GLY A 56 5.435 3.337 -19.557 1.00 13.11 H new ATOM 0 HA3 GLY A 56 5.893 3.684 -17.902 1.00 13.11 H new ATOM 886 N CYS A 57 4.230 6.031 -18.096 1.00 40.44 N ATOM 887 CA CYS A 57 3.003 6.772 -17.825 1.00 44.02 C ATOM 888 C CYS A 57 2.238 7.047 -19.115 1.00 41.45 C ATOM 889 O CYS A 57 1.129 6.549 -19.309 1.00 53.50 O ATOM 890 CB CYS A 57 3.324 8.090 -17.117 1.00 70.30 C ATOM 891 SG CYS A 57 4.279 7.895 -15.594 1.00 2.05 S ATOM 0 H CYS A 57 5.086 6.536 -17.869 1.00 40.44 H new ATOM 0 HA CYS A 57 2.376 6.162 -17.175 1.00 44.02 H new ATOM 0 HB2 CYS A 57 3.878 8.732 -17.801 1.00 70.30 H new ATOM 0 HB3 CYS A 57 2.390 8.602 -16.885 1.00 70.30 H new ATOM 0 HG CYS A 57 5.431 7.359 -15.870 1.00 2.05 H new ATOM 897 N ARG A 58 2.838 7.844 -19.994 1.00 70.11 N ATOM 898 CA ARG A 58 2.211 8.187 -21.265 1.00 51.51 C ATOM 899 C ARG A 58 1.600 6.954 -21.921 1.00 73.25 C ATOM 900 O ARG A 58 0.546 7.033 -22.552 1.00 71.34 O ATOM 901 CB ARG A 58 3.235 8.825 -22.207 1.00 11.23 C ATOM 902 CG ARG A 58 2.607 9.622 -23.339 1.00 22.40 C ATOM 903 CD ARG A 58 3.478 10.802 -23.739 1.00 4.01 C ATOM 904 NE ARG A 58 4.798 10.377 -24.199 1.00 2.32 N ATOM 905 CZ ARG A 58 5.023 9.848 -25.397 1.00 21.31 C ATOM 906 NH1 ARG A 58 4.021 9.679 -26.249 1.00 44.42 N ATOM 907 NH2 ARG A 58 6.252 9.487 -25.743 1.00 21.21 N ATOM 0 H ARG A 58 3.756 8.264 -19.849 1.00 70.11 H new ATOM 0 HA ARG A 58 1.414 8.903 -21.066 1.00 51.51 H new ATOM 0 HB2 ARG A 58 3.887 9.481 -21.630 1.00 11.23 H new ATOM 0 HB3 ARG A 58 3.864 8.042 -22.631 1.00 11.23 H new ATOM 0 HG2 ARG A 58 2.454 8.973 -24.201 1.00 22.40 H new ATOM 0 HG3 ARG A 58 1.625 9.981 -23.032 1.00 22.40 H new ATOM 0 HD2 ARG A 58 2.983 11.366 -24.529 1.00 4.01 H new ATOM 0 HD3 ARG A 58 3.590 11.475 -22.889 1.00 4.01 H new ATOM 0 HE ARG A 58 5.590 10.493 -23.566 1.00 2.32 H new ATOM 0 HH11 ARG A 58 3.075 9.955 -25.985 1.00 44.42 H new ATOM 0 HH12 ARG A 58 4.196 9.273 -27.168 1.00 44.42 H new ATOM 0 HH21 ARG A 58 7.024 9.616 -25.089 1.00 21.21 H new ATOM 0 HH22 ARG A 58 6.424 9.081 -26.663 1.00 21.21 H new ATOM 921 N GLN A 59 2.269 5.815 -21.768 1.00 54.51 N ATOM 922 CA GLN A 59 1.792 4.565 -22.347 1.00 54.21 C ATOM 923 C GLN A 59 0.508 4.105 -21.666 1.00 55.51 C ATOM 924 O GLN A 59 -0.468 3.754 -22.331 1.00 31.33 O ATOM 925 CB GLN A 59 2.864 3.481 -22.226 1.00 50.14 C ATOM 926 CG GLN A 59 3.933 3.560 -23.303 1.00 63.31 C ATOM 927 CD GLN A 59 4.768 2.298 -23.391 1.00 64.30 C ATOM 928 OE1 GLN A 59 5.136 1.710 -22.373 1.00 11.51 O ATOM 929 NE2 GLN A 59 5.073 1.872 -24.612 1.00 33.14 N ATOM 0 H GLN A 59 3.143 5.733 -21.248 1.00 54.51 H new ATOM 0 HA GLN A 59 1.580 4.740 -23.402 1.00 54.21 H new ATOM 0 HB2 GLN A 59 3.339 3.559 -21.248 1.00 50.14 H new ATOM 0 HB3 GLN A 59 2.386 2.502 -22.271 1.00 50.14 H new ATOM 0 HG2 GLN A 59 3.459 3.745 -24.267 1.00 63.31 H new ATOM 0 HG3 GLN A 59 4.585 4.409 -23.100 1.00 63.31 H new ATOM 0 HE21 GLN A 59 4.748 2.389 -25.429 1.00 33.14 H new ATOM 0 HE22 GLN A 59 5.632 1.028 -24.733 1.00 33.14 H new ATOM 938 N ILE A 60 0.513 4.110 -20.337 1.00 43.14 N ATOM 939 CA ILE A 60 -0.651 3.693 -19.566 1.00 52.52 C ATOM 940 C ILE A 60 -1.864 4.557 -19.894 1.00 52.45 C ATOM 941 O ILE A 60 -2.947 4.043 -20.179 1.00 51.32 O ATOM 942 CB ILE A 60 -0.380 3.764 -18.052 1.00 43.20 C ATOM 943 CG1 ILE A 60 0.795 2.856 -17.680 1.00 50.22 C ATOM 944 CG2 ILE A 60 -1.625 3.374 -17.272 1.00 30.40 C ATOM 945 CD1 ILE A 60 1.635 3.391 -16.541 1.00 44.34 C ATOM 0 H ILE A 60 1.311 4.399 -19.772 1.00 43.14 H new ATOM 0 HA ILE A 60 -0.857 2.659 -19.841 1.00 52.52 H new ATOM 0 HB ILE A 60 -0.119 4.790 -17.792 1.00 43.20 H new ATOM 0 HG12 ILE A 60 0.412 1.873 -17.407 1.00 50.22 H new ATOM 0 HG13 ILE A 60 1.429 2.719 -18.556 1.00 50.22 H new ATOM 0 HG21 ILE A 60 -1.417 3.429 -16.203 1.00 30.40 H new ATOM 0 HG22 ILE A 60 -2.438 4.057 -17.519 1.00 30.40 H new ATOM 0 HG23 ILE A 60 -1.914 2.356 -17.533 1.00 30.40 H new ATOM 0 HD11 ILE A 60 2.449 2.697 -16.332 1.00 44.34 H new ATOM 0 HD12 ILE A 60 2.048 4.361 -16.818 1.00 44.34 H new ATOM 0 HD13 ILE A 60 1.014 3.501 -15.652 1.00 44.34 H new ATOM 957 N LEU A 61 -1.676 5.872 -19.854 1.00 33.53 N ATOM 958 CA LEU A 61 -2.755 6.808 -20.149 1.00 53.15 C ATOM 959 C LEU A 61 -3.352 6.536 -21.527 1.00 22.44 C ATOM 960 O LEU A 61 -4.510 6.859 -21.787 1.00 23.41 O ATOM 961 CB LEU A 61 -2.240 8.247 -20.079 1.00 51.13 C ATOM 962 CG LEU A 61 -1.723 8.710 -18.716 1.00 64.22 C ATOM 963 CD1 LEU A 61 -0.608 9.730 -18.887 1.00 72.23 C ATOM 964 CD2 LEU A 61 -2.857 9.290 -17.883 1.00 65.43 C ATOM 0 H LEU A 61 -0.787 6.314 -19.620 1.00 33.53 H new ATOM 0 HA LEU A 61 -3.537 6.670 -19.402 1.00 53.15 H new ATOM 0 HB2 LEU A 61 -1.437 8.360 -20.807 1.00 51.13 H new ATOM 0 HB3 LEU A 61 -3.045 8.915 -20.386 1.00 51.13 H new ATOM 0 HG LEU A 61 -1.319 7.845 -18.189 1.00 64.22 H new ATOM 0 HD11 LEU A 61 -0.252 10.048 -17.907 1.00 72.23 H new ATOM 0 HD12 LEU A 61 0.215 9.280 -19.443 1.00 72.23 H new ATOM 0 HD13 LEU A 61 -0.986 10.594 -19.434 1.00 72.23 H new ATOM 0 HD21 LEU A 61 -2.470 9.614 -16.917 1.00 65.43 H new ATOM 0 HD22 LEU A 61 -3.292 10.143 -18.404 1.00 65.43 H new ATOM 0 HD23 LEU A 61 -3.622 8.529 -17.731 1.00 65.43 H new ATOM 976 N GLY A 62 -2.552 5.938 -22.404 1.00 33.33 N ATOM 977 CA GLY A 62 -3.019 5.629 -23.743 1.00 50.35 C ATOM 978 C GLY A 62 -4.109 4.576 -23.750 1.00 22.33 C ATOM 979 O GLY A 62 -4.796 4.390 -24.754 1.00 5.34 O ATOM 0 H GLY A 62 -1.589 5.662 -22.211 1.00 33.33 H new ATOM 0 HA2 GLY A 62 -3.394 6.539 -24.212 1.00 50.35 H new ATOM 0 HA3 GLY A 62 -2.180 5.282 -24.346 1.00 50.35 H new ATOM 983 N GLN A 63 -4.265 3.882 -22.626 1.00 52.02 N ATOM 984 CA GLN A 63 -5.277 2.839 -22.507 1.00 43.33 C ATOM 985 C GLN A 63 -6.573 3.401 -21.935 1.00 14.44 C ATOM 986 O GLN A 63 -7.660 3.135 -22.451 1.00 31.31 O ATOM 987 CB GLN A 63 -4.765 1.701 -21.623 1.00 1.40 C ATOM 988 CG GLN A 63 -4.280 0.492 -22.406 1.00 33.05 C ATOM 989 CD GLN A 63 -5.218 -0.693 -22.289 1.00 70.34 C ATOM 990 OE1 GLN A 63 -5.070 -1.532 -21.400 1.00 43.03 O ATOM 991 NE2 GLN A 63 -6.192 -0.768 -23.190 1.00 21.44 N ATOM 0 H GLN A 63 -3.704 4.023 -21.786 1.00 52.02 H new ATOM 0 HA GLN A 63 -5.481 2.450 -23.505 1.00 43.33 H new ATOM 0 HB2 GLN A 63 -3.949 2.073 -21.003 1.00 1.40 H new ATOM 0 HB3 GLN A 63 -5.562 1.390 -20.948 1.00 1.40 H new ATOM 0 HG2 GLN A 63 -4.173 0.763 -23.456 1.00 33.05 H new ATOM 0 HG3 GLN A 63 -3.291 0.205 -22.048 1.00 33.05 H new ATOM 0 HE21 GLN A 63 -6.277 -0.050 -23.910 1.00 21.44 H new ATOM 0 HE22 GLN A 63 -6.854 -1.543 -23.162 1.00 21.44 H new ATOM 1000 N LEU A 64 -6.453 4.181 -20.866 1.00 31.23 N ATOM 1001 CA LEU A 64 -7.616 4.781 -20.222 1.00 2.45 C ATOM 1002 C LEU A 64 -8.192 5.905 -21.076 1.00 45.42 C ATOM 1003 O LEU A 64 -9.401 6.130 -21.089 1.00 54.51 O ATOM 1004 CB LEU A 64 -7.238 5.317 -18.840 1.00 0.44 C ATOM 1005 CG LEU A 64 -6.578 4.318 -17.889 1.00 44.20 C ATOM 1006 CD1 LEU A 64 -6.175 5.001 -16.592 1.00 73.30 C ATOM 1007 CD2 LEU A 64 -7.511 3.149 -17.611 1.00 73.45 C ATOM 0 H LEU A 64 -5.562 4.413 -20.427 1.00 31.23 H new ATOM 0 HA LEU A 64 -8.377 4.009 -20.110 1.00 2.45 H new ATOM 0 HB2 LEU A 64 -6.563 6.162 -18.973 1.00 0.44 H new ATOM 0 HB3 LEU A 64 -8.139 5.701 -18.363 1.00 0.44 H new ATOM 0 HG LEU A 64 -5.678 3.932 -18.367 1.00 44.20 H new ATOM 0 HD11 LEU A 64 -5.707 4.274 -15.928 1.00 73.30 H new ATOM 0 HD12 LEU A 64 -5.469 5.803 -16.807 1.00 73.30 H new ATOM 0 HD13 LEU A 64 -7.060 5.416 -16.109 1.00 73.30 H new ATOM 0 HD21 LEU A 64 -7.024 2.448 -16.932 1.00 73.45 H new ATOM 0 HD22 LEU A 64 -8.430 3.517 -17.155 1.00 73.45 H new ATOM 0 HD23 LEU A 64 -7.748 2.642 -18.547 1.00 73.45 H new ATOM 1019 N GLN A 65 -7.317 6.607 -21.789 1.00 42.54 N ATOM 1020 CA GLN A 65 -7.739 7.707 -22.648 1.00 10.32 C ATOM 1021 C GLN A 65 -8.985 7.330 -23.443 1.00 3.21 C ATOM 1022 O GLN A 65 -10.039 7.956 -23.325 1.00 52.12 O ATOM 1023 CB GLN A 65 -6.610 8.100 -23.602 1.00 10.25 C ATOM 1024 CG GLN A 65 -5.965 9.436 -23.266 1.00 75.41 C ATOM 1025 CD GLN A 65 -5.384 10.125 -24.483 1.00 41.44 C ATOM 1026 OE1 GLN A 65 -6.113 10.534 -25.387 1.00 43.42 O ATOM 1027 NE2 GLN A 65 -4.063 10.259 -24.514 1.00 31.43 N ATOM 0 H GLN A 65 -6.312 6.434 -21.789 1.00 42.54 H new ATOM 0 HA GLN A 65 -7.980 8.559 -22.012 1.00 10.32 H new ATOM 0 HB2 GLN A 65 -5.846 7.323 -23.586 1.00 10.25 H new ATOM 0 HB3 GLN A 65 -7.002 8.141 -24.618 1.00 10.25 H new ATOM 0 HG2 GLN A 65 -6.707 10.087 -22.804 1.00 75.41 H new ATOM 0 HG3 GLN A 65 -5.176 9.280 -22.530 1.00 75.41 H new ATOM 0 HE21 GLN A 65 -3.496 9.905 -23.743 1.00 31.43 H new ATOM 0 HE22 GLN A 65 -3.615 10.716 -25.309 1.00 31.43 H new ATOM 1036 N PRO A 66 -8.864 6.284 -24.272 1.00 61.40 N ATOM 1037 CA PRO A 66 -9.970 5.799 -25.103 1.00 15.13 C ATOM 1038 C PRO A 66 -11.071 5.143 -24.277 1.00 34.22 C ATOM 1039 O PRO A 66 -12.140 4.820 -24.794 1.00 62.23 O ATOM 1040 CB PRO A 66 -9.303 4.770 -26.018 1.00 63.24 C ATOM 1041 CG PRO A 66 -8.108 4.306 -25.258 1.00 33.32 C ATOM 1042 CD PRO A 66 -7.637 5.491 -24.462 1.00 30.21 C ATOM 0 HA PRO A 66 -10.462 6.610 -25.640 1.00 15.13 H new ATOM 0 HB2 PRO A 66 -9.977 3.942 -26.240 1.00 63.24 H new ATOM 0 HB3 PRO A 66 -9.018 5.214 -26.972 1.00 63.24 H new ATOM 0 HG2 PRO A 66 -8.362 3.472 -24.603 1.00 33.32 H new ATOM 0 HG3 PRO A 66 -7.328 3.955 -25.934 1.00 33.32 H new ATOM 0 HD2 PRO A 66 -7.203 5.188 -23.509 1.00 30.21 H new ATOM 0 HD3 PRO A 66 -6.872 6.055 -24.996 1.00 30.21 H new ATOM 1050 N SER A 67 -10.803 4.949 -22.989 1.00 21.13 N ATOM 1051 CA SER A 67 -11.770 4.327 -22.093 1.00 3.35 C ATOM 1052 C SER A 67 -12.498 5.381 -21.263 1.00 41.44 C ATOM 1053 O SER A 67 -13.466 5.080 -20.565 1.00 55.10 O ATOM 1054 CB SER A 67 -11.071 3.329 -21.167 1.00 55.02 C ATOM 1055 OG SER A 67 -10.472 2.280 -21.909 1.00 11.23 O ATOM 0 H SER A 67 -9.924 5.214 -22.543 1.00 21.13 H new ATOM 0 HA SER A 67 -12.503 3.797 -22.702 1.00 3.35 H new ATOM 0 HB2 SER A 67 -10.311 3.844 -20.580 1.00 55.02 H new ATOM 0 HB3 SER A 67 -11.792 2.915 -20.462 1.00 55.02 H new ATOM 0 HG SER A 67 -9.538 2.507 -22.101 1.00 11.23 H new ATOM 1061 N LEU A 68 -12.025 6.620 -21.347 1.00 2.44 N ATOM 1062 CA LEU A 68 -12.630 7.722 -20.605 1.00 64.04 C ATOM 1063 C LEU A 68 -14.099 7.888 -20.980 1.00 1.01 C ATOM 1064 O LEU A 68 -14.880 8.462 -20.222 1.00 0.31 O ATOM 1065 CB LEU A 68 -11.872 9.022 -20.877 1.00 20.32 C ATOM 1066 CG LEU A 68 -10.585 9.229 -20.076 1.00 32.01 C ATOM 1067 CD1 LEU A 68 -9.631 10.144 -20.828 1.00 22.20 C ATOM 1068 CD2 LEU A 68 -10.900 9.798 -18.700 1.00 12.43 C ATOM 0 H LEU A 68 -11.225 6.887 -21.921 1.00 2.44 H new ATOM 0 HA LEU A 68 -12.569 7.489 -19.542 1.00 64.04 H new ATOM 0 HB2 LEU A 68 -11.626 9.060 -21.938 1.00 20.32 H new ATOM 0 HB3 LEU A 68 -12.541 9.858 -20.674 1.00 20.32 H new ATOM 0 HG LEU A 68 -10.100 8.262 -19.945 1.00 32.01 H new ATOM 0 HD11 LEU A 68 -8.721 10.280 -20.244 1.00 22.20 H new ATOM 0 HD12 LEU A 68 -9.381 9.697 -21.790 1.00 22.20 H new ATOM 0 HD13 LEU A 68 -10.106 11.111 -20.990 1.00 22.20 H new ATOM 0 HD21 LEU A 68 -9.973 9.939 -18.144 1.00 12.43 H new ATOM 0 HD22 LEU A 68 -11.407 10.757 -18.810 1.00 12.43 H new ATOM 0 HD23 LEU A 68 -11.546 9.106 -18.159 1.00 12.43 H new ATOM 1080 N GLN A 69 -14.467 7.380 -22.152 1.00 30.54 N ATOM 1081 CA GLN A 69 -15.843 7.471 -22.624 1.00 40.52 C ATOM 1082 C GLN A 69 -16.820 6.991 -21.556 1.00 65.42 C ATOM 1083 O GLN A 69 -17.815 7.653 -21.266 1.00 12.31 O ATOM 1084 CB GLN A 69 -16.021 6.649 -23.902 1.00 44.11 C ATOM 1085 CG GLN A 69 -17.312 6.951 -24.646 1.00 10.43 C ATOM 1086 CD GLN A 69 -17.070 7.486 -26.043 1.00 2.33 C ATOM 1087 OE1 GLN A 69 -17.295 8.666 -26.317 1.00 21.22 O ATOM 1088 NE2 GLN A 69 -16.610 6.620 -26.937 1.00 71.42 N ATOM 0 H GLN A 69 -13.832 6.902 -22.791 1.00 30.54 H new ATOM 0 HA GLN A 69 -16.057 8.518 -22.840 1.00 40.52 H new ATOM 0 HB2 GLN A 69 -15.177 6.837 -24.565 1.00 44.11 H new ATOM 0 HB3 GLN A 69 -15.997 5.589 -23.648 1.00 44.11 H new ATOM 0 HG2 GLN A 69 -17.912 6.043 -24.708 1.00 10.43 H new ATOM 0 HG3 GLN A 69 -17.892 7.678 -24.078 1.00 10.43 H new ATOM 0 HE21 GLN A 69 -16.437 5.652 -26.667 1.00 71.42 H new ATOM 0 HE22 GLN A 69 -16.429 6.923 -27.894 1.00 71.42 H new ATOM 1097 N THR A 70 -16.528 5.831 -20.974 1.00 41.31 N ATOM 1098 CA THR A 70 -17.381 5.260 -19.940 1.00 2.44 C ATOM 1099 C THR A 70 -16.552 4.730 -18.775 1.00 31.03 C ATOM 1100 O THR A 70 -16.731 3.594 -18.339 1.00 25.10 O ATOM 1101 CB THR A 70 -18.252 4.118 -20.496 1.00 23.30 C ATOM 1102 OG1 THR A 70 -18.546 4.356 -21.877 1.00 73.52 O ATOM 1103 CG2 THR A 70 -19.547 3.993 -19.709 1.00 14.54 C ATOM 0 H THR A 70 -15.707 5.270 -21.202 1.00 41.31 H new ATOM 0 HA THR A 70 -18.029 6.062 -19.587 1.00 2.44 H new ATOM 0 HB THR A 70 -17.697 3.185 -20.399 1.00 23.30 H new ATOM 0 HG1 THR A 70 -19.099 3.625 -22.224 1.00 73.52 H new ATOM 0 HG21 THR A 70 -20.146 3.180 -20.120 1.00 14.54 H new ATOM 0 HG22 THR A 70 -19.319 3.783 -18.664 1.00 14.54 H new ATOM 0 HG23 THR A 70 -20.106 4.926 -19.778 1.00 14.54 H new ATOM 1111 N GLY A 71 -15.643 5.562 -18.274 1.00 1.35 N ATOM 1112 CA GLY A 71 -14.800 5.159 -17.163 1.00 54.13 C ATOM 1113 C GLY A 71 -15.419 5.485 -15.818 1.00 33.21 C ATOM 1114 O GLY A 71 -15.829 6.619 -15.574 1.00 40.32 O ATOM 0 H GLY A 71 -15.476 6.508 -18.618 1.00 1.35 H new ATOM 0 HA2 GLY A 71 -14.613 4.087 -17.223 1.00 54.13 H new ATOM 0 HA3 GLY A 71 -13.834 5.656 -17.245 1.00 54.13 H new ATOM 1118 N SER A 72 -15.488 4.486 -14.943 1.00 54.35 N ATOM 1119 CA SER A 72 -16.068 4.671 -13.618 1.00 24.23 C ATOM 1120 C SER A 72 -15.247 5.664 -12.800 1.00 74.31 C ATOM 1121 O SER A 72 -14.223 6.167 -13.262 1.00 11.43 O ATOM 1122 CB SER A 72 -16.148 3.331 -12.882 1.00 42.50 C ATOM 1123 OG SER A 72 -14.854 2.807 -12.635 1.00 52.04 O ATOM 0 H SER A 72 -15.150 3.542 -15.128 1.00 54.35 H new ATOM 0 HA SER A 72 -17.074 5.071 -13.741 1.00 24.23 H new ATOM 0 HB2 SER A 72 -16.677 3.462 -11.938 1.00 42.50 H new ATOM 0 HB3 SER A 72 -16.724 2.621 -13.475 1.00 42.50 H new ATOM 0 HG SER A 72 -14.932 1.952 -12.163 1.00 52.04 H new ATOM 1129 N GLU A 73 -15.706 5.941 -11.583 1.00 41.34 N ATOM 1130 CA GLU A 73 -15.016 6.875 -10.702 1.00 3.11 C ATOM 1131 C GLU A 73 -13.564 6.453 -10.492 1.00 12.23 C ATOM 1132 O GLU A 73 -12.689 7.290 -10.275 1.00 0.42 O ATOM 1133 CB GLU A 73 -15.733 6.964 -9.354 1.00 0.23 C ATOM 1134 CG GLU A 73 -15.850 8.381 -8.819 1.00 11.52 C ATOM 1135 CD GLU A 73 -17.254 8.939 -8.949 1.00 14.04 C ATOM 1136 OE1 GLU A 73 -17.589 9.458 -10.033 1.00 40.34 O ATOM 1137 OE2 GLU A 73 -18.018 8.856 -7.964 1.00 1.23 O ATOM 0 H GLU A 73 -16.552 5.532 -11.186 1.00 41.34 H new ATOM 0 HA GLU A 73 -15.026 7.857 -11.176 1.00 3.11 H new ATOM 0 HB2 GLU A 73 -16.732 6.539 -9.455 1.00 0.23 H new ATOM 0 HB3 GLU A 73 -15.198 6.353 -8.627 1.00 0.23 H new ATOM 0 HG2 GLU A 73 -15.553 8.395 -7.770 1.00 11.52 H new ATOM 0 HG3 GLU A 73 -15.155 9.027 -9.356 1.00 11.52 H new ATOM 1144 N GLU A 74 -13.318 5.148 -10.556 1.00 71.12 N ATOM 1145 CA GLU A 74 -11.974 4.614 -10.371 1.00 43.34 C ATOM 1146 C GLU A 74 -11.070 5.001 -11.538 1.00 31.11 C ATOM 1147 O GLU A 74 -9.904 5.350 -11.346 1.00 24.15 O ATOM 1148 CB GLU A 74 -12.020 3.092 -10.230 1.00 35.22 C ATOM 1149 CG GLU A 74 -12.346 2.620 -8.823 1.00 51.33 C ATOM 1150 CD GLU A 74 -12.256 1.113 -8.677 1.00 31.13 C ATOM 1151 OE1 GLU A 74 -12.968 0.403 -9.417 1.00 62.24 O ATOM 1152 OE2 GLU A 74 -11.474 0.645 -7.824 1.00 14.42 O ATOM 0 H GLU A 74 -14.032 4.442 -10.735 1.00 71.12 H new ATOM 0 HA GLU A 74 -11.563 5.043 -9.457 1.00 43.34 H new ATOM 0 HB2 GLU A 74 -12.765 2.694 -10.919 1.00 35.22 H new ATOM 0 HB3 GLU A 74 -11.057 2.679 -10.529 1.00 35.22 H new ATOM 0 HG2 GLU A 74 -11.661 3.091 -8.118 1.00 51.33 H new ATOM 0 HG3 GLU A 74 -13.351 2.947 -8.558 1.00 51.33 H new ATOM 1159 N LEU A 75 -11.615 4.937 -12.747 1.00 71.53 N ATOM 1160 CA LEU A 75 -10.859 5.280 -13.946 1.00 61.15 C ATOM 1161 C LEU A 75 -10.497 6.761 -13.958 1.00 4.25 C ATOM 1162 O LEU A 75 -9.388 7.137 -14.338 1.00 21.34 O ATOM 1163 CB LEU A 75 -11.665 4.931 -15.199 1.00 62.51 C ATOM 1164 CG LEU A 75 -10.864 4.778 -16.493 1.00 21.34 C ATOM 1165 CD1 LEU A 75 -11.052 3.386 -17.076 1.00 31.01 C ATOM 1166 CD2 LEU A 75 -11.272 5.840 -17.502 1.00 2.52 C ATOM 0 H LEU A 75 -12.578 4.651 -12.923 1.00 71.53 H new ATOM 0 HA LEU A 75 -9.936 4.700 -13.941 1.00 61.15 H new ATOM 0 HB2 LEU A 75 -12.200 3.999 -15.014 1.00 62.51 H new ATOM 0 HB3 LEU A 75 -12.417 5.706 -15.350 1.00 62.51 H new ATOM 0 HG LEU A 75 -9.807 4.913 -16.261 1.00 21.34 H new ATOM 0 HD11 LEU A 75 -10.475 3.296 -17.996 1.00 31.01 H new ATOM 0 HD12 LEU A 75 -10.709 2.641 -16.358 1.00 31.01 H new ATOM 0 HD13 LEU A 75 -12.108 3.222 -17.292 1.00 31.01 H new ATOM 0 HD21 LEU A 75 -10.692 5.715 -18.416 1.00 2.52 H new ATOM 0 HD22 LEU A 75 -12.333 5.738 -17.729 1.00 2.52 H new ATOM 0 HD23 LEU A 75 -11.084 6.829 -17.085 1.00 2.52 H new ATOM 1178 N ARG A 76 -11.439 7.598 -13.536 1.00 32.12 N ATOM 1179 CA ARG A 76 -11.219 9.039 -13.496 1.00 44.01 C ATOM 1180 C ARG A 76 -10.061 9.387 -12.565 1.00 4.04 C ATOM 1181 O ARG A 76 -9.089 10.019 -12.977 1.00 0.01 O ATOM 1182 CB ARG A 76 -12.489 9.758 -13.039 1.00 31.13 C ATOM 1183 CG ARG A 76 -12.799 11.014 -13.836 1.00 43.40 C ATOM 1184 CD ARG A 76 -12.411 12.270 -13.070 1.00 21.24 C ATOM 1185 NE ARG A 76 -12.424 13.456 -13.921 1.00 10.13 N ATOM 1186 CZ ARG A 76 -13.536 14.020 -14.379 1.00 32.15 C ATOM 1187 NH1 ARG A 76 -14.720 13.508 -14.069 1.00 23.22 N ATOM 1188 NH2 ARG A 76 -13.467 15.099 -15.149 1.00 62.31 N ATOM 0 H ARG A 76 -12.362 7.303 -13.217 1.00 32.12 H new ATOM 0 HA ARG A 76 -10.965 9.370 -14.503 1.00 44.01 H new ATOM 0 HB2 ARG A 76 -13.332 9.072 -13.116 1.00 31.13 H new ATOM 0 HB3 ARG A 76 -12.388 10.022 -11.986 1.00 31.13 H new ATOM 0 HG2 ARG A 76 -12.264 10.985 -14.785 1.00 43.40 H new ATOM 0 HG3 ARG A 76 -13.863 11.044 -14.071 1.00 43.40 H new ATOM 0 HD2 ARG A 76 -13.099 12.414 -12.237 1.00 21.24 H new ATOM 0 HD3 ARG A 76 -11.416 12.141 -12.643 1.00 21.24 H new ATOM 0 HE ARG A 76 -11.530 13.875 -14.178 1.00 10.13 H new ATOM 0 HH11 ARG A 76 -14.778 12.679 -13.477 1.00 23.22 H new ATOM 0 HH12 ARG A 76 -15.572 13.943 -14.422 1.00 23.22 H new ATOM 0 HH21 ARG A 76 -12.559 15.496 -15.390 1.00 62.31 H new ATOM 0 HH22 ARG A 76 -14.322 15.531 -15.500 1.00 62.31 H new ATOM 1202 N SER A 77 -10.173 8.969 -11.308 1.00 32.01 N ATOM 1203 CA SER A 77 -9.138 9.240 -10.317 1.00 33.20 C ATOM 1204 C SER A 77 -7.765 8.833 -10.841 1.00 65.03 C ATOM 1205 O SER A 77 -6.777 9.542 -10.643 1.00 3.02 O ATOM 1206 CB SER A 77 -9.442 8.495 -9.015 1.00 62.34 C ATOM 1207 OG SER A 77 -10.407 9.188 -8.244 1.00 73.34 O ATOM 0 H SER A 77 -10.970 8.441 -10.952 1.00 32.01 H new ATOM 0 HA SER A 77 -9.129 10.312 -10.120 1.00 33.20 H new ATOM 0 HB2 SER A 77 -9.805 7.493 -9.242 1.00 62.34 H new ATOM 0 HB3 SER A 77 -8.525 8.378 -8.437 1.00 62.34 H new ATOM 0 HG SER A 77 -10.585 8.691 -7.419 1.00 73.34 H new ATOM 1213 N LEU A 78 -7.710 7.688 -11.512 1.00 11.21 N ATOM 1214 CA LEU A 78 -6.457 7.185 -12.066 1.00 51.13 C ATOM 1215 C LEU A 78 -5.893 8.152 -13.102 1.00 13.25 C ATOM 1216 O LEU A 78 -4.751 8.599 -12.991 1.00 51.50 O ATOM 1217 CB LEU A 78 -6.673 5.809 -12.699 1.00 50.51 C ATOM 1218 CG LEU A 78 -6.155 4.614 -11.900 1.00 61.43 C ATOM 1219 CD1 LEU A 78 -4.672 4.774 -11.602 1.00 23.04 C ATOM 1220 CD2 LEU A 78 -6.946 4.450 -10.611 1.00 1.44 C ATOM 0 H LEU A 78 -8.518 7.090 -11.686 1.00 11.21 H new ATOM 0 HA LEU A 78 -5.738 7.095 -11.252 1.00 51.13 H new ATOM 0 HB2 LEU A 78 -7.741 5.672 -12.867 1.00 50.51 H new ATOM 0 HB3 LEU A 78 -6.193 5.802 -13.677 1.00 50.51 H new ATOM 0 HG LEU A 78 -6.289 3.714 -12.501 1.00 61.43 H new ATOM 0 HD11 LEU A 78 -4.320 3.914 -11.032 1.00 23.04 H new ATOM 0 HD12 LEU A 78 -4.118 4.840 -12.538 1.00 23.04 H new ATOM 0 HD13 LEU A 78 -4.514 5.683 -11.021 1.00 23.04 H new ATOM 0 HD21 LEU A 78 -6.563 3.594 -10.055 1.00 1.44 H new ATOM 0 HD22 LEU A 78 -6.845 5.351 -10.005 1.00 1.44 H new ATOM 0 HD23 LEU A 78 -7.998 4.288 -10.848 1.00 1.44 H new ATOM 1232 N TYR A 79 -6.701 8.472 -14.107 1.00 75.41 N ATOM 1233 CA TYR A 79 -6.283 9.386 -15.163 1.00 72.54 C ATOM 1234 C TYR A 79 -5.729 10.680 -14.575 1.00 12.41 C ATOM 1235 O TYR A 79 -4.601 11.074 -14.865 1.00 61.25 O ATOM 1236 CB TYR A 79 -7.457 9.695 -16.093 1.00 64.11 C ATOM 1237 CG TYR A 79 -7.034 10.174 -17.463 1.00 62.15 C ATOM 1238 CD1 TYR A 79 -6.254 9.374 -18.290 1.00 0.22 C ATOM 1239 CD2 TYR A 79 -7.414 11.426 -17.931 1.00 64.34 C ATOM 1240 CE1 TYR A 79 -5.864 9.808 -19.542 1.00 15.20 C ATOM 1241 CE2 TYR A 79 -7.030 11.867 -19.183 1.00 3.34 C ATOM 1242 CZ TYR A 79 -6.255 11.055 -19.985 1.00 21.12 C ATOM 1243 OH TYR A 79 -5.870 11.491 -21.232 1.00 0.32 O ATOM 0 H TYR A 79 -7.649 8.112 -14.212 1.00 75.41 H new ATOM 0 HA TYR A 79 -5.493 8.902 -15.737 1.00 72.54 H new ATOM 0 HB2 TYR A 79 -8.068 8.799 -16.203 1.00 64.11 H new ATOM 0 HB3 TYR A 79 -8.086 10.455 -15.630 1.00 64.11 H new ATOM 0 HD1 TYR A 79 -5.948 8.397 -17.948 1.00 0.22 H new ATOM 0 HD2 TYR A 79 -8.020 12.065 -17.306 1.00 64.34 H new ATOM 0 HE1 TYR A 79 -5.256 9.175 -20.171 1.00 15.20 H new ATOM 0 HE2 TYR A 79 -7.335 12.842 -19.532 1.00 3.34 H new ATOM 0 HH TYR A 79 -6.230 12.389 -21.390 1.00 0.32 H new ATOM 1253 N ASN A 80 -6.534 11.338 -13.747 1.00 11.14 N ATOM 1254 CA ASN A 80 -6.126 12.589 -13.117 1.00 32.54 C ATOM 1255 C ASN A 80 -4.758 12.445 -12.458 1.00 23.52 C ATOM 1256 O ASN A 80 -3.833 13.204 -12.748 1.00 71.43 O ATOM 1257 CB ASN A 80 -7.162 13.022 -12.078 1.00 51.41 C ATOM 1258 CG ASN A 80 -8.281 13.846 -12.687 1.00 20.21 C ATOM 1259 OD1 ASN A 80 -8.675 14.877 -12.142 1.00 22.15 O ATOM 1260 ND2 ASN A 80 -8.799 13.392 -13.822 1.00 43.31 N ATOM 0 H ASN A 80 -7.472 11.026 -13.497 1.00 11.14 H new ATOM 0 HA ASN A 80 -6.058 13.352 -13.892 1.00 32.54 H new ATOM 0 HB2 ASN A 80 -7.584 12.138 -11.599 1.00 51.41 H new ATOM 0 HB3 ASN A 80 -6.670 13.603 -11.298 1.00 51.41 H new ATOM 0 HD21 ASN A 80 -9.555 13.903 -14.278 1.00 43.31 H new ATOM 0 HD22 ASN A 80 -8.441 12.532 -14.238 1.00 43.31 H new ATOM 1267 N THR A 81 -4.636 11.465 -11.567 1.00 53.14 N ATOM 1268 CA THR A 81 -3.382 11.221 -10.866 1.00 44.13 C ATOM 1269 C THR A 81 -2.247 10.949 -11.847 1.00 14.04 C ATOM 1270 O THR A 81 -1.250 11.671 -11.873 1.00 30.34 O ATOM 1271 CB THR A 81 -3.503 10.031 -9.896 1.00 62.01 C ATOM 1272 OG1 THR A 81 -4.638 10.209 -9.041 1.00 1.30 O ATOM 1273 CG2 THR A 81 -2.244 9.889 -9.054 1.00 35.34 C ATOM 0 H THR A 81 -5.391 10.828 -11.314 1.00 53.14 H new ATOM 0 HA THR A 81 -3.158 12.123 -10.297 1.00 44.13 H new ATOM 0 HB THR A 81 -3.631 9.123 -10.485 1.00 62.01 H new ATOM 0 HG1 THR A 81 -5.455 9.978 -9.530 1.00 1.30 H new ATOM 0 HG21 THR A 81 -2.353 9.042 -8.377 1.00 35.34 H new ATOM 0 HG22 THR A 81 -1.387 9.724 -9.706 1.00 35.34 H new ATOM 0 HG23 THR A 81 -2.089 10.799 -8.475 1.00 35.34 H new ATOM 1281 N ILE A 82 -2.406 9.905 -12.653 1.00 73.20 N ATOM 1282 CA ILE A 82 -1.394 9.539 -13.637 1.00 15.33 C ATOM 1283 C ILE A 82 -0.922 10.760 -14.418 1.00 44.13 C ATOM 1284 O ILE A 82 0.276 10.946 -14.634 1.00 51.20 O ATOM 1285 CB ILE A 82 -1.926 8.484 -14.626 1.00 12.44 C ATOM 1286 CG1 ILE A 82 -2.365 7.226 -13.876 1.00 0.10 C ATOM 1287 CG2 ILE A 82 -0.864 8.148 -15.662 1.00 35.10 C ATOM 1288 CD1 ILE A 82 -3.458 6.453 -14.581 1.00 22.41 C ATOM 0 H ILE A 82 -3.225 9.298 -12.644 1.00 73.20 H new ATOM 0 HA ILE A 82 -0.554 9.116 -13.085 1.00 15.33 H new ATOM 0 HB ILE A 82 -2.793 8.895 -15.143 1.00 12.44 H new ATOM 0 HG12 ILE A 82 -1.502 6.575 -13.738 1.00 0.10 H new ATOM 0 HG13 ILE A 82 -2.713 7.508 -12.882 1.00 0.10 H new ATOM 0 HG21 ILE A 82 -1.254 7.401 -16.354 1.00 35.10 H new ATOM 0 HG22 ILE A 82 -0.596 9.049 -16.214 1.00 35.10 H new ATOM 0 HG23 ILE A 82 0.020 7.752 -15.162 1.00 35.10 H new ATOM 0 HD11 ILE A 82 -3.719 5.574 -13.992 1.00 22.41 H new ATOM 0 HD12 ILE A 82 -4.337 7.088 -14.695 1.00 22.41 H new ATOM 0 HD13 ILE A 82 -3.106 6.140 -15.564 1.00 22.41 H new ATOM 1300 N ALA A 83 -1.870 11.590 -14.839 1.00 43.34 N ATOM 1301 CA ALA A 83 -1.551 12.796 -15.593 1.00 61.33 C ATOM 1302 C ALA A 83 -0.461 13.605 -14.899 1.00 22.42 C ATOM 1303 O ALA A 83 0.526 13.998 -15.522 1.00 2.14 O ATOM 1304 CB ALA A 83 -2.798 13.644 -15.785 1.00 55.32 C ATOM 0 H ALA A 83 -2.866 11.449 -14.671 1.00 43.34 H new ATOM 0 HA ALA A 83 -1.176 12.494 -16.571 1.00 61.33 H new ATOM 0 HB1 ALA A 83 -2.544 14.541 -16.350 1.00 55.32 H new ATOM 0 HB2 ALA A 83 -3.547 13.071 -16.331 1.00 55.32 H new ATOM 0 HB3 ALA A 83 -3.198 13.929 -14.812 1.00 55.32 H new ATOM 1310 N VAL A 84 -0.645 13.851 -13.605 1.00 74.33 N ATOM 1311 CA VAL A 84 0.323 14.613 -12.826 1.00 55.31 C ATOM 1312 C VAL A 84 1.653 13.876 -12.730 1.00 62.43 C ATOM 1313 O VAL A 84 2.715 14.456 -12.958 1.00 25.00 O ATOM 1314 CB VAL A 84 -0.199 14.897 -11.405 1.00 51.25 C ATOM 1315 CG1 VAL A 84 0.851 15.634 -10.588 1.00 64.53 C ATOM 1316 CG2 VAL A 84 -1.496 15.690 -11.463 1.00 1.04 C ATOM 0 H VAL A 84 -1.456 13.533 -13.075 1.00 74.33 H new ATOM 0 HA VAL A 84 0.473 15.560 -13.345 1.00 55.31 H new ATOM 0 HB VAL A 84 -0.404 13.945 -10.914 1.00 51.25 H new ATOM 0 HG11 VAL A 84 0.464 15.826 -9.587 1.00 64.53 H new ATOM 0 HG12 VAL A 84 1.752 15.024 -10.518 1.00 64.53 H new ATOM 0 HG13 VAL A 84 1.090 16.581 -11.072 1.00 64.53 H new ATOM 0 HG21 VAL A 84 -1.851 15.882 -10.450 1.00 1.04 H new ATOM 0 HG22 VAL A 84 -1.320 16.638 -11.972 1.00 1.04 H new ATOM 0 HG23 VAL A 84 -2.247 15.119 -12.009 1.00 1.04 H new ATOM 1326 N LEU A 85 1.589 12.593 -12.391 1.00 62.52 N ATOM 1327 CA LEU A 85 2.789 11.774 -12.264 1.00 71.34 C ATOM 1328 C LEU A 85 3.638 11.852 -13.529 1.00 72.34 C ATOM 1329 O LEU A 85 4.846 11.614 -13.495 1.00 74.42 O ATOM 1330 CB LEU A 85 2.411 10.319 -11.980 1.00 74.41 C ATOM 1331 CG LEU A 85 3.370 9.539 -11.081 1.00 62.32 C ATOM 1332 CD1 LEU A 85 2.613 8.871 -9.944 1.00 62.35 C ATOM 1333 CD2 LEU A 85 4.139 8.505 -11.892 1.00 75.25 C ATOM 0 H LEU A 85 0.718 12.097 -12.199 1.00 62.52 H new ATOM 0 HA LEU A 85 3.375 12.160 -11.430 1.00 71.34 H new ATOM 0 HB2 LEU A 85 1.422 10.305 -11.521 1.00 74.41 H new ATOM 0 HB3 LEU A 85 2.329 9.794 -12.932 1.00 74.41 H new ATOM 0 HG LEU A 85 4.085 10.240 -10.651 1.00 62.32 H new ATOM 0 HD11 LEU A 85 3.313 8.321 -9.315 1.00 62.35 H new ATOM 0 HD12 LEU A 85 2.109 9.631 -9.347 1.00 62.35 H new ATOM 0 HD13 LEU A 85 1.874 8.182 -10.354 1.00 62.35 H new ATOM 0 HD21 LEU A 85 4.817 7.959 -11.236 1.00 75.25 H new ATOM 0 HD22 LEU A 85 3.438 7.808 -12.351 1.00 75.25 H new ATOM 0 HD23 LEU A 85 4.713 9.007 -12.671 1.00 75.25 H new ATOM 1345 N TYR A 86 2.999 12.189 -14.644 1.00 35.32 N ATOM 1346 CA TYR A 86 3.695 12.298 -15.921 1.00 15.10 C ATOM 1347 C TYR A 86 4.480 13.604 -16.003 1.00 14.51 C ATOM 1348 O TYR A 86 5.644 13.618 -16.407 1.00 35.24 O ATOM 1349 CB TYR A 86 2.698 12.216 -17.078 1.00 62.10 C ATOM 1350 CG TYR A 86 3.321 12.462 -18.433 1.00 3.14 C ATOM 1351 CD1 TYR A 86 4.077 11.479 -19.061 1.00 44.41 C ATOM 1352 CD2 TYR A 86 3.155 13.678 -19.086 1.00 74.41 C ATOM 1353 CE1 TYR A 86 4.649 11.700 -20.299 1.00 12.43 C ATOM 1354 CE2 TYR A 86 3.721 13.906 -20.325 1.00 44.15 C ATOM 1355 CZ TYR A 86 4.469 12.915 -20.927 1.00 72.11 C ATOM 1356 OH TYR A 86 5.036 13.138 -22.160 1.00 54.21 O ATOM 0 H TYR A 86 2.000 12.391 -14.689 1.00 35.32 H new ATOM 0 HA TYR A 86 4.397 11.467 -15.996 1.00 15.10 H new ATOM 0 HB2 TYR A 86 2.232 11.231 -17.075 1.00 62.10 H new ATOM 0 HB3 TYR A 86 1.904 12.945 -16.915 1.00 62.10 H new ATOM 0 HD1 TYR A 86 4.220 10.526 -18.573 1.00 44.41 H new ATOM 0 HD2 TYR A 86 2.574 14.458 -18.616 1.00 74.41 H new ATOM 0 HE1 TYR A 86 5.234 10.926 -20.773 1.00 12.43 H new ATOM 0 HE2 TYR A 86 3.579 14.855 -20.820 1.00 44.15 H new ATOM 0 HH TYR A 86 4.813 14.043 -22.464 1.00 54.21 H new ATOM 1366 N CYS A 87 3.835 14.699 -15.617 1.00 2.35 N ATOM 1367 CA CYS A 87 4.472 16.012 -15.645 1.00 73.11 C ATOM 1368 C CYS A 87 5.663 16.059 -14.695 1.00 1.50 C ATOM 1369 O CYS A 87 6.566 16.880 -14.855 1.00 44.31 O ATOM 1370 CB CYS A 87 3.463 17.099 -15.273 1.00 21.21 C ATOM 1371 SG CYS A 87 3.194 17.278 -13.494 1.00 74.21 S ATOM 0 H CYS A 87 2.872 14.705 -15.281 1.00 2.35 H new ATOM 0 HA CYS A 87 4.832 16.192 -16.658 1.00 73.11 H new ATOM 0 HB2 CYS A 87 3.807 18.052 -15.675 1.00 21.21 H new ATOM 0 HB3 CYS A 87 2.510 16.875 -15.753 1.00 21.21 H new ATOM 0 HG CYS A 87 2.883 16.123 -12.984 1.00 74.21 H new ATOM 1377 N VAL A 88 5.658 15.174 -13.703 1.00 24.35 N ATOM 1378 CA VAL A 88 6.738 15.115 -12.725 1.00 22.11 C ATOM 1379 C VAL A 88 8.012 14.553 -13.347 1.00 30.54 C ATOM 1380 O VAL A 88 9.119 14.966 -13.001 1.00 72.01 O ATOM 1381 CB VAL A 88 6.349 14.252 -11.510 1.00 14.51 C ATOM 1382 CG1 VAL A 88 7.499 14.178 -10.518 1.00 20.25 C ATOM 1383 CG2 VAL A 88 5.096 14.803 -10.846 1.00 43.14 C ATOM 0 H VAL A 88 4.918 14.488 -13.555 1.00 24.35 H new ATOM 0 HA VAL A 88 6.920 16.137 -12.392 1.00 22.11 H new ATOM 0 HB VAL A 88 6.135 13.241 -11.857 1.00 14.51 H new ATOM 0 HG11 VAL A 88 7.206 13.564 -9.666 1.00 20.25 H new ATOM 0 HG12 VAL A 88 8.369 13.735 -11.002 1.00 20.25 H new ATOM 0 HG13 VAL A 88 7.747 15.182 -10.173 1.00 20.25 H new ATOM 0 HG21 VAL A 88 4.835 14.182 -9.989 1.00 43.14 H new ATOM 0 HG22 VAL A 88 5.281 15.824 -10.511 1.00 43.14 H new ATOM 0 HG23 VAL A 88 4.273 14.799 -11.561 1.00 43.14 H new ATOM 1393 N HIS A 89 7.847 13.608 -14.267 1.00 64.04 N ATOM 1394 CA HIS A 89 8.984 12.988 -14.939 1.00 2.11 C ATOM 1395 C HIS A 89 9.380 13.784 -16.180 1.00 70.21 C ATOM 1396 O HIS A 89 10.579 14.007 -16.348 1.00 54.33 O ATOM 1397 CB HIS A 89 8.652 11.548 -15.328 1.00 72.43 C ATOM 1398 CG HIS A 89 8.447 10.643 -14.152 1.00 73.53 C ATOM 1399 ND1 HIS A 89 9.360 10.525 -13.125 1.00 75.43 N ATOM 1400 CD2 HIS A 89 7.426 9.808 -13.844 1.00 51.21 C ATOM 1401 CE1 HIS A 89 8.908 9.657 -12.237 1.00 23.11 C ATOM 1402 NE2 HIS A 89 7.736 9.208 -12.650 1.00 4.34 N ATOM 0 H HIS A 89 6.937 13.255 -14.564 1.00 64.04 H new ATOM 0 HA HIS A 89 9.825 12.983 -14.246 1.00 2.11 H new ATOM 0 HB2 HIS A 89 7.750 11.544 -15.941 1.00 72.43 H new ATOM 0 HB3 HIS A 89 9.458 11.152 -15.945 1.00 72.43 H new ATOM 0 HD1 HIS A 89 10.245 11.028 -13.061 1.00 75.43 H new ATOM 0 HD2 HIS A 89 6.533 9.645 -14.430 1.00 51.21 H new ATOM 0 HE1 HIS A 89 9.411 9.364 -11.327 1.00 23.11 H new ATOM 1411 N GLN A 90 8.440 14.201 -17.022 1.00 22.54 N ATOM 1412 CA GLN A 90 8.771 14.963 -18.220 1.00 11.01 C ATOM 1413 C GLN A 90 9.114 16.407 -17.869 1.00 64.32 C ATOM 1414 O GLN A 90 9.476 17.199 -18.740 1.00 21.34 O ATOM 1415 CB GLN A 90 7.606 14.929 -19.210 1.00 33.21 C ATOM 1416 CG GLN A 90 7.762 13.880 -20.299 1.00 2.44 C ATOM 1417 CD GLN A 90 9.026 14.071 -21.114 1.00 22.50 C ATOM 1418 OE1 GLN A 90 9.154 15.037 -21.867 1.00 0.12 O ATOM 1419 NE2 GLN A 90 9.970 13.148 -20.967 1.00 71.41 N ATOM 0 H GLN A 90 7.443 14.024 -16.897 1.00 22.54 H new ATOM 0 HA GLN A 90 9.645 14.503 -18.682 1.00 11.01 H new ATOM 0 HB2 GLN A 90 6.682 14.739 -18.664 1.00 33.21 H new ATOM 0 HB3 GLN A 90 7.506 15.910 -19.674 1.00 33.21 H new ATOM 0 HG2 GLN A 90 7.773 12.889 -19.845 1.00 2.44 H new ATOM 0 HG3 GLN A 90 6.897 13.918 -20.962 1.00 2.44 H new ATOM 0 HE21 GLN A 90 9.822 12.364 -20.332 1.00 71.41 H new ATOM 0 HE22 GLN A 90 10.843 13.224 -21.489 1.00 71.41 H new ATOM 1428 N ARG A 91 8.998 16.743 -16.589 1.00 12.11 N ATOM 1429 CA ARG A 91 9.294 18.092 -16.123 1.00 12.40 C ATOM 1430 C ARG A 91 8.347 19.107 -16.759 1.00 4.44 C ATOM 1431 O ARG A 91 8.777 20.157 -17.236 1.00 43.54 O ATOM 1432 CB ARG A 91 10.744 18.460 -16.447 1.00 31.25 C ATOM 1433 CG ARG A 91 11.331 19.502 -15.509 1.00 43.02 C ATOM 1434 CD ARG A 91 12.170 20.521 -16.264 1.00 73.13 C ATOM 1435 NE ARG A 91 13.434 19.955 -16.727 1.00 73.31 N ATOM 1436 CZ ARG A 91 14.493 19.783 -15.943 1.00 70.15 C ATOM 1437 NH1 ARG A 91 14.440 20.132 -14.666 1.00 34.23 N ATOM 1438 NH2 ARG A 91 15.609 19.261 -16.438 1.00 75.40 N ATOM 0 H ARG A 91 8.701 16.099 -15.856 1.00 12.11 H new ATOM 0 HA ARG A 91 9.153 18.115 -15.042 1.00 12.40 H new ATOM 0 HB2 ARG A 91 11.357 17.559 -16.405 1.00 31.25 H new ATOM 0 HB3 ARG A 91 10.796 18.834 -17.470 1.00 31.25 H new ATOM 0 HG2 ARG A 91 10.526 20.012 -14.980 1.00 43.02 H new ATOM 0 HG3 ARG A 91 11.946 19.010 -14.755 1.00 43.02 H new ATOM 0 HD2 ARG A 91 11.605 20.894 -17.119 1.00 73.13 H new ATOM 0 HD3 ARG A 91 12.371 21.375 -15.618 1.00 73.13 H new ATOM 0 HE ARG A 91 13.508 19.677 -17.705 1.00 73.31 H new ATOM 0 HH11 ARG A 91 13.585 20.534 -14.282 1.00 34.23 H new ATOM 0 HH12 ARG A 91 15.255 19.999 -14.067 1.00 34.23 H new ATOM 0 HH21 ARG A 91 15.654 18.992 -17.421 1.00 75.40 H new ATOM 0 HH22 ARG A 91 16.421 19.129 -15.835 1.00 75.40 H new ATOM 1452 N ILE A 92 7.058 18.785 -16.760 1.00 3.32 N ATOM 1453 CA ILE A 92 6.052 19.668 -17.336 1.00 14.32 C ATOM 1454 C ILE A 92 5.409 20.542 -16.264 1.00 32.30 C ATOM 1455 O ILE A 92 4.646 20.056 -15.429 1.00 14.15 O ATOM 1456 CB ILE A 92 4.951 18.871 -18.061 1.00 23.35 C ATOM 1457 CG1 ILE A 92 5.546 18.088 -19.232 1.00 64.54 C ATOM 1458 CG2 ILE A 92 3.851 19.805 -18.544 1.00 42.04 C ATOM 1459 CD1 ILE A 92 4.693 16.919 -19.673 1.00 64.41 C ATOM 0 H ILE A 92 6.686 17.920 -16.369 1.00 3.32 H new ATOM 0 HA ILE A 92 6.566 20.302 -18.059 1.00 14.32 H new ATOM 0 HB ILE A 92 4.514 18.161 -17.359 1.00 23.35 H new ATOM 0 HG12 ILE A 92 5.687 18.763 -20.076 1.00 64.54 H new ATOM 0 HG13 ILE A 92 6.533 17.721 -18.949 1.00 64.54 H new ATOM 0 HG21 ILE A 92 3.081 19.227 -19.054 1.00 42.04 H new ATOM 0 HG22 ILE A 92 3.412 20.322 -17.691 1.00 42.04 H new ATOM 0 HG23 ILE A 92 4.272 20.537 -19.234 1.00 42.04 H new ATOM 0 HD11 ILE A 92 5.176 16.410 -20.507 1.00 64.41 H new ATOM 0 HD12 ILE A 92 4.573 16.223 -18.843 1.00 64.41 H new ATOM 0 HD13 ILE A 92 3.714 17.281 -19.987 1.00 64.41 H new ATOM 1471 N ASP A 93 5.721 21.833 -16.294 1.00 34.22 N ATOM 1472 CA ASP A 93 5.172 22.776 -15.327 1.00 72.42 C ATOM 1473 C ASP A 93 3.647 22.732 -15.332 1.00 31.44 C ATOM 1474 O ASP A 93 3.016 22.835 -16.384 1.00 14.43 O ATOM 1475 CB ASP A 93 5.655 24.194 -15.634 1.00 33.24 C ATOM 1476 CG ASP A 93 5.988 24.976 -14.378 1.00 72.43 C ATOM 1477 OD1 ASP A 93 5.051 25.504 -13.743 1.00 60.44 O ATOM 1478 OD2 ASP A 93 7.184 25.061 -14.032 1.00 1.21 O ATOM 0 H ASP A 93 6.352 22.251 -16.978 1.00 34.22 H new ATOM 0 HA ASP A 93 5.523 22.488 -14.336 1.00 72.42 H new ATOM 0 HB2 ASP A 93 6.537 24.144 -16.272 1.00 33.24 H new ATOM 0 HB3 ASP A 93 4.885 24.724 -16.195 1.00 33.24 H new ATOM 1483 N VAL A 94 3.060 22.576 -14.148 1.00 41.42 N ATOM 1484 CA VAL A 94 1.610 22.519 -14.017 1.00 14.25 C ATOM 1485 C VAL A 94 1.148 23.192 -12.729 1.00 5.33 C ATOM 1486 O VAL A 94 1.679 22.925 -11.650 1.00 15.04 O ATOM 1487 CB VAL A 94 1.102 21.065 -14.032 1.00 34.42 C ATOM 1488 CG1 VAL A 94 1.406 20.407 -15.370 1.00 25.11 C ATOM 1489 CG2 VAL A 94 1.715 20.273 -12.888 1.00 5.05 C ATOM 0 H VAL A 94 3.567 22.487 -13.267 1.00 41.42 H new ATOM 0 HA VAL A 94 1.194 23.051 -14.872 1.00 14.25 H new ATOM 0 HB VAL A 94 0.021 21.076 -13.896 1.00 34.42 H new ATOM 0 HG11 VAL A 94 1.040 19.380 -15.362 1.00 25.11 H new ATOM 0 HG12 VAL A 94 0.913 20.962 -16.169 1.00 25.11 H new ATOM 0 HG13 VAL A 94 2.483 20.407 -15.539 1.00 25.11 H new ATOM 0 HG21 VAL A 94 1.344 19.248 -12.915 1.00 5.05 H new ATOM 0 HG22 VAL A 94 2.800 20.269 -12.989 1.00 5.05 H new ATOM 0 HG23 VAL A 94 1.441 20.733 -11.939 1.00 5.05 H new ATOM 1499 N LYS A 95 0.156 24.069 -12.849 1.00 22.54 N ATOM 1500 CA LYS A 95 -0.380 24.781 -11.694 1.00 43.03 C ATOM 1501 C LYS A 95 -1.285 23.874 -10.868 1.00 2.02 C ATOM 1502 O LYS A 95 -1.651 24.208 -9.741 1.00 74.42 O ATOM 1503 CB LYS A 95 -1.156 26.018 -12.149 1.00 11.02 C ATOM 1504 CG LYS A 95 -0.663 27.311 -11.522 1.00 64.02 C ATOM 1505 CD LYS A 95 -1.710 28.409 -11.611 1.00 5.30 C ATOM 1506 CE LYS A 95 -1.166 29.641 -12.317 1.00 42.41 C ATOM 1507 NZ LYS A 95 -2.248 30.602 -12.669 1.00 12.22 N ATOM 0 H LYS A 95 -0.293 24.304 -13.734 1.00 22.54 H new ATOM 0 HA LYS A 95 0.457 25.094 -11.070 1.00 43.03 H new ATOM 0 HB2 LYS A 95 -1.087 26.101 -13.234 1.00 11.02 H new ATOM 0 HB3 LYS A 95 -2.210 25.885 -11.906 1.00 11.02 H new ATOM 0 HG2 LYS A 95 -0.407 27.135 -10.477 1.00 64.02 H new ATOM 0 HG3 LYS A 95 0.249 27.635 -12.024 1.00 64.02 H new ATOM 0 HD2 LYS A 95 -2.584 28.038 -12.146 1.00 5.30 H new ATOM 0 HD3 LYS A 95 -2.042 28.679 -10.608 1.00 5.30 H new ATOM 0 HE2 LYS A 95 -0.436 30.135 -11.675 1.00 42.41 H new ATOM 0 HE3 LYS A 95 -0.641 29.338 -13.223 1.00 42.41 H new ATOM 0 HZ1 LYS A 95 -1.836 31.428 -13.149 1.00 12.22 H new ATOM 0 HZ2 LYS A 95 -2.931 30.139 -13.302 1.00 12.22 H new ATOM 0 HZ3 LYS A 95 -2.733 30.911 -11.803 1.00 12.22 H new ATOM 1521 N ASP A 96 -1.642 22.727 -11.434 1.00 73.02 N ATOM 1522 CA ASP A 96 -2.503 21.770 -10.748 1.00 42.12 C ATOM 1523 C ASP A 96 -2.823 20.582 -11.650 1.00 53.53 C ATOM 1524 O ASP A 96 -2.340 20.499 -12.781 1.00 35.25 O ATOM 1525 CB ASP A 96 -3.798 22.449 -10.299 1.00 23.11 C ATOM 1526 CG ASP A 96 -4.360 23.382 -11.354 1.00 22.01 C ATOM 1527 OD1 ASP A 96 -4.723 22.894 -12.444 1.00 52.53 O ATOM 1528 OD2 ASP A 96 -4.436 24.599 -11.088 1.00 10.32 O ATOM 0 H ASP A 96 -1.349 22.437 -12.367 1.00 73.02 H new ATOM 0 HA ASP A 96 -1.970 21.403 -9.871 1.00 42.12 H new ATOM 0 HB2 ASP A 96 -4.540 21.687 -10.060 1.00 23.11 H new ATOM 0 HB3 ASP A 96 -3.612 23.011 -9.384 1.00 23.11 H new ATOM 1533 N THR A 97 -3.640 19.664 -11.144 1.00 61.22 N ATOM 1534 CA THR A 97 -4.023 18.481 -11.903 1.00 33.41 C ATOM 1535 C THR A 97 -4.946 18.843 -13.060 1.00 40.22 C ATOM 1536 O THR A 97 -5.265 18.003 -13.902 1.00 0.45 O ATOM 1537 CB THR A 97 -4.725 17.442 -11.007 1.00 75.05 C ATOM 1538 OG1 THR A 97 -3.953 17.214 -9.824 1.00 32.23 O ATOM 1539 CG2 THR A 97 -4.922 16.130 -11.752 1.00 32.03 C ATOM 0 H THR A 97 -4.049 19.717 -10.211 1.00 61.22 H new ATOM 0 HA THR A 97 -3.104 18.049 -12.298 1.00 33.41 H new ATOM 0 HB THR A 97 -5.704 17.835 -10.731 1.00 75.05 H new ATOM 0 HG1 THR A 97 -3.831 16.250 -9.694 1.00 32.23 H new ATOM 0 HG21 THR A 97 -5.419 15.412 -11.100 1.00 32.03 H new ATOM 0 HG22 THR A 97 -5.536 16.302 -12.636 1.00 32.03 H new ATOM 0 HG23 THR A 97 -3.952 15.734 -12.055 1.00 32.03 H new ATOM 1547 N LYS A 98 -5.373 20.102 -13.098 1.00 75.41 N ATOM 1548 CA LYS A 98 -6.259 20.578 -14.153 1.00 61.44 C ATOM 1549 C LYS A 98 -5.462 20.988 -15.388 1.00 52.22 C ATOM 1550 O LYS A 98 -5.751 20.544 -16.499 1.00 40.20 O ATOM 1551 CB LYS A 98 -7.091 21.761 -13.654 1.00 72.31 C ATOM 1552 CG LYS A 98 -8.584 21.596 -13.885 1.00 63.25 C ATOM 1553 CD LYS A 98 -9.217 20.710 -12.825 1.00 62.43 C ATOM 1554 CE LYS A 98 -10.297 19.817 -13.418 1.00 31.33 C ATOM 1555 NZ LYS A 98 -10.834 18.856 -12.414 1.00 4.13 N ATOM 0 H LYS A 98 -5.119 20.810 -12.410 1.00 75.41 H new ATOM 0 HA LYS A 98 -6.928 19.762 -14.427 1.00 61.44 H new ATOM 0 HB2 LYS A 98 -6.910 21.898 -12.588 1.00 72.31 H new ATOM 0 HB3 LYS A 98 -6.753 22.669 -14.154 1.00 72.31 H new ATOM 0 HG2 LYS A 98 -9.065 22.574 -13.877 1.00 63.25 H new ATOM 0 HG3 LYS A 98 -8.755 21.164 -14.871 1.00 63.25 H new ATOM 0 HD2 LYS A 98 -8.449 20.093 -12.359 1.00 62.43 H new ATOM 0 HD3 LYS A 98 -9.648 21.331 -12.040 1.00 62.43 H new ATOM 0 HE2 LYS A 98 -11.110 20.435 -13.801 1.00 31.33 H new ATOM 0 HE3 LYS A 98 -9.889 19.267 -14.266 1.00 31.33 H new ATOM 0 HZ1 LYS A 98 -11.567 18.266 -12.856 1.00 4.13 H new ATOM 0 HZ2 LYS A 98 -10.064 18.250 -12.067 1.00 4.13 H new ATOM 0 HZ3 LYS A 98 -11.247 19.381 -11.617 1.00 4.13 H new ATOM 1569 N GLU A 99 -4.459 21.835 -15.184 1.00 2.40 N ATOM 1570 CA GLU A 99 -3.621 22.305 -16.282 1.00 21.43 C ATOM 1571 C GLU A 99 -2.635 21.223 -16.714 1.00 20.22 C ATOM 1572 O GLU A 99 -2.035 21.306 -17.785 1.00 53.22 O ATOM 1573 CB GLU A 99 -2.862 23.567 -15.870 1.00 45.41 C ATOM 1574 CG GLU A 99 -3.763 24.687 -15.379 1.00 42.24 C ATOM 1575 CD GLU A 99 -3.895 25.813 -16.386 1.00 52.20 C ATOM 1576 OE1 GLU A 99 -2.881 26.156 -17.029 1.00 30.30 O ATOM 1577 OE2 GLU A 99 -5.013 26.352 -16.530 1.00 45.11 O ATOM 0 H GLU A 99 -4.206 22.210 -14.270 1.00 2.40 H new ATOM 0 HA GLU A 99 -4.270 22.540 -17.126 1.00 21.43 H new ATOM 0 HB2 GLU A 99 -2.151 23.313 -15.084 1.00 45.41 H new ATOM 0 HB3 GLU A 99 -2.282 23.925 -16.720 1.00 45.41 H new ATOM 0 HG2 GLU A 99 -4.751 24.283 -15.159 1.00 42.24 H new ATOM 0 HG3 GLU A 99 -3.366 25.085 -14.445 1.00 42.24 H new ATOM 1584 N ALA A 100 -2.473 20.207 -15.872 1.00 54.21 N ATOM 1585 CA ALA A 100 -1.562 19.109 -16.166 1.00 13.04 C ATOM 1586 C ALA A 100 -2.199 18.109 -17.125 1.00 42.24 C ATOM 1587 O ALA A 100 -1.507 17.453 -17.904 1.00 63.25 O ATOM 1588 CB ALA A 100 -1.141 18.414 -14.880 1.00 72.43 C ATOM 0 H ALA A 100 -2.962 20.122 -14.981 1.00 54.21 H new ATOM 0 HA ALA A 100 -0.677 19.523 -16.649 1.00 13.04 H new ATOM 0 HB1 ALA A 100 -0.460 17.596 -15.115 1.00 72.43 H new ATOM 0 HB2 ALA A 100 -0.638 19.128 -14.228 1.00 72.43 H new ATOM 0 HB3 ALA A 100 -2.022 18.019 -14.374 1.00 72.43 H new ATOM 1594 N LEU A 101 -3.522 17.998 -17.065 1.00 1.41 N ATOM 1595 CA LEU A 101 -4.253 17.078 -17.928 1.00 62.34 C ATOM 1596 C LEU A 101 -4.464 17.683 -19.313 1.00 13.01 C ATOM 1597 O LEU A 101 -4.559 16.963 -20.308 1.00 41.32 O ATOM 1598 CB LEU A 101 -5.603 16.723 -17.302 1.00 42.14 C ATOM 1599 CG LEU A 101 -5.593 15.573 -16.296 1.00 33.33 C ATOM 1600 CD1 LEU A 101 -6.687 15.764 -15.256 1.00 45.14 C ATOM 1601 CD2 LEU A 101 -5.762 14.239 -17.009 1.00 54.03 C ATOM 0 H LEU A 101 -4.110 18.534 -16.427 1.00 1.41 H new ATOM 0 HA LEU A 101 -3.660 16.170 -18.035 1.00 62.34 H new ATOM 0 HB2 LEU A 101 -5.995 17.610 -16.805 1.00 42.14 H new ATOM 0 HB3 LEU A 101 -6.298 16.472 -18.103 1.00 42.14 H new ATOM 0 HG LEU A 101 -4.630 15.571 -15.786 1.00 33.33 H new ATOM 0 HD11 LEU A 101 -6.665 14.936 -14.548 1.00 45.14 H new ATOM 0 HD12 LEU A 101 -6.523 16.701 -14.724 1.00 45.14 H new ATOM 0 HD13 LEU A 101 -7.658 15.793 -15.750 1.00 45.14 H new ATOM 0 HD21 LEU A 101 -5.752 13.431 -16.277 1.00 54.03 H new ATOM 0 HD22 LEU A 101 -6.711 14.231 -17.546 1.00 54.03 H new ATOM 0 HD23 LEU A 101 -4.944 14.098 -17.716 1.00 54.03 H new ATOM 1613 N ASP A 102 -4.536 19.008 -19.370 1.00 22.13 N ATOM 1614 CA ASP A 102 -4.734 19.710 -20.632 1.00 44.11 C ATOM 1615 C ASP A 102 -3.486 19.616 -21.507 1.00 34.34 C ATOM 1616 O ASP A 102 -3.578 19.401 -22.716 1.00 63.10 O ATOM 1617 CB ASP A 102 -5.082 21.177 -20.376 1.00 34.12 C ATOM 1618 CG ASP A 102 -6.475 21.349 -19.802 1.00 64.42 C ATOM 1619 OD1 ASP A 102 -6.881 20.513 -18.969 1.00 22.43 O ATOM 1620 OD2 ASP A 102 -7.158 22.321 -20.186 1.00 60.44 O ATOM 0 H ASP A 102 -4.460 19.618 -18.556 1.00 22.13 H new ATOM 0 HA ASP A 102 -5.562 19.235 -21.157 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -4.353 21.606 -19.688 1.00 34.12 H new ATOM 0 HB3 ASP A 102 -5.005 21.734 -21.310 1.00 34.12 H new ATOM 1625 N LYS A 103 -2.322 19.780 -20.887 1.00 72.05 N ATOM 1626 CA LYS A 103 -1.056 19.714 -21.608 1.00 54.15 C ATOM 1627 C LYS A 103 -0.839 18.325 -22.200 1.00 53.11 C ATOM 1628 O LYS A 103 -0.084 18.160 -23.159 1.00 41.12 O ATOM 1629 CB LYS A 103 0.103 20.069 -20.675 1.00 65.32 C ATOM 1630 CG LYS A 103 0.785 21.381 -21.025 1.00 63.53 C ATOM 1631 CD LYS A 103 -0.190 22.545 -20.982 1.00 42.31 C ATOM 1632 CE LYS A 103 0.538 23.880 -20.965 1.00 52.11 C ATOM 1633 NZ LYS A 103 0.068 24.782 -22.053 1.00 11.30 N ATOM 0 H LYS A 103 -2.229 19.960 -19.887 1.00 72.05 H new ATOM 0 HA LYS A 103 -1.092 20.436 -22.424 1.00 54.15 H new ATOM 0 HB2 LYS A 103 -0.269 20.124 -19.652 1.00 65.32 H new ATOM 0 HB3 LYS A 103 0.840 19.267 -20.704 1.00 65.32 H new ATOM 0 HG2 LYS A 103 1.603 21.564 -20.328 1.00 63.53 H new ATOM 0 HG3 LYS A 103 1.224 21.310 -22.020 1.00 63.53 H new ATOM 0 HD2 LYS A 103 -0.850 22.500 -21.848 1.00 42.31 H new ATOM 0 HD3 LYS A 103 -0.820 22.461 -20.096 1.00 42.31 H new ATOM 0 HE2 LYS A 103 0.386 24.364 -20.000 1.00 52.11 H new ATOM 0 HE3 LYS A 103 1.610 23.711 -21.071 1.00 52.11 H new ATOM 0 HZ1 LYS A 103 0.588 25.681 -22.007 1.00 11.30 H new ATOM 0 HZ2 LYS A 103 0.236 24.331 -22.975 1.00 11.30 H new ATOM 0 HZ3 LYS A 103 -0.949 24.964 -21.938 1.00 11.30 H new ATOM 1647 N ILE A 104 -1.507 17.330 -21.625 1.00 2.01 N ATOM 1648 CA ILE A 104 -1.388 15.956 -22.098 1.00 43.31 C ATOM 1649 C ILE A 104 -2.417 15.659 -23.183 1.00 71.54 C ATOM 1650 O ILE A 104 -2.249 14.728 -23.971 1.00 42.44 O ATOM 1651 CB ILE A 104 -1.564 14.948 -20.948 1.00 74.51 C ATOM 1652 CG1 ILE A 104 -0.533 15.210 -19.848 1.00 14.21 C ATOM 1653 CG2 ILE A 104 -1.440 13.524 -21.469 1.00 51.21 C ATOM 1654 CD1 ILE A 104 -0.807 14.449 -18.569 1.00 60.34 C ATOM 0 H ILE A 104 -2.136 17.450 -20.831 1.00 2.01 H new ATOM 0 HA ILE A 104 -0.385 15.849 -22.512 1.00 43.31 H new ATOM 0 HB ILE A 104 -2.560 15.074 -20.523 1.00 74.51 H new ATOM 0 HG12 ILE A 104 0.457 14.940 -20.217 1.00 14.21 H new ATOM 0 HG13 ILE A 104 -0.511 16.277 -19.629 1.00 14.21 H new ATOM 0 HG21 ILE A 104 -1.567 12.823 -20.644 1.00 51.21 H new ATOM 0 HG22 ILE A 104 -2.209 13.343 -22.220 1.00 51.21 H new ATOM 0 HG23 ILE A 104 -0.456 13.385 -21.916 1.00 51.21 H new ATOM 0 HD11 ILE A 104 -0.037 14.683 -17.834 1.00 60.34 H new ATOM 0 HD12 ILE A 104 -1.782 14.737 -18.176 1.00 60.34 H new ATOM 0 HD13 ILE A 104 -0.800 13.378 -18.774 1.00 60.34 H new