USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot -176:sc= 0.466 USER MOD Set 1.2: A 81 THR OG1 : rot 84:sc= 0.415 USER MOD Set 1.3: A 97 THR OG1 : rot 61:sc= 0.652 USER MOD Set 2.1: A 69 GLN : amide:sc= -0.18 X(o=-0.16,f=-0.047) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0.0176 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.708 K(o=0.96,f=0.32) USER MOD Set 3.2: A 79 TYR OH : rot 98:sc= 0.254 USER MOD Single : A 9 SER OG : rot 180:sc= -0.112 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= 0.139 K(o=0.14,f=-3.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-9.1!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.659 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 160:sc= 0.688 USER MOD Single : A 54 SER OG : rot -60:sc= 0.0498 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.197 USER MOD Single : A 59 GLN : amide:sc=-0.00572 K(o=-0.0057,f=-1.1) USER MOD Single : A 63 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.124 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0585 K(o=-0.059,f=-0.64) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -150:sc= -1.03 USER MOD Single : A 89 HIS : no HD1:sc= 0.281 K(o=0.98,f=-4!) USER MOD Single : A 90 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.8) 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 9.044 -5.347 -8.875 1.00 71.54 N ATOM 64 CA VAL A 7 9.856 -6.438 -8.349 1.00 24.33 C ATOM 65 C VAL A 7 11.261 -6.412 -8.940 1.00 32.02 C ATOM 66 O VAL A 7 12.241 -6.182 -8.230 1.00 41.13 O ATOM 67 CB VAL A 7 9.213 -7.807 -8.639 1.00 21.41 C ATOM 68 CG1 VAL A 7 10.035 -8.925 -8.017 1.00 61.30 C ATOM 69 CG2 VAL A 7 7.780 -7.841 -8.131 1.00 72.43 C ATOM 0 HA VAL A 7 9.917 -6.296 -7.270 1.00 24.33 H new ATOM 0 HB VAL A 7 9.195 -7.959 -9.718 1.00 21.41 H new ATOM 0 HG11 VAL A 7 9.565 -9.885 -8.232 1.00 61.30 H new ATOM 0 HG12 VAL A 7 11.042 -8.912 -8.434 1.00 61.30 H new ATOM 0 HG13 VAL A 7 10.088 -8.781 -6.938 1.00 61.30 H new ATOM 0 HG21 VAL A 7 7.341 -8.816 -8.344 1.00 72.43 H new ATOM 0 HG22 VAL A 7 7.771 -7.667 -7.055 1.00 72.43 H new ATOM 0 HG23 VAL A 7 7.199 -7.065 -8.629 1.00 72.43 H new ATOM 79 N LEU A 8 11.352 -6.648 -10.244 1.00 24.42 N ATOM 80 CA LEU A 8 12.638 -6.652 -10.933 1.00 23.13 C ATOM 81 C LEU A 8 12.895 -5.310 -11.612 1.00 30.30 C ATOM 82 O LEU A 8 12.096 -4.853 -12.428 1.00 53.11 O ATOM 83 CB LEU A 8 12.681 -7.777 -11.968 1.00 73.13 C ATOM 84 CG LEU A 8 12.515 -9.197 -11.424 1.00 34.11 C ATOM 85 CD1 LEU A 8 12.481 -10.204 -12.562 1.00 12.11 C ATOM 86 CD2 LEU A 8 13.635 -9.528 -10.449 1.00 30.55 C ATOM 0 H LEU A 8 10.551 -6.839 -10.846 1.00 24.42 H new ATOM 0 HA LEU A 8 13.420 -6.819 -10.192 1.00 23.13 H new ATOM 0 HB2 LEU A 8 11.897 -7.597 -12.703 1.00 73.13 H new ATOM 0 HB3 LEU A 8 13.633 -7.721 -12.497 1.00 73.13 H new ATOM 0 HG LEU A 8 11.567 -9.253 -10.890 1.00 34.11 H new ATOM 0 HD11 LEU A 8 12.362 -11.208 -12.156 1.00 12.11 H new ATOM 0 HD12 LEU A 8 11.644 -9.979 -13.222 1.00 12.11 H new ATOM 0 HD13 LEU A 8 13.413 -10.148 -13.125 1.00 12.11 H new ATOM 0 HD21 LEU A 8 13.501 -10.542 -10.072 1.00 30.55 H new ATOM 0 HD22 LEU A 8 14.595 -9.455 -10.959 1.00 30.55 H new ATOM 0 HD23 LEU A 8 13.612 -8.825 -9.616 1.00 30.55 H new ATOM 98 N SER A 9 14.018 -4.685 -11.270 1.00 65.45 N ATOM 99 CA SER A 9 14.380 -3.396 -11.846 1.00 2.44 C ATOM 100 C SER A 9 14.727 -3.539 -13.324 1.00 2.24 C ATOM 101 O SER A 9 14.542 -4.601 -13.917 1.00 2.21 O ATOM 102 CB SER A 9 15.564 -2.790 -11.089 1.00 24.44 C ATOM 103 OG SER A 9 16.793 -3.138 -11.702 1.00 15.03 O ATOM 0 H SER A 9 14.692 -5.051 -10.597 1.00 65.45 H new ATOM 0 HA SER A 9 13.521 -2.732 -11.755 1.00 2.44 H new ATOM 0 HB2 SER A 9 15.463 -1.705 -11.059 1.00 24.44 H new ATOM 0 HB3 SER A 9 15.557 -3.140 -10.057 1.00 24.44 H new ATOM 0 HG SER A 9 17.534 -2.737 -11.201 1.00 15.03 H new ATOM 109 N GLY A 10 15.233 -2.459 -13.914 1.00 73.24 N ATOM 110 CA GLY A 10 15.597 -2.485 -15.319 1.00 11.13 C ATOM 111 C GLY A 10 16.634 -3.546 -15.629 1.00 70.54 C ATOM 112 O GLY A 10 16.452 -4.354 -16.540 1.00 30.32 O ATOM 0 H GLY A 10 15.397 -1.568 -13.445 1.00 73.24 H new ATOM 0 HA2 GLY A 10 14.705 -2.666 -15.919 1.00 11.13 H new ATOM 0 HA3 GLY A 10 15.983 -1.508 -15.609 1.00 11.13 H new ATOM 116 N GLY A 11 17.727 -3.544 -14.872 1.00 72.52 N ATOM 117 CA GLY A 11 18.780 -4.518 -15.088 1.00 1.13 C ATOM 118 C GLY A 11 18.325 -5.937 -14.813 1.00 64.53 C ATOM 119 O GLY A 11 18.675 -6.862 -15.546 1.00 24.53 O ATOM 0 H GLY A 11 17.902 -2.885 -14.113 1.00 72.52 H new ATOM 0 HA2 GLY A 11 19.131 -4.446 -16.117 1.00 1.13 H new ATOM 0 HA3 GLY A 11 19.627 -4.281 -14.445 1.00 1.13 H new ATOM 123 N GLU A 12 17.542 -6.110 -13.751 1.00 41.42 N ATOM 124 CA GLU A 12 17.041 -7.428 -13.380 1.00 64.02 C ATOM 125 C GLU A 12 16.046 -7.943 -14.416 1.00 62.11 C ATOM 126 O GLU A 12 15.988 -9.142 -14.695 1.00 41.13 O ATOM 127 CB GLU A 12 16.378 -7.375 -12.002 1.00 62.22 C ATOM 128 CG GLU A 12 17.191 -6.622 -10.963 1.00 13.21 C ATOM 129 CD GLU A 12 16.628 -6.768 -9.562 1.00 72.03 C ATOM 130 OE1 GLU A 12 15.643 -6.070 -9.244 1.00 34.43 O ATOM 131 OE2 GLU A 12 17.171 -7.580 -8.786 1.00 41.41 O1- ATOM 0 H GLU A 12 17.242 -5.355 -13.134 1.00 41.42 H new ATOM 0 HA GLU A 12 17.887 -8.114 -13.343 1.00 64.02 H new ATOM 0 HB2 GLU A 12 15.400 -6.904 -12.097 1.00 62.22 H new ATOM 0 HB3 GLU A 12 16.209 -8.393 -11.650 1.00 62.22 H new ATOM 0 HG2 GLU A 12 18.218 -6.986 -10.977 1.00 13.21 H new ATOM 0 HG3 GLU A 12 17.224 -5.565 -11.229 1.00 13.21 H new ATOM 138 N LEU A 13 15.265 -7.030 -14.982 1.00 41.25 N ATOM 139 CA LEU A 13 14.271 -7.391 -15.988 1.00 42.13 C ATOM 140 C LEU A 13 14.935 -8.027 -17.206 1.00 32.45 C ATOM 141 O LEU A 13 14.499 -9.072 -17.688 1.00 63.12 O ATOM 142 CB LEU A 13 13.475 -6.157 -16.412 1.00 54.13 C ATOM 143 CG LEU A 13 12.174 -6.424 -17.171 1.00 41.52 C ATOM 144 CD1 LEU A 13 11.149 -7.076 -16.257 1.00 62.51 C ATOM 145 CD2 LEU A 13 11.625 -5.133 -17.759 1.00 71.43 C ATOM 0 H LEU A 13 15.300 -6.035 -14.762 1.00 41.25 H new ATOM 0 HA LEU A 13 13.591 -8.120 -15.547 1.00 42.13 H new ATOM 0 HB2 LEU A 13 13.239 -5.578 -15.519 1.00 54.13 H new ATOM 0 HB3 LEU A 13 14.115 -5.534 -17.037 1.00 54.13 H new ATOM 0 HG LEU A 13 12.387 -7.110 -17.991 1.00 41.52 H new ATOM 0 HD11 LEU A 13 10.230 -7.259 -16.813 1.00 62.51 H new ATOM 0 HD12 LEU A 13 11.543 -8.022 -15.885 1.00 62.51 H new ATOM 0 HD13 LEU A 13 10.939 -6.415 -15.416 1.00 62.51 H new ATOM 0 HD21 LEU A 13 10.699 -5.342 -18.295 1.00 71.43 H new ATOM 0 HD22 LEU A 13 11.427 -4.423 -16.956 1.00 71.43 H new ATOM 0 HD23 LEU A 13 12.355 -4.707 -18.448 1.00 71.43 H new ATOM 157 N ASP A 14 15.992 -7.389 -17.696 1.00 71.03 N ATOM 158 CA ASP A 14 16.718 -7.893 -18.856 1.00 63.04 C ATOM 159 C ASP A 14 17.145 -9.342 -18.642 1.00 55.13 C ATOM 160 O ASP A 14 16.904 -10.203 -19.489 1.00 50.31 O ATOM 161 CB ASP A 14 17.945 -7.023 -19.134 1.00 52.43 C ATOM 162 CG ASP A 14 18.506 -7.241 -20.525 1.00 44.35 C ATOM 163 OD1 ASP A 14 18.546 -8.407 -20.974 1.00 44.11 O ATOM 164 OD2 ASP A 14 18.906 -6.248 -21.166 1.00 13.13 O1- ATOM 0 H ASP A 14 16.365 -6.522 -17.308 1.00 71.03 H new ATOM 0 HA ASP A 14 16.051 -7.853 -19.717 1.00 63.04 H new ATOM 0 HB2 ASP A 14 17.677 -5.973 -19.014 1.00 52.43 H new ATOM 0 HB3 ASP A 14 18.717 -7.242 -18.396 1.00 52.43 H new ATOM 169 N LYS A 15 17.782 -9.605 -17.506 1.00 51.10 N ATOM 170 CA LYS A 15 18.243 -10.949 -17.180 1.00 31.33 C ATOM 171 C LYS A 15 17.064 -11.895 -16.983 1.00 64.54 C ATOM 172 O LYS A 15 17.092 -13.040 -17.436 1.00 34.21 O ATOM 173 CB LYS A 15 19.105 -10.922 -15.915 1.00 74.21 C ATOM 174 CG LYS A 15 20.379 -11.740 -16.031 1.00 2.24 C ATOM 175 CD LYS A 15 21.571 -10.869 -16.392 1.00 30.35 C ATOM 176 CE LYS A 15 22.631 -10.895 -15.302 1.00 21.33 C ATOM 177 NZ LYS A 15 22.321 -9.939 -14.203 1.00 72.54 N1+ ATOM 0 H LYS A 15 17.991 -8.904 -16.795 1.00 51.10 H new ATOM 0 HA LYS A 15 18.843 -11.313 -18.014 1.00 31.33 H new ATOM 0 HB2 LYS A 15 19.366 -9.889 -15.685 1.00 74.21 H new ATOM 0 HB3 LYS A 15 18.517 -11.297 -15.077 1.00 74.21 H new ATOM 0 HG2 LYS A 15 20.572 -12.250 -15.087 1.00 2.24 H new ATOM 0 HG3 LYS A 15 20.249 -12.512 -16.789 1.00 2.24 H new ATOM 0 HD2 LYS A 15 22.004 -11.214 -17.331 1.00 30.35 H new ATOM 0 HD3 LYS A 15 21.238 -9.844 -16.553 1.00 30.35 H new ATOM 0 HE2 LYS A 15 22.709 -11.903 -14.895 1.00 21.33 H new ATOM 0 HE3 LYS A 15 23.601 -10.650 -15.733 1.00 21.33 H new ATOM 0 HZ1 LYS A 15 23.067 -9.987 -13.480 1.00 72.54 H new ATOM 0 HZ2 LYS A 15 22.272 -8.973 -14.586 1.00 72.54 H new ATOM 0 HZ3 LYS A 15 21.407 -10.188 -13.774 1.00 72.54 H new ATOM 191 N TRP A 16 16.028 -11.410 -16.307 1.00 65.23 N ATOM 192 CA TRP A 16 14.837 -12.214 -16.052 1.00 43.43 C ATOM 193 C TRP A 16 14.285 -12.795 -17.349 1.00 43.34 C ATOM 194 O TRP A 16 14.063 -14.001 -17.454 1.00 32.31 O ATOM 195 CB TRP A 16 13.766 -11.371 -15.360 1.00 23.01 C ATOM 196 CG TRP A 16 12.463 -12.092 -15.185 1.00 53.30 C ATOM 197 CD1 TRP A 16 11.361 -11.996 -15.985 1.00 65.43 C ATOM 198 CD2 TRP A 16 12.129 -13.016 -14.145 1.00 64.43 C ATOM 199 NE1 TRP A 16 10.360 -12.806 -15.504 1.00 1.01 N ATOM 200 CE2 TRP A 16 10.807 -13.443 -14.377 1.00 65.52 C ATOM 201 CE3 TRP A 16 12.817 -13.527 -13.041 1.00 10.04 C ATOM 202 CZ2 TRP A 16 10.162 -14.354 -13.544 1.00 33.02 C ATOM 203 CZ3 TRP A 16 12.176 -14.431 -12.216 1.00 41.11 C ATOM 204 CH2 TRP A 16 10.860 -14.837 -12.471 1.00 65.21 C ATOM 0 H TRP A 16 15.988 -10.465 -15.926 1.00 65.23 H new ATOM 0 HA TRP A 16 15.119 -13.039 -15.397 1.00 43.43 H new ATOM 0 HB2 TRP A 16 14.135 -11.059 -14.383 1.00 23.01 H new ATOM 0 HB3 TRP A 16 13.596 -10.464 -15.941 1.00 23.01 H new ATOM 0 HD1 TRP A 16 11.287 -11.375 -16.866 1.00 65.43 H new ATOM 0 HE1 TRP A 16 9.435 -12.915 -15.919 1.00 1.01 H new ATOM 0 HE3 TRP A 16 13.832 -13.221 -12.836 1.00 10.04 H new ATOM 0 HZ2 TRP A 16 9.147 -14.668 -13.738 1.00 33.02 H new ATOM 0 HZ3 TRP A 16 12.699 -14.831 -11.360 1.00 41.11 H new ATOM 0 HH2 TRP A 16 10.387 -15.546 -11.807 1.00 65.21 H new ATOM 215 N GLU A 17 14.066 -11.930 -18.334 1.00 53.45 N ATOM 216 CA GLU A 17 13.539 -12.360 -19.624 1.00 74.32 C ATOM 217 C GLU A 17 14.477 -13.363 -20.288 1.00 43.34 C ATOM 218 O GLU A 17 14.050 -14.191 -21.094 1.00 34.23 O ATOM 219 CB GLU A 17 13.332 -11.153 -20.542 1.00 51.00 C ATOM 220 CG GLU A 17 12.047 -10.390 -20.265 1.00 44.04 C ATOM 221 CD GLU A 17 11.619 -9.523 -21.433 1.00 1.34 C ATOM 222 OE1 GLU A 17 12.239 -9.632 -22.511 1.00 12.22 O1- ATOM 223 OE2 GLU A 17 10.665 -8.734 -21.266 1.00 51.33 O ATOM 0 H GLU A 17 14.245 -10.928 -18.264 1.00 53.45 H new ATOM 0 HA GLU A 17 12.579 -12.846 -19.452 1.00 74.32 H new ATOM 0 HB2 GLU A 17 14.178 -10.475 -20.432 1.00 51.00 H new ATOM 0 HB3 GLU A 17 13.327 -11.492 -21.578 1.00 51.00 H new ATOM 0 HG2 GLU A 17 11.252 -11.098 -20.033 1.00 44.04 H new ATOM 0 HG3 GLU A 17 12.184 -9.764 -19.384 1.00 44.04 H new ATOM 230 N LYS A 18 15.758 -13.283 -19.945 1.00 51.42 N ATOM 231 CA LYS A 18 16.758 -14.184 -20.507 1.00 62.10 C ATOM 232 C LYS A 18 16.662 -15.568 -19.872 1.00 33.34 C ATOM 233 O LYS A 18 16.626 -16.580 -20.571 1.00 73.43 O ATOM 234 CB LYS A 18 18.163 -13.612 -20.298 1.00 43.24 C ATOM 235 CG LYS A 18 19.129 -13.950 -21.420 1.00 12.22 C ATOM 236 CD LYS A 18 20.245 -14.863 -20.939 1.00 74.43 C ATOM 237 CE LYS A 18 20.679 -15.832 -22.028 1.00 43.25 C ATOM 238 NZ LYS A 18 20.592 -17.249 -21.575 1.00 53.41 N1+ ATOM 0 H LYS A 18 16.129 -12.604 -19.281 1.00 51.42 H new ATOM 0 HA LYS A 18 16.565 -14.280 -21.576 1.00 62.10 H new ATOM 0 HB2 LYS A 18 18.095 -12.528 -20.202 1.00 43.24 H new ATOM 0 HB3 LYS A 18 18.564 -13.990 -19.358 1.00 43.24 H new ATOM 0 HG2 LYS A 18 18.588 -14.433 -22.234 1.00 12.22 H new ATOM 0 HG3 LYS A 18 19.557 -13.032 -21.822 1.00 12.22 H new ATOM 0 HD2 LYS A 18 21.098 -14.262 -20.624 1.00 74.43 H new ATOM 0 HD3 LYS A 18 19.909 -15.422 -20.066 1.00 74.43 H new ATOM 0 HE2 LYS A 18 20.052 -15.693 -22.909 1.00 43.25 H new ATOM 0 HE3 LYS A 18 21.703 -15.608 -22.327 1.00 43.25 H new ATOM 0 HZ1 LYS A 18 20.896 -17.879 -22.345 1.00 53.41 H new ATOM 0 HZ2 LYS A 18 21.209 -17.388 -20.750 1.00 53.41 H new ATOM 0 HZ3 LYS A 18 19.610 -17.470 -21.314 1.00 53.41 H new ATOM 252 N ILE A 19 16.619 -15.603 -18.544 1.00 10.23 N ATOM 253 CA ILE A 19 16.524 -16.863 -17.817 1.00 13.35 C ATOM 254 C ILE A 19 15.372 -17.714 -18.340 1.00 31.22 C ATOM 255 O ILE A 19 14.299 -17.198 -18.654 1.00 1.14 O ATOM 256 CB ILE A 19 16.331 -16.627 -16.307 1.00 73.04 C ATOM 257 CG1 ILE A 19 17.490 -15.802 -15.744 1.00 40.55 C ATOM 258 CG2 ILE A 19 16.214 -17.956 -15.575 1.00 14.21 C ATOM 259 CD1 ILE A 19 17.046 -14.680 -14.832 1.00 50.44 C ATOM 0 H ILE A 19 16.648 -14.774 -17.950 1.00 10.23 H new ATOM 0 HA ILE A 19 17.463 -17.392 -17.977 1.00 13.35 H new ATOM 0 HB ILE A 19 15.407 -16.068 -16.157 1.00 73.04 H new ATOM 0 HG12 ILE A 19 18.162 -16.462 -15.195 1.00 40.55 H new ATOM 0 HG13 ILE A 19 18.062 -15.382 -16.571 1.00 40.55 H new ATOM 0 HG21 ILE A 19 16.078 -17.774 -14.509 1.00 14.21 H new ATOM 0 HG22 ILE A 19 15.358 -18.510 -15.960 1.00 14.21 H new ATOM 0 HG23 ILE A 19 17.122 -18.538 -15.730 1.00 14.21 H new ATOM 0 HD11 ILE A 19 17.920 -14.138 -14.470 1.00 50.44 H new ATOM 0 HD12 ILE A 19 16.398 -13.998 -15.383 1.00 50.44 H new ATOM 0 HD13 ILE A 19 16.500 -15.094 -13.985 1.00 50.44 H new ATOM 271 N ARG A 20 15.600 -19.020 -18.428 1.00 11.54 N ATOM 272 CA ARG A 20 14.581 -19.943 -18.912 1.00 3.42 C ATOM 273 C ARG A 20 13.990 -20.752 -17.760 1.00 71.02 C ATOM 274 O ARG A 20 14.640 -20.958 -16.734 1.00 32.40 O ATOM 275 CB ARG A 20 15.173 -20.886 -19.960 1.00 30.20 C ATOM 276 CG ARG A 20 15.607 -20.183 -21.236 1.00 32.12 C ATOM 277 CD ARG A 20 16.894 -20.774 -21.789 1.00 3.41 C ATOM 278 NE ARG A 20 17.618 -19.823 -22.628 1.00 33.41 N ATOM 279 CZ ARG A 20 17.266 -19.527 -23.874 1.00 42.34 C ATOM 280 NH1 ARG A 20 16.208 -20.106 -24.424 1.00 23.33 N1+ ATOM 281 NH2 ARG A 20 17.976 -18.652 -24.575 1.00 34.23 N ATOM 0 H ARG A 20 16.482 -19.463 -18.170 1.00 11.54 H new ATOM 0 HA ARG A 20 13.784 -19.357 -19.370 1.00 3.42 H new ATOM 0 HB2 ARG A 20 16.031 -21.401 -19.529 1.00 30.20 H new ATOM 0 HB3 ARG A 20 14.435 -21.649 -20.208 1.00 30.20 H new ATOM 0 HG2 ARG A 20 14.818 -20.264 -21.983 1.00 32.12 H new ATOM 0 HG3 ARG A 20 15.750 -19.121 -21.037 1.00 32.12 H new ATOM 0 HD2 ARG A 20 17.533 -21.088 -20.963 1.00 3.41 H new ATOM 0 HD3 ARG A 20 16.662 -21.667 -22.370 1.00 3.41 H new ATOM 0 HE ARG A 20 18.438 -19.361 -22.236 1.00 33.41 H new ATOM 0 HH11 ARG A 20 15.661 -20.781 -23.890 1.00 23.33 H new ATOM 0 HH12 ARG A 20 15.941 -19.876 -25.381 1.00 23.33 H new ATOM 0 HH21 ARG A 20 18.793 -18.206 -24.157 1.00 34.23 H new ATOM 0 HH22 ARG A 20 17.705 -18.425 -25.532 1.00 34.23 H new ATOM 295 N LEU A 21 12.754 -21.207 -17.938 1.00 4.44 N ATOM 296 CA LEU A 21 12.075 -21.993 -16.914 1.00 24.42 C ATOM 297 C LEU A 21 12.722 -23.366 -16.763 1.00 63.30 C ATOM 298 O LEU A 21 12.986 -23.820 -15.650 1.00 64.22 O ATOM 299 CB LEU A 21 10.594 -22.150 -17.263 1.00 23.21 C ATOM 300 CG LEU A 21 9.847 -20.863 -17.614 1.00 2.10 C ATOM 301 CD1 LEU A 21 8.880 -21.104 -18.763 1.00 2.45 C ATOM 302 CD2 LEU A 21 9.109 -20.325 -16.397 1.00 11.25 C ATOM 0 H LEU A 21 12.203 -21.045 -18.781 1.00 4.44 H new ATOM 0 HA LEU A 21 12.165 -21.464 -15.965 1.00 24.42 H new ATOM 0 HB2 LEU A 21 10.511 -22.836 -18.106 1.00 23.21 H new ATOM 0 HB3 LEU A 21 10.090 -22.620 -16.418 1.00 23.21 H new ATOM 0 HG LEU A 21 10.576 -20.117 -17.930 1.00 2.10 H new ATOM 0 HD11 LEU A 21 8.357 -20.177 -18.999 1.00 2.45 H new ATOM 0 HD12 LEU A 21 9.433 -21.442 -19.639 1.00 2.45 H new ATOM 0 HD13 LEU A 21 8.156 -21.866 -18.475 1.00 2.45 H new ATOM 0 HD21 LEU A 21 8.583 -19.409 -16.666 1.00 11.25 H new ATOM 0 HD22 LEU A 21 8.390 -21.067 -16.050 1.00 11.25 H new ATOM 0 HD23 LEU A 21 9.824 -20.113 -15.602 1.00 11.25 H new ATOM 314 N ARG A 22 12.977 -24.021 -17.891 1.00 2.21 N ATOM 315 CA ARG A 22 13.595 -25.342 -17.884 1.00 41.02 C ATOM 316 C ARG A 22 14.919 -25.327 -18.641 1.00 70.04 C ATOM 317 O ARG A 22 15.160 -24.481 -19.502 1.00 11.02 O ATOM 318 CB ARG A 22 12.650 -26.373 -18.505 1.00 54.43 C ATOM 319 CG ARG A 22 11.629 -26.932 -17.528 1.00 54.31 C ATOM 320 CD ARG A 22 10.414 -26.025 -17.414 1.00 1.02 C ATOM 321 NE ARG A 22 9.192 -26.779 -17.148 1.00 34.22 N ATOM 322 CZ ARG A 22 8.024 -26.210 -16.867 1.00 11.23 C ATOM 323 NH1 ARG A 22 7.922 -24.890 -16.813 1.00 15.40 N1+ ATOM 324 NH2 ARG A 22 6.956 -26.964 -16.638 1.00 4.23 N ATOM 0 H ARG A 22 12.765 -23.659 -18.821 1.00 2.21 H new ATOM 0 HA ARG A 22 13.793 -25.618 -16.848 1.00 41.02 H new ATOM 0 HB2 ARG A 22 12.125 -25.914 -19.342 1.00 54.43 H new ATOM 0 HB3 ARG A 22 13.239 -27.195 -18.911 1.00 54.43 H new ATOM 0 HG2 ARG A 22 11.315 -27.923 -17.855 1.00 54.31 H new ATOM 0 HG3 ARG A 22 12.089 -27.051 -16.547 1.00 54.31 H new ATOM 0 HD2 ARG A 22 10.575 -25.302 -16.615 1.00 1.02 H new ATOM 0 HD3 ARG A 22 10.297 -25.458 -18.338 1.00 1.02 H new ATOM 0 HE ARG A 22 9.237 -27.798 -17.180 1.00 34.22 H new ATOM 0 HH11 ARG A 22 8.741 -24.308 -16.987 1.00 15.40 H new ATOM 0 HH12 ARG A 22 7.024 -24.456 -16.597 1.00 15.40 H new ATOM 0 HH21 ARG A 22 7.031 -27.980 -16.678 1.00 4.23 H new ATOM 0 HH22 ARG A 22 6.060 -26.527 -16.422 1.00 4.23 H new ATOM 338 N PRO A 23 15.799 -26.285 -18.315 1.00 62.15 N ATOM 339 CA PRO A 23 17.113 -26.405 -18.953 1.00 3.44 C ATOM 340 C PRO A 23 17.014 -26.854 -20.407 1.00 22.15 C ATOM 341 O PRO A 23 17.811 -26.445 -21.249 1.00 34.13 O ATOM 342 CB PRO A 23 17.821 -27.469 -18.111 1.00 11.10 C ATOM 343 CG PRO A 23 16.719 -28.280 -17.522 1.00 45.04 C ATOM 344 CD PRO A 23 15.577 -27.328 -17.299 1.00 2.20 C ATOM 0 HA PRO A 23 17.638 -25.450 -18.987 1.00 3.44 H new ATOM 0 HB2 PRO A 23 18.481 -28.083 -18.723 1.00 11.10 H new ATOM 0 HB3 PRO A 23 18.437 -27.015 -17.335 1.00 11.10 H new ATOM 0 HG2 PRO A 23 16.428 -29.088 -18.193 1.00 45.04 H new ATOM 0 HG3 PRO A 23 17.032 -28.741 -16.585 1.00 45.04 H new ATOM 0 HD2 PRO A 23 14.613 -27.819 -17.431 1.00 2.20 H new ATOM 0 HD3 PRO A 23 15.589 -26.915 -16.290 1.00 2.20 H new ATOM 352 N GLY A 24 16.028 -27.699 -20.694 1.00 5.12 N ATOM 353 CA GLY A 24 15.843 -28.190 -22.047 1.00 21.41 C ATOM 354 C GLY A 24 14.699 -27.499 -22.763 1.00 0.11 C ATOM 355 O GLY A 24 14.627 -27.514 -23.991 1.00 64.13 O ATOM 0 H GLY A 24 15.355 -28.052 -20.014 1.00 5.12 H new ATOM 0 HA2 GLY A 24 16.763 -28.043 -22.613 1.00 21.41 H new ATOM 0 HA3 GLY A 24 15.654 -29.263 -22.018 1.00 21.41 H new ATOM 359 N GLY A 25 13.803 -26.890 -21.993 1.00 71.34 N ATOM 360 CA GLY A 25 12.668 -26.201 -22.579 1.00 30.00 C ATOM 361 C GLY A 25 13.083 -25.200 -23.640 1.00 62.45 C ATOM 362 O GLY A 25 14.266 -24.894 -23.787 1.00 64.41 O ATOM 0 H GLY A 25 13.843 -26.861 -20.974 1.00 71.34 H new ATOM 0 HA2 GLY A 25 11.990 -26.933 -23.019 1.00 30.00 H new ATOM 0 HA3 GLY A 25 12.115 -25.686 -21.794 1.00 30.00 H new ATOM 366 N LYS A 26 12.107 -24.692 -24.385 1.00 30.32 N ATOM 367 CA LYS A 26 12.375 -23.722 -25.439 1.00 31.45 C ATOM 368 C LYS A 26 11.641 -22.411 -25.171 1.00 71.34 C ATOM 369 O LYS A 26 11.312 -21.671 -26.099 1.00 20.22 O ATOM 370 CB LYS A 26 11.955 -24.285 -26.798 1.00 35.50 C ATOM 371 CG LYS A 26 12.756 -25.502 -27.226 1.00 43.13 C ATOM 372 CD LYS A 26 11.898 -26.494 -27.993 1.00 34.02 C ATOM 373 CE LYS A 26 12.751 -27.506 -28.742 1.00 74.42 C ATOM 374 NZ LYS A 26 11.999 -28.758 -29.033 1.00 63.34 N1+ ATOM 0 H LYS A 26 11.123 -24.937 -24.278 1.00 30.32 H new ATOM 0 HA LYS A 26 13.447 -23.523 -25.451 1.00 31.45 H new ATOM 0 HB2 LYS A 26 10.898 -24.551 -26.761 1.00 35.50 H new ATOM 0 HB3 LYS A 26 12.062 -23.506 -27.553 1.00 35.50 H new ATOM 0 HG2 LYS A 26 13.593 -25.187 -27.848 1.00 43.13 H new ATOM 0 HG3 LYS A 26 13.178 -25.989 -26.347 1.00 43.13 H new ATOM 0 HD2 LYS A 26 11.236 -27.015 -27.301 1.00 34.02 H new ATOM 0 HD3 LYS A 26 11.263 -25.958 -28.699 1.00 34.02 H new ATOM 0 HE2 LYS A 26 13.100 -27.066 -29.676 1.00 74.42 H new ATOM 0 HE3 LYS A 26 13.636 -27.743 -28.151 1.00 74.42 H new ATOM 0 HZ1 LYS A 26 12.615 -29.422 -29.544 1.00 63.34 H new ATOM 0 HZ2 LYS A 26 11.688 -29.192 -28.140 1.00 63.34 H new ATOM 0 HZ3 LYS A 26 11.168 -28.536 -29.618 1.00 63.34 H new ATOM 388 N LYS A 27 11.388 -22.129 -23.898 1.00 71.32 N ATOM 389 CA LYS A 27 10.696 -20.907 -23.507 1.00 14.30 C ATOM 390 C LYS A 27 11.461 -20.176 -22.408 1.00 73.50 C ATOM 391 O LYS A 27 12.049 -20.803 -21.528 1.00 62.12 O ATOM 392 CB LYS A 27 9.278 -21.230 -23.029 1.00 62.20 C ATOM 393 CG LYS A 27 8.416 -21.896 -24.088 1.00 4.41 C ATOM 394 CD LYS A 27 7.037 -22.235 -23.550 1.00 72.55 C ATOM 395 CE LYS A 27 6.894 -23.725 -23.276 1.00 15.44 C ATOM 396 NZ LYS A 27 6.723 -24.505 -24.533 1.00 64.33 N1+ ATOM 0 H LYS A 27 11.652 -22.731 -23.118 1.00 71.32 H new ATOM 0 HA LYS A 27 10.639 -20.256 -24.380 1.00 14.30 H new ATOM 0 HB2 LYS A 27 9.337 -21.882 -22.158 1.00 62.20 H new ATOM 0 HB3 LYS A 27 8.794 -20.309 -22.705 1.00 62.20 H new ATOM 0 HG2 LYS A 27 8.319 -21.235 -24.949 1.00 4.41 H new ATOM 0 HG3 LYS A 27 8.905 -22.805 -24.438 1.00 4.41 H new ATOM 0 HD2 LYS A 27 6.857 -21.677 -22.631 1.00 72.55 H new ATOM 0 HD3 LYS A 27 6.279 -21.922 -24.268 1.00 72.55 H new ATOM 0 HE2 LYS A 27 7.775 -24.083 -22.743 1.00 15.44 H new ATOM 0 HE3 LYS A 27 6.037 -23.894 -22.624 1.00 15.44 H new ATOM 0 HZ1 LYS A 27 6.629 -25.515 -24.305 1.00 64.33 H new ATOM 0 HZ2 LYS A 27 5.868 -24.181 -25.029 1.00 64.33 H new ATOM 0 HZ3 LYS A 27 7.552 -24.364 -25.145 1.00 64.33 H new ATOM 410 N GLN A 28 11.446 -18.848 -22.466 1.00 1.11 N ATOM 411 CA GLN A 28 12.138 -18.033 -21.475 1.00 63.21 C ATOM 412 C GLN A 28 11.169 -17.536 -20.407 1.00 31.13 C ATOM 413 O GLN A 28 9.976 -17.840 -20.446 1.00 70.30 O ATOM 414 CB GLN A 28 12.825 -16.845 -22.150 1.00 0.12 C ATOM 415 CG GLN A 28 13.584 -17.219 -23.412 1.00 52.33 C ATOM 416 CD GLN A 28 12.855 -16.804 -24.675 1.00 51.42 C ATOM 417 OE1 GLN A 28 11.641 -16.973 -24.789 1.00 12.42 O ATOM 418 NE2 GLN A 28 13.595 -16.257 -25.633 1.00 70.22 N ATOM 0 H GLN A 28 10.963 -18.314 -23.188 1.00 1.11 H new ATOM 0 HA GLN A 28 12.893 -18.654 -20.994 1.00 63.21 H new ATOM 0 HB2 GLN A 28 12.075 -16.094 -22.396 1.00 0.12 H new ATOM 0 HB3 GLN A 28 13.516 -16.386 -21.443 1.00 0.12 H new ATOM 0 HG2 GLN A 28 14.567 -16.749 -23.393 1.00 52.33 H new ATOM 0 HG3 GLN A 28 13.746 -18.297 -23.428 1.00 52.33 H new ATOM 0 HE21 GLN A 28 14.598 -16.136 -25.496 1.00 70.22 H new ATOM 0 HE22 GLN A 28 13.160 -15.958 -26.506 1.00 70.22 H new ATOM 427 N TYR A 29 11.689 -16.769 -19.454 1.00 71.55 N ATOM 428 CA TYR A 29 10.869 -16.232 -18.375 1.00 22.01 C ATOM 429 C TYR A 29 10.195 -14.931 -18.798 1.00 12.42 C ATOM 430 O TYR A 29 10.726 -14.179 -19.616 1.00 0.20 O ATOM 431 CB TYR A 29 11.724 -15.995 -17.128 1.00 2.34 C ATOM 432 CG TYR A 29 11.637 -17.111 -16.112 1.00 1.33 C ATOM 433 CD1 TYR A 29 10.532 -17.234 -15.279 1.00 22.22 C ATOM 434 CD2 TYR A 29 12.660 -18.043 -15.985 1.00 74.04 C ATOM 435 CE1 TYR A 29 10.448 -18.252 -14.348 1.00 13.21 C ATOM 436 CE2 TYR A 29 12.583 -19.065 -15.059 1.00 13.42 C ATOM 437 CZ TYR A 29 11.477 -19.165 -14.243 1.00 73.41 C ATOM 438 OH TYR A 29 11.397 -20.181 -13.318 1.00 12.22 O ATOM 0 H TYR A 29 12.673 -16.506 -19.407 1.00 71.55 H new ATOM 0 HA TYR A 29 10.094 -16.962 -18.144 1.00 22.01 H new ATOM 0 HB2 TYR A 29 12.764 -15.870 -17.429 1.00 2.34 H new ATOM 0 HB3 TYR A 29 11.414 -15.062 -16.657 1.00 2.34 H new ATOM 0 HD1 TYR A 29 9.724 -16.522 -15.360 1.00 22.22 H new ATOM 0 HD2 TYR A 29 13.530 -17.967 -16.621 1.00 74.04 H new ATOM 0 HE1 TYR A 29 9.583 -18.332 -13.707 1.00 13.21 H new ATOM 0 HE2 TYR A 29 13.386 -19.782 -14.975 1.00 13.42 H new ATOM 0 HH TYR A 29 12.229 -20.699 -13.328 1.00 12.22 H new ATOM 448 N LYS A 30 9.021 -14.670 -18.234 1.00 75.32 N ATOM 449 CA LYS A 30 8.272 -13.459 -18.549 1.00 71.33 C ATOM 450 C LYS A 30 7.456 -12.995 -17.347 1.00 65.11 C ATOM 451 O LYS A 30 7.319 -13.719 -16.360 1.00 62.54 O ATOM 452 CB LYS A 30 7.346 -13.704 -19.743 1.00 32.12 C ATOM 453 CG LYS A 30 7.945 -13.283 -21.074 1.00 1.53 C ATOM 454 CD LYS A 30 8.152 -11.779 -21.141 1.00 54.42 C ATOM 455 CE LYS A 30 8.493 -11.327 -22.553 1.00 13.35 C ATOM 456 NZ LYS A 30 7.449 -10.426 -23.115 1.00 10.14 N1+ ATOM 0 H LYS A 30 8.567 -15.282 -17.556 1.00 75.32 H new ATOM 0 HA LYS A 30 8.986 -12.676 -18.805 1.00 71.33 H new ATOM 0 HB2 LYS A 30 7.095 -14.764 -19.786 1.00 32.12 H new ATOM 0 HB3 LYS A 30 6.413 -13.162 -19.586 1.00 32.12 H new ATOM 0 HG2 LYS A 30 8.899 -13.789 -21.221 1.00 1.53 H new ATOM 0 HG3 LYS A 30 7.289 -13.597 -21.885 1.00 1.53 H new ATOM 0 HD2 LYS A 30 7.249 -11.271 -20.803 1.00 54.42 H new ATOM 0 HD3 LYS A 30 8.954 -11.490 -20.461 1.00 54.42 H new ATOM 0 HE2 LYS A 30 9.453 -10.811 -22.547 1.00 13.35 H new ATOM 0 HE3 LYS A 30 8.604 -12.200 -23.197 1.00 13.35 H new ATOM 0 HZ1 LYS A 30 7.719 -10.140 -24.078 1.00 10.14 H new ATOM 0 HZ2 LYS A 30 6.538 -10.927 -23.145 1.00 10.14 H new ATOM 0 HZ3 LYS A 30 7.360 -9.581 -22.515 1.00 10.14 H new ATOM 470 N LEU A 31 6.916 -11.785 -17.436 1.00 54.14 N ATOM 471 CA LEU A 31 6.112 -11.225 -16.355 1.00 75.25 C ATOM 472 C LEU A 31 4.990 -12.181 -15.960 1.00 32.13 C ATOM 473 O LEU A 31 4.548 -12.194 -14.810 1.00 61.02 O ATOM 474 CB LEU A 31 5.523 -9.877 -16.777 1.00 50.45 C ATOM 475 CG LEU A 31 6.478 -8.684 -16.728 1.00 75.55 C ATOM 476 CD1 LEU A 31 6.100 -7.654 -17.782 1.00 41.14 C ATOM 477 CD2 LEU A 31 6.475 -8.055 -15.342 1.00 12.50 C ATOM 0 H LEU A 31 7.020 -11.173 -18.245 1.00 54.14 H new ATOM 0 HA LEU A 31 6.760 -11.077 -15.491 1.00 75.25 H new ATOM 0 HB2 LEU A 31 5.143 -9.971 -17.794 1.00 50.45 H new ATOM 0 HB3 LEU A 31 4.668 -9.660 -16.136 1.00 50.45 H new ATOM 0 HG LEU A 31 7.485 -9.041 -16.942 1.00 75.55 H new ATOM 0 HD11 LEU A 31 6.791 -6.812 -17.732 1.00 41.14 H new ATOM 0 HD12 LEU A 31 6.153 -8.109 -18.771 1.00 41.14 H new ATOM 0 HD13 LEU A 31 5.085 -7.302 -17.599 1.00 41.14 H new ATOM 0 HD21 LEU A 31 7.160 -7.208 -15.326 1.00 12.50 H new ATOM 0 HD22 LEU A 31 5.469 -7.713 -15.100 1.00 12.50 H new ATOM 0 HD23 LEU A 31 6.794 -8.794 -14.607 1.00 12.50 H new ATOM 489 N LYS A 32 4.535 -12.980 -16.918 1.00 74.32 N ATOM 490 CA LYS A 32 3.468 -13.942 -16.671 1.00 22.21 C ATOM 491 C LYS A 32 3.789 -14.811 -15.459 1.00 24.51 C ATOM 492 O LYS A 32 2.890 -15.242 -14.735 1.00 51.33 O ATOM 493 CB LYS A 32 3.253 -14.826 -17.902 1.00 10.13 C ATOM 494 CG LYS A 32 1.985 -14.499 -18.670 1.00 54.42 C ATOM 495 CD LYS A 32 2.188 -13.318 -19.606 1.00 50.22 C ATOM 496 CE LYS A 32 1.580 -13.581 -20.976 1.00 24.03 C ATOM 497 NZ LYS A 32 1.981 -12.545 -21.968 1.00 62.31 N1+ ATOM 0 H LYS A 32 4.889 -12.980 -17.875 1.00 74.32 H new ATOM 0 HA LYS A 32 2.553 -13.386 -16.467 1.00 22.21 H new ATOM 0 HB2 LYS A 32 4.109 -14.721 -18.569 1.00 10.13 H new ATOM 0 HB3 LYS A 32 3.219 -15.869 -17.588 1.00 10.13 H new ATOM 0 HG2 LYS A 32 1.672 -15.370 -19.245 1.00 54.42 H new ATOM 0 HG3 LYS A 32 1.181 -14.275 -17.969 1.00 54.42 H new ATOM 0 HD2 LYS A 32 1.736 -12.426 -19.171 1.00 50.22 H new ATOM 0 HD3 LYS A 32 3.254 -13.116 -19.713 1.00 50.22 H new ATOM 0 HE2 LYS A 32 1.893 -14.563 -21.330 1.00 24.03 H new ATOM 0 HE3 LYS A 32 0.493 -13.603 -20.893 1.00 24.03 H new ATOM 0 HZ1 LYS A 32 1.547 -12.759 -22.888 1.00 62.31 H new ATOM 0 HZ2 LYS A 32 1.660 -11.611 -21.643 1.00 62.31 H new ATOM 0 HZ3 LYS A 32 3.016 -12.541 -22.066 1.00 62.31 H new ATOM 511 N HIS A 33 5.076 -15.063 -15.241 1.00 2.01 N ATOM 512 CA HIS A 33 5.516 -15.878 -14.114 1.00 11.31 C ATOM 513 C HIS A 33 5.620 -15.038 -12.844 1.00 64.53 C ATOM 514 O HIS A 33 5.386 -15.601 -11.774 1.00 65.24 O ATOM 515 CB HIS A 33 6.868 -16.524 -14.422 1.00 63.02 C ATOM 516 CG HIS A 33 6.898 -17.254 -15.730 1.00 14.33 C ATOM 517 ND1 HIS A 33 7.702 -16.875 -16.785 1.00 4.23 N ATOM 518 CD2 HIS A 33 6.217 -18.345 -16.152 1.00 4.41 C ATOM 519 CE1 HIS A 33 7.514 -17.702 -17.798 1.00 43.50 C ATOM 520 NE2 HIS A 33 6.619 -18.604 -17.438 1.00 51.14 N ATOM 0 H HIS A 33 5.832 -14.715 -15.830 1.00 2.01 H new ATOM 0 HA HIS A 33 4.775 -16.661 -13.952 1.00 11.31 H new ATOM 0 HB2 HIS A 33 7.637 -15.752 -14.428 1.00 63.02 H new ATOM 0 HB3 HIS A 33 7.120 -17.219 -13.621 1.00 63.02 H new ATOM 0 HD2 HIS A 33 5.492 -18.907 -15.582 1.00 4.41 H new ATOM 0 HE1 HIS A 33 8.008 -17.649 -18.757 1.00 43.50 H new ATOM 0 HE2 HIS A 33 6.281 -19.369 -18.022 1.00 51.14 H new ATOM 528 N ILE A 34 5.950 -13.755 -12.929 1.00 74.12 N ATOM 529 CA ILE A 34 6.059 -12.914 -11.744 1.00 52.01 C ATOM 530 C ILE A 34 4.684 -12.600 -11.164 1.00 41.35 C ATOM 531 O ILE A 34 4.508 -12.550 -9.947 1.00 3.24 O ATOM 532 CB ILE A 34 6.786 -11.592 -12.057 1.00 31.41 C ATOM 533 CG1 ILE A 34 8.132 -11.871 -12.727 1.00 63.24 C ATOM 534 CG2 ILE A 34 6.979 -10.780 -10.784 1.00 43.15 C ATOM 535 CD1 ILE A 34 8.860 -10.620 -13.164 1.00 0.44 C ATOM 0 H ILE A 34 6.147 -13.274 -13.807 1.00 74.12 H new ATOM 0 HA ILE A 34 6.640 -13.474 -11.012 1.00 52.01 H new ATOM 0 HB ILE A 34 6.173 -11.011 -12.746 1.00 31.41 H new ATOM 0 HG12 ILE A 34 8.765 -12.427 -12.035 1.00 63.24 H new ATOM 0 HG13 ILE A 34 7.971 -12.510 -13.595 1.00 63.24 H new ATOM 0 HG21 ILE A 34 7.494 -9.849 -11.021 1.00 43.15 H new ATOM 0 HG22 ILE A 34 6.007 -10.556 -10.345 1.00 43.15 H new ATOM 0 HG23 ILE A 34 7.575 -11.353 -10.074 1.00 43.15 H new ATOM 0 HD11 ILE A 34 9.806 -10.894 -13.631 1.00 0.44 H new ATOM 0 HD12 ILE A 34 8.247 -10.074 -13.880 1.00 0.44 H new ATOM 0 HD13 ILE A 34 9.053 -9.989 -12.296 1.00 0.44 H new ATOM 547 N VAL A 35 3.710 -12.392 -12.044 1.00 35.24 N ATOM 548 CA VAL A 35 2.349 -12.087 -11.620 1.00 34.45 C ATOM 549 C VAL A 35 1.669 -13.315 -11.025 1.00 3.15 C ATOM 550 O VAL A 35 0.913 -13.211 -10.060 1.00 34.31 O ATOM 551 CB VAL A 35 1.499 -11.562 -12.794 1.00 44.12 C ATOM 552 CG1 VAL A 35 0.080 -11.264 -12.334 1.00 63.03 C ATOM 553 CG2 VAL A 35 2.142 -10.326 -13.405 1.00 23.40 C ATOM 0 H VAL A 35 3.838 -12.429 -13.055 1.00 35.24 H new ATOM 0 HA VAL A 35 2.422 -11.311 -10.858 1.00 34.45 H new ATOM 0 HB VAL A 35 1.451 -12.335 -13.561 1.00 44.12 H new ATOM 0 HG11 VAL A 35 -0.505 -10.894 -13.176 1.00 63.03 H new ATOM 0 HG12 VAL A 35 -0.376 -12.175 -11.947 1.00 63.03 H new ATOM 0 HG13 VAL A 35 0.103 -10.508 -11.549 1.00 63.03 H new ATOM 0 HG21 VAL A 35 1.529 -9.968 -14.232 1.00 23.40 H new ATOM 0 HG22 VAL A 35 2.221 -9.545 -12.648 1.00 23.40 H new ATOM 0 HG23 VAL A 35 3.137 -10.577 -13.773 1.00 23.40 H new ATOM 563 N TRP A 36 1.946 -14.476 -11.605 1.00 52.10 N ATOM 564 CA TRP A 36 1.363 -15.726 -11.132 1.00 33.43 C ATOM 565 C TRP A 36 1.775 -16.007 -9.690 1.00 74.05 C ATOM 566 O TRP A 36 0.928 -16.241 -8.829 1.00 43.20 O ATOM 567 CB TRP A 36 1.789 -16.886 -12.033 1.00 34.43 C ATOM 568 CG TRP A 36 1.264 -18.214 -11.579 1.00 72.33 C ATOM 569 CD1 TRP A 36 0.002 -18.703 -11.762 1.00 24.12 C ATOM 570 CD2 TRP A 36 1.988 -19.223 -10.865 1.00 31.11 C ATOM 571 NE1 TRP A 36 -0.103 -19.955 -11.204 1.00 42.34 N ATOM 572 CE2 TRP A 36 1.102 -20.297 -10.649 1.00 22.13 C ATOM 573 CE3 TRP A 36 3.298 -19.324 -10.390 1.00 1.43 C ATOM 574 CZ2 TRP A 36 1.486 -21.454 -9.977 1.00 14.50 C ATOM 575 CZ3 TRP A 36 3.677 -20.473 -9.723 1.00 10.40 C ATOM 576 CH2 TRP A 36 2.775 -21.527 -9.522 1.00 35.13 C ATOM 0 H TRP A 36 2.571 -14.578 -12.404 1.00 52.10 H new ATOM 0 HA TRP A 36 0.278 -15.628 -11.168 1.00 33.43 H new ATOM 0 HB2 TRP A 36 1.442 -16.694 -13.048 1.00 34.43 H new ATOM 0 HB3 TRP A 36 2.878 -16.927 -12.070 1.00 34.43 H new ATOM 0 HD1 TRP A 36 -0.796 -18.183 -12.270 1.00 24.12 H new ATOM 0 HE1 TRP A 36 -0.942 -20.535 -11.203 1.00 42.34 H new ATOM 0 HE3 TRP A 36 4.001 -18.519 -10.541 1.00 1.43 H new ATOM 0 HZ2 TRP A 36 0.791 -22.266 -9.820 1.00 14.50 H new ATOM 0 HZ3 TRP A 36 4.687 -20.561 -9.350 1.00 10.40 H new ATOM 0 HH2 TRP A 36 3.103 -22.413 -8.999 1.00 35.13 H new ATOM 587 N ALA A 37 3.079 -15.983 -9.438 1.00 11.04 N ATOM 588 CA ALA A 37 3.602 -16.234 -8.101 1.00 5.14 C ATOM 589 C ALA A 37 2.917 -15.345 -7.067 1.00 13.32 C ATOM 590 O ALA A 37 2.521 -15.810 -5.999 1.00 62.41 O ATOM 591 CB ALA A 37 5.108 -16.014 -8.073 1.00 70.23 C ATOM 0 H ALA A 37 3.792 -15.792 -10.142 1.00 11.04 H new ATOM 0 HA ALA A 37 3.392 -17.273 -7.845 1.00 5.14 H new ATOM 0 HB1 ALA A 37 5.485 -16.205 -7.068 1.00 70.23 H new ATOM 0 HB2 ALA A 37 5.588 -16.694 -8.776 1.00 70.23 H new ATOM 0 HB3 ALA A 37 5.331 -14.985 -8.354 1.00 70.23 H new ATOM 597 N SER A 38 2.782 -14.064 -7.393 1.00 12.34 N ATOM 598 CA SER A 38 2.149 -13.108 -6.491 1.00 70.20 C ATOM 599 C SER A 38 0.784 -13.615 -6.034 1.00 12.33 C ATOM 600 O SER A 38 0.433 -13.511 -4.858 1.00 53.43 O ATOM 601 CB SER A 38 1.998 -11.749 -7.178 1.00 23.11 C ATOM 602 OG SER A 38 3.087 -10.897 -6.867 1.00 23.31 O ATOM 0 H SER A 38 3.102 -13.664 -8.275 1.00 12.34 H new ATOM 0 HA SER A 38 2.787 -12.995 -5.615 1.00 70.20 H new ATOM 0 HB2 SER A 38 1.938 -11.888 -8.257 1.00 23.11 H new ATOM 0 HB3 SER A 38 1.065 -11.281 -6.864 1.00 23.11 H new ATOM 0 HG SER A 38 2.968 -10.036 -7.319 1.00 23.31 H new ATOM 608 N ARG A 39 0.019 -14.162 -6.972 1.00 72.22 N ATOM 609 CA ARG A 39 -1.308 -14.684 -6.668 1.00 4.33 C ATOM 610 C ARG A 39 -1.220 -15.866 -5.707 1.00 1.33 C ATOM 611 O ARG A 39 -1.843 -15.862 -4.645 1.00 14.24 O ATOM 612 CB ARG A 39 -2.019 -15.111 -7.953 1.00 54.13 C ATOM 613 CG ARG A 39 -3.535 -15.088 -7.847 1.00 72.14 C ATOM 614 CD ARG A 39 -4.143 -14.048 -8.775 1.00 73.41 C ATOM 615 NE ARG A 39 -5.558 -13.823 -8.493 1.00 63.21 N ATOM 616 CZ ARG A 39 -6.238 -12.773 -8.938 1.00 74.45 C ATOM 617 NH1 ARG A 39 -5.636 -11.857 -9.684 1.00 73.32 N1+ ATOM 618 NH2 ARG A 39 -7.524 -12.638 -8.639 1.00 42.23 N ATOM 0 H ARG A 39 0.295 -14.255 -7.949 1.00 72.22 H new ATOM 0 HA ARG A 39 -1.882 -13.890 -6.190 1.00 4.33 H new ATOM 0 HB2 ARG A 39 -1.710 -14.453 -8.765 1.00 54.13 H new ATOM 0 HB3 ARG A 39 -1.697 -16.118 -8.219 1.00 54.13 H new ATOM 0 HG2 ARG A 39 -3.933 -16.073 -8.092 1.00 72.14 H new ATOM 0 HG3 ARG A 39 -3.826 -14.874 -6.819 1.00 72.14 H new ATOM 0 HD2 ARG A 39 -3.599 -13.109 -8.673 1.00 73.41 H new ATOM 0 HD3 ARG A 39 -4.027 -14.373 -9.809 1.00 73.41 H new ATOM 0 HE ARG A 39 -6.051 -14.510 -7.923 1.00 63.21 H new ATOM 0 HH11 ARG A 39 -4.648 -11.958 -9.917 1.00 73.32 H new ATOM 0 HH12 ARG A 39 -6.161 -11.051 -10.025 1.00 73.32 H new ATOM 0 HH21 ARG A 39 -7.991 -13.341 -8.067 1.00 42.23 H new ATOM 0 HH22 ARG A 39 -8.045 -11.831 -8.981 1.00 42.23 H new ATOM 632 N GLU A 40 -0.443 -16.875 -6.087 1.00 42.15 N ATOM 633 CA GLU A 40 -0.275 -18.063 -5.259 1.00 25.21 C ATOM 634 C GLU A 40 0.263 -17.694 -3.880 1.00 21.21 C ATOM 635 O GLU A 40 -0.025 -18.365 -2.888 1.00 21.12 O ATOM 636 CB GLU A 40 0.670 -19.056 -5.938 1.00 71.22 C ATOM 637 CG GLU A 40 0.304 -20.511 -5.693 1.00 12.02 C ATOM 638 CD GLU A 40 0.050 -21.273 -6.979 1.00 40.50 C ATOM 639 OE1 GLU A 40 -0.818 -20.838 -7.764 1.00 40.13 O ATOM 640 OE2 GLU A 40 0.720 -22.304 -7.200 1.00 15.22 O1- ATOM 0 H GLU A 40 0.080 -16.893 -6.963 1.00 42.15 H new ATOM 0 HA GLU A 40 -1.253 -18.529 -5.136 1.00 25.21 H new ATOM 0 HB2 GLU A 40 0.672 -18.867 -7.011 1.00 71.22 H new ATOM 0 HB3 GLU A 40 1.685 -18.881 -5.581 1.00 71.22 H new ATOM 0 HG2 GLU A 40 1.109 -20.996 -5.141 1.00 12.02 H new ATOM 0 HG3 GLU A 40 -0.586 -20.557 -5.066 1.00 12.02 H new ATOM 647 N LEU A 41 1.047 -16.623 -3.825 1.00 20.45 N ATOM 648 CA LEU A 41 1.626 -16.162 -2.568 1.00 41.31 C ATOM 649 C LEU A 41 0.537 -15.758 -1.580 1.00 73.43 C ATOM 650 O LEU A 41 0.463 -16.288 -0.472 1.00 75.25 O ATOM 651 CB LEU A 41 2.566 -14.982 -2.819 1.00 12.24 C ATOM 652 CG LEU A 41 4.017 -15.336 -3.147 1.00 65.11 C ATOM 653 CD1 LEU A 41 4.743 -14.133 -3.729 1.00 30.42 C ATOM 654 CD2 LEU A 41 4.735 -15.845 -1.905 1.00 53.15 C ATOM 0 H LEU A 41 1.296 -16.057 -4.636 1.00 20.45 H new ATOM 0 HA LEU A 41 2.194 -16.986 -2.136 1.00 41.31 H new ATOM 0 HB2 LEU A 41 2.163 -14.391 -3.641 1.00 12.24 H new ATOM 0 HB3 LEU A 41 2.560 -14.344 -1.935 1.00 12.24 H new ATOM 0 HG LEU A 41 4.017 -16.130 -3.894 1.00 65.11 H new ATOM 0 HD11 LEU A 41 5.774 -14.405 -3.956 1.00 30.42 H new ATOM 0 HD12 LEU A 41 4.243 -13.813 -4.643 1.00 30.42 H new ATOM 0 HD13 LEU A 41 4.734 -13.317 -3.006 1.00 30.42 H new ATOM 0 HD21 LEU A 41 5.766 -16.092 -2.157 1.00 53.15 H new ATOM 0 HD22 LEU A 41 4.724 -15.072 -1.136 1.00 53.15 H new ATOM 0 HD23 LEU A 41 4.229 -16.735 -1.532 1.00 53.15 H new ATOM 666 N GLU A 42 -0.309 -14.819 -1.993 1.00 24.15 N ATOM 667 CA GLU A 42 -1.397 -14.345 -1.144 1.00 3.31 C ATOM 668 C GLU A 42 -2.257 -15.510 -0.662 1.00 34.21 C ATOM 669 O GLU A 42 -2.874 -15.442 0.401 1.00 75.40 O ATOM 670 CB GLU A 42 -2.261 -13.336 -1.901 1.00 21.52 C ATOM 671 CG GLU A 42 -3.536 -12.955 -1.167 1.00 25.11 C ATOM 672 CD GLU A 42 -4.274 -11.810 -1.833 1.00 55.42 C ATOM 673 OE1 GLU A 42 -3.617 -11.008 -2.530 1.00 61.41 O ATOM 674 OE2 GLU A 42 -5.506 -11.717 -1.660 1.00 31.50 O1- ATOM 0 H GLU A 42 -0.262 -14.372 -2.909 1.00 24.15 H new ATOM 0 HA GLU A 42 -0.959 -13.855 -0.274 1.00 3.31 H new ATOM 0 HB2 GLU A 42 -1.675 -12.436 -2.086 1.00 21.52 H new ATOM 0 HB3 GLU A 42 -2.522 -13.752 -2.874 1.00 21.52 H new ATOM 0 HG2 GLU A 42 -4.193 -13.823 -1.113 1.00 25.11 H new ATOM 0 HG3 GLU A 42 -3.291 -12.677 -0.142 1.00 25.11 H new ATOM 681 N ARG A 43 -2.294 -16.577 -1.453 1.00 71.23 N ATOM 682 CA ARG A 43 -3.080 -17.756 -1.110 1.00 75.45 C ATOM 683 C ARG A 43 -2.507 -18.452 0.120 1.00 44.34 C ATOM 684 O ARG A 43 -3.237 -19.079 0.889 1.00 15.43 O ATOM 685 CB ARG A 43 -3.120 -18.730 -2.290 1.00 31.11 C ATOM 686 CG ARG A 43 -4.509 -19.274 -2.584 1.00 1.22 C ATOM 687 CD ARG A 43 -4.477 -20.773 -2.836 1.00 42.00 C ATOM 688 NE ARG A 43 -5.814 -21.362 -2.802 1.00 32.03 N ATOM 689 CZ ARG A 43 -6.459 -21.654 -1.679 1.00 31.02 C ATOM 690 NH1 ARG A 43 -5.894 -21.414 -0.504 1.00 25.53 N1+ ATOM 691 NH2 ARG A 43 -7.673 -22.188 -1.730 1.00 1.30 N ATOM 0 H ARG A 43 -1.789 -16.649 -2.336 1.00 71.23 H new ATOM 0 HA ARG A 43 -4.095 -17.431 -0.882 1.00 75.45 H new ATOM 0 HB2 ARG A 43 -2.741 -18.226 -3.179 1.00 31.11 H new ATOM 0 HB3 ARG A 43 -2.448 -19.564 -2.085 1.00 31.11 H new ATOM 0 HG2 ARG A 43 -5.171 -19.059 -1.745 1.00 1.22 H new ATOM 0 HG3 ARG A 43 -4.923 -18.766 -3.455 1.00 1.22 H new ATOM 0 HD2 ARG A 43 -4.019 -20.968 -3.806 1.00 42.00 H new ATOM 0 HD3 ARG A 43 -3.850 -21.254 -2.085 1.00 42.00 H new ATOM 0 HE ARG A 43 -6.277 -21.559 -3.689 1.00 32.03 H new ATOM 0 HH11 ARG A 43 -4.961 -21.004 -0.461 1.00 25.53 H new ATOM 0 HH12 ARG A 43 -6.392 -21.639 0.357 1.00 25.53 H new ATOM 0 HH21 ARG A 43 -8.111 -22.374 -2.632 1.00 1.30 H new ATOM 0 HH22 ARG A 43 -8.168 -22.412 -0.867 1.00 1.30 H new ATOM 705 N PHE A 44 -1.195 -18.340 0.299 1.00 44.21 N ATOM 706 CA PHE A 44 -0.523 -18.961 1.435 1.00 41.45 C ATOM 707 C PHE A 44 -0.348 -17.962 2.576 1.00 51.04 C ATOM 708 O PHE A 44 0.569 -18.085 3.387 1.00 71.52 O ATOM 709 CB PHE A 44 0.841 -19.510 1.009 1.00 23.35 C ATOM 710 CG PHE A 44 0.752 -20.631 0.013 1.00 22.13 C ATOM 711 CD1 PHE A 44 0.146 -21.830 0.353 1.00 52.13 C ATOM 712 CD2 PHE A 44 1.275 -20.485 -1.261 1.00 61.50 C ATOM 713 CE1 PHE A 44 0.061 -22.863 -0.562 1.00 3.35 C ATOM 714 CE2 PHE A 44 1.193 -21.515 -2.180 1.00 15.13 C ATOM 715 CZ PHE A 44 0.587 -22.705 -1.829 1.00 71.15 C ATOM 0 H PHE A 44 -0.576 -17.825 -0.328 1.00 44.21 H new ATOM 0 HA PHE A 44 -1.145 -19.784 1.788 1.00 41.45 H new ATOM 0 HB2 PHE A 44 1.432 -18.700 0.581 1.00 23.35 H new ATOM 0 HB3 PHE A 44 1.374 -19.861 1.892 1.00 23.35 H new ATOM 0 HD1 PHE A 44 -0.264 -21.959 1.344 1.00 52.13 H new ATOM 0 HD2 PHE A 44 1.752 -19.557 -1.540 1.00 61.50 H new ATOM 0 HE1 PHE A 44 -0.416 -23.792 -0.286 1.00 3.35 H new ATOM 0 HE2 PHE A 44 1.603 -21.389 -3.171 1.00 15.13 H new ATOM 0 HZ PHE A 44 0.524 -23.511 -2.545 1.00 71.15 H new ATOM 725 N ALA A 45 -1.235 -16.974 2.629 1.00 42.24 N ATOM 726 CA ALA A 45 -1.181 -15.955 3.670 1.00 4.42 C ATOM 727 C ALA A 45 0.101 -15.135 3.569 1.00 71.54 C ATOM 728 O ALA A 45 0.533 -14.517 4.542 1.00 30.44 O ATOM 729 CB ALA A 45 -1.291 -16.599 5.045 1.00 13.25 C ATOM 0 H ALA A 45 -1.999 -16.858 1.964 1.00 42.24 H new ATOM 0 HA ALA A 45 -2.025 -15.280 3.528 1.00 4.42 H new ATOM 0 HB1 ALA A 45 -1.249 -15.827 5.813 1.00 13.25 H new ATOM 0 HB2 ALA A 45 -2.237 -17.135 5.121 1.00 13.25 H new ATOM 0 HB3 ALA A 45 -0.466 -17.297 5.187 1.00 13.25 H new ATOM 735 N VAL A 46 0.706 -15.133 2.385 1.00 64.41 N ATOM 736 CA VAL A 46 1.938 -14.388 2.157 1.00 62.21 C ATOM 737 C VAL A 46 1.736 -13.300 1.109 1.00 23.23 C ATOM 738 O VAL A 46 1.306 -13.574 -0.010 1.00 53.45 O ATOM 739 CB VAL A 46 3.079 -15.317 1.704 1.00 40.31 C ATOM 740 CG1 VAL A 46 4.340 -14.516 1.423 1.00 13.54 C ATOM 741 CG2 VAL A 46 3.341 -16.390 2.750 1.00 34.41 C ATOM 0 H VAL A 46 0.362 -15.639 1.569 1.00 64.41 H new ATOM 0 HA VAL A 46 2.210 -13.927 3.107 1.00 62.21 H new ATOM 0 HB VAL A 46 2.777 -15.810 0.780 1.00 40.31 H new ATOM 0 HG11 VAL A 46 5.135 -15.190 1.104 1.00 13.54 H new ATOM 0 HG12 VAL A 46 4.142 -13.790 0.635 1.00 13.54 H new ATOM 0 HG13 VAL A 46 4.648 -13.993 2.328 1.00 13.54 H new ATOM 0 HG21 VAL A 46 4.151 -17.037 2.413 1.00 34.41 H new ATOM 0 HG22 VAL A 46 3.622 -15.919 3.692 1.00 34.41 H new ATOM 0 HG23 VAL A 46 2.439 -16.984 2.896 1.00 34.41 H new ATOM 751 N ASN A 47 2.049 -12.063 1.481 1.00 71.32 N ATOM 752 CA ASN A 47 1.902 -10.931 0.572 1.00 61.34 C ATOM 753 C ASN A 47 2.841 -11.068 -0.622 1.00 33.21 C ATOM 754 O ASN A 47 3.965 -11.555 -0.507 1.00 43.53 O ATOM 755 CB ASN A 47 2.181 -9.620 1.308 1.00 22.12 C ATOM 756 CG ASN A 47 0.969 -9.112 2.064 1.00 75.30 C ATOM 757 OD1 ASN A 47 0.694 -9.545 3.183 1.00 41.25 O ATOM 758 ND2 ASN A 47 0.238 -8.186 1.454 1.00 73.35 N ATOM 0 H ASN A 47 2.406 -11.819 2.405 1.00 71.32 H new ATOM 0 HA ASN A 47 0.876 -10.922 0.205 1.00 61.34 H new ATOM 0 HB2 ASN A 47 3.006 -9.767 2.006 1.00 22.12 H new ATOM 0 HB3 ASN A 47 2.501 -8.865 0.590 1.00 22.12 H new ATOM 0 HD21 ASN A 47 -0.589 -7.805 1.914 1.00 73.35 H new ATOM 0 HD22 ASN A 47 0.504 -7.856 0.526 1.00 73.35 H new ATOM 765 N PRO A 48 2.371 -10.626 -1.799 1.00 0.14 N ATOM 766 CA PRO A 48 3.153 -10.686 -3.036 1.00 75.01 C ATOM 767 C PRO A 48 4.327 -9.713 -3.029 1.00 75.10 C ATOM 768 O PRO A 48 5.175 -9.741 -3.920 1.00 3.20 O ATOM 769 CB PRO A 48 2.140 -10.294 -4.115 1.00 34.12 C ATOM 770 CG PRO A 48 1.126 -9.468 -3.401 1.00 3.23 C ATOM 771 CD PRO A 48 1.039 -10.032 -2.010 1.00 3.34 C ATOM 0 HA PRO A 48 3.600 -11.668 -3.188 1.00 75.01 H new ATOM 0 HB2 PRO A 48 2.615 -9.731 -4.918 1.00 34.12 H new ATOM 0 HB3 PRO A 48 1.685 -11.174 -4.569 1.00 34.12 H new ATOM 0 HG2 PRO A 48 1.422 -8.419 -3.379 1.00 3.23 H new ATOM 0 HG3 PRO A 48 0.160 -9.516 -3.903 1.00 3.23 H new ATOM 0 HD2 PRO A 48 0.824 -9.257 -1.275 1.00 3.34 H new ATOM 0 HD3 PRO A 48 0.249 -10.778 -1.927 1.00 3.34 H new ATOM 779 N GLY A 49 4.369 -8.852 -2.017 1.00 33.14 N ATOM 780 CA GLY A 49 5.445 -7.882 -1.912 1.00 75.40 C ATOM 781 C GLY A 49 6.696 -8.470 -1.293 1.00 11.22 C ATOM 782 O GLY A 49 7.630 -7.742 -0.952 1.00 14.32 O ATOM 0 H GLY A 49 3.678 -8.808 -1.268 1.00 33.14 H new ATOM 0 HA2 GLY A 49 5.681 -7.497 -2.904 1.00 75.40 H new ATOM 0 HA3 GLY A 49 5.110 -7.036 -1.312 1.00 75.40 H new ATOM 786 N LEU A 50 6.718 -9.789 -1.143 1.00 51.30 N ATOM 787 CA LEU A 50 7.865 -10.474 -0.559 1.00 24.22 C ATOM 788 C LEU A 50 8.737 -11.100 -1.642 1.00 71.33 C ATOM 789 O LEU A 50 9.452 -12.072 -1.395 1.00 43.52 O ATOM 790 CB LEU A 50 7.395 -11.552 0.420 1.00 42.12 C ATOM 791 CG LEU A 50 6.543 -11.069 1.593 1.00 22.45 C ATOM 792 CD1 LEU A 50 6.254 -12.214 2.551 1.00 4.11 C ATOM 793 CD2 LEU A 50 7.236 -9.926 2.321 1.00 14.13 C ATOM 0 H LEU A 50 5.954 -10.406 -1.418 1.00 51.30 H new ATOM 0 HA LEU A 50 8.461 -9.737 -0.021 1.00 24.22 H new ATOM 0 HB2 LEU A 50 6.823 -12.295 -0.136 1.00 42.12 H new ATOM 0 HB3 LEU A 50 8.273 -12.059 0.820 1.00 42.12 H new ATOM 0 HG LEU A 50 5.595 -10.702 1.200 1.00 22.45 H new ATOM 0 HD11 LEU A 50 5.646 -11.851 3.380 1.00 4.11 H new ATOM 0 HD12 LEU A 50 5.716 -13.002 2.024 1.00 4.11 H new ATOM 0 HD13 LEU A 50 7.193 -12.611 2.937 1.00 4.11 H new ATOM 0 HD21 LEU A 50 6.615 -9.595 3.153 1.00 14.13 H new ATOM 0 HD22 LEU A 50 8.199 -10.267 2.700 1.00 14.13 H new ATOM 0 HD23 LEU A 50 7.391 -9.096 1.631 1.00 14.13 H new ATOM 805 N LEU A 51 8.674 -10.536 -2.843 1.00 11.44 N ATOM 806 CA LEU A 51 9.460 -11.037 -3.966 1.00 23.10 C ATOM 807 C LEU A 51 10.464 -9.990 -4.438 1.00 73.52 C ATOM 808 O LEU A 51 11.515 -10.325 -4.981 1.00 51.22 O ATOM 809 CB LEU A 51 8.540 -11.436 -5.121 1.00 32.54 C ATOM 810 CG LEU A 51 7.389 -12.379 -4.767 1.00 20.42 C ATOM 811 CD1 LEU A 51 6.355 -12.400 -5.882 1.00 51.31 C ATOM 812 CD2 LEU A 51 7.913 -13.781 -4.496 1.00 32.22 C ATOM 0 H LEU A 51 8.087 -9.732 -3.065 1.00 11.44 H new ATOM 0 HA LEU A 51 10.011 -11.915 -3.629 1.00 23.10 H new ATOM 0 HB2 LEU A 51 8.120 -10.529 -5.554 1.00 32.54 H new ATOM 0 HB3 LEU A 51 9.145 -11.908 -5.895 1.00 32.54 H new ATOM 0 HG LEU A 51 6.908 -12.011 -3.861 1.00 20.42 H new ATOM 0 HD11 LEU A 51 5.543 -13.076 -5.613 1.00 51.31 H new ATOM 0 HD12 LEU A 51 5.957 -11.396 -6.028 1.00 51.31 H new ATOM 0 HD13 LEU A 51 6.822 -12.743 -6.805 1.00 51.31 H new ATOM 0 HD21 LEU A 51 7.080 -14.439 -4.246 1.00 32.22 H new ATOM 0 HD22 LEU A 51 8.419 -14.158 -5.385 1.00 32.22 H new ATOM 0 HD23 LEU A 51 8.616 -13.752 -3.663 1.00 32.22 H new ATOM 824 N GLU A 52 10.131 -8.720 -4.225 1.00 3.42 N ATOM 825 CA GLU A 52 11.005 -7.625 -4.628 1.00 23.14 C ATOM 826 C GLU A 52 12.177 -7.479 -3.662 1.00 23.32 C ATOM 827 O GLU A 52 13.085 -6.677 -3.884 1.00 22.14 O ATOM 828 CB GLU A 52 10.219 -6.314 -4.693 1.00 74.04 C ATOM 829 CG GLU A 52 9.705 -5.843 -3.343 1.00 51.33 C ATOM 830 CD GLU A 52 8.573 -4.842 -3.465 1.00 55.30 C ATOM 831 OE1 GLU A 52 8.859 -3.629 -3.541 1.00 72.22 O1- ATOM 832 OE2 GLU A 52 7.401 -5.273 -3.486 1.00 15.52 O ATOM 0 H GLU A 52 9.264 -8.425 -3.776 1.00 3.42 H new ATOM 0 HA GLU A 52 11.399 -7.855 -5.618 1.00 23.14 H new ATOM 0 HB2 GLU A 52 10.856 -5.539 -5.120 1.00 74.04 H new ATOM 0 HB3 GLU A 52 9.374 -6.440 -5.370 1.00 74.04 H new ATOM 0 HG2 GLU A 52 9.363 -6.704 -2.769 1.00 51.33 H new ATOM 0 HG3 GLU A 52 10.525 -5.392 -2.784 1.00 51.33 H new ATOM 839 N THR A 53 12.150 -8.261 -2.587 1.00 43.42 N ATOM 840 CA THR A 53 13.209 -8.219 -1.585 1.00 71.33 C ATOM 841 C THR A 53 13.881 -9.580 -1.438 1.00 34.34 C ATOM 842 O THR A 53 13.210 -10.602 -1.295 1.00 11.20 O ATOM 843 CB THR A 53 12.666 -7.777 -0.213 1.00 2.00 C ATOM 844 OG1 THR A 53 11.864 -8.818 0.356 1.00 2.43 O ATOM 845 CG2 THR A 53 11.839 -6.506 -0.343 1.00 2.33 C ATOM 0 H THR A 53 11.407 -8.931 -2.388 1.00 43.42 H new ATOM 0 HA THR A 53 13.942 -7.490 -1.930 1.00 71.33 H new ATOM 0 HB THR A 53 13.514 -7.575 0.441 1.00 2.00 H new ATOM 0 HG1 THR A 53 11.790 -8.682 1.324 1.00 2.43 H new ATOM 0 HG21 THR A 53 11.466 -6.213 0.638 1.00 2.33 H new ATOM 0 HG22 THR A 53 12.460 -5.708 -0.748 1.00 2.33 H new ATOM 0 HG23 THR A 53 10.998 -6.686 -1.012 1.00 2.33 H new ATOM 853 N SER A 54 15.209 -9.585 -1.474 1.00 11.23 N ATOM 854 CA SER A 54 15.972 -10.822 -1.348 1.00 14.14 C ATOM 855 C SER A 54 15.597 -11.563 -0.068 1.00 12.02 C ATOM 856 O SER A 54 15.723 -12.784 0.013 1.00 54.05 O ATOM 857 CB SER A 54 17.473 -10.522 -1.356 1.00 54.04 C ATOM 858 OG SER A 54 18.005 -10.546 -0.043 1.00 54.13 O ATOM 0 H SER A 54 15.779 -8.747 -1.589 1.00 11.23 H new ATOM 0 HA SER A 54 15.731 -11.458 -2.200 1.00 14.14 H new ATOM 0 HB2 SER A 54 17.990 -11.255 -1.975 1.00 54.04 H new ATOM 0 HB3 SER A 54 17.649 -9.545 -1.805 1.00 54.04 H new ATOM 0 HG SER A 54 17.550 -9.874 0.507 1.00 54.13 H new ATOM 864 N GLU A 55 15.136 -10.815 0.929 1.00 35.01 N ATOM 865 CA GLU A 55 14.744 -11.400 2.205 1.00 64.44 C ATOM 866 C GLU A 55 13.382 -12.081 2.095 1.00 1.20 C ATOM 867 O GLU A 55 13.210 -13.223 2.519 1.00 5.54 O ATOM 868 CB GLU A 55 14.702 -10.326 3.294 1.00 42.20 C ATOM 869 CG GLU A 55 16.069 -9.981 3.859 1.00 33.35 C ATOM 870 CD GLU A 55 16.560 -8.619 3.407 1.00 12.33 C ATOM 871 OE1 GLU A 55 16.991 -8.502 2.241 1.00 72.14 O ATOM 872 OE2 GLU A 55 16.514 -7.671 4.218 1.00 24.11 O1- ATOM 0 H GLU A 55 15.025 -9.802 0.877 1.00 35.01 H new ATOM 0 HA GLU A 55 15.487 -12.151 2.474 1.00 64.44 H new ATOM 0 HB2 GLU A 55 14.248 -9.423 2.885 1.00 42.20 H new ATOM 0 HB3 GLU A 55 14.058 -10.667 4.105 1.00 42.20 H new ATOM 0 HG2 GLU A 55 16.024 -10.004 4.948 1.00 33.35 H new ATOM 0 HG3 GLU A 55 16.787 -10.742 3.553 1.00 33.35 H new ATOM 879 N GLY A 56 12.416 -11.371 1.521 1.00 33.34 N ATOM 880 CA GLY A 56 11.082 -11.921 1.366 1.00 45.11 C ATOM 881 C GLY A 56 11.088 -13.267 0.668 1.00 32.10 C ATOM 882 O GLY A 56 10.396 -14.195 1.088 1.00 11.12 O ATOM 0 H GLY A 56 12.533 -10.424 1.160 1.00 33.34 H new ATOM 0 HA2 GLY A 56 10.619 -12.026 2.347 1.00 45.11 H new ATOM 0 HA3 GLY A 56 10.468 -11.223 0.797 1.00 45.11 H new ATOM 886 N CYS A 57 11.869 -13.373 -0.401 1.00 73.42 N ATOM 887 CA CYS A 57 11.959 -14.615 -1.162 1.00 2.42 C ATOM 888 C CYS A 57 12.540 -15.736 -0.305 1.00 33.11 C ATOM 889 O CYS A 57 12.122 -16.889 -0.408 1.00 14.45 O ATOM 890 CB CYS A 57 12.821 -14.412 -2.409 1.00 61.22 C ATOM 891 SG CYS A 57 11.878 -14.033 -3.904 1.00 51.50 S ATOM 0 H CYS A 57 12.449 -12.615 -0.761 1.00 73.42 H new ATOM 0 HA CYS A 57 10.952 -14.899 -1.467 1.00 2.42 H new ATOM 0 HB2 CYS A 57 13.526 -13.602 -2.222 1.00 61.22 H new ATOM 0 HB3 CYS A 57 13.409 -15.313 -2.582 1.00 61.22 H new ATOM 0 HG CYS A 57 12.694 -13.876 -4.904 1.00 51.50 H new ATOM 897 N ARG A 58 13.504 -15.388 0.541 1.00 51.11 N ATOM 898 CA ARG A 58 14.144 -16.365 1.414 1.00 73.41 C ATOM 899 C ARG A 58 13.104 -17.125 2.232 1.00 2.30 C ATOM 900 O ARG A 58 13.109 -18.356 2.268 1.00 33.35 O ATOM 901 CB ARG A 58 15.137 -15.673 2.348 1.00 0.42 C ATOM 902 CG ARG A 58 16.342 -16.531 2.701 1.00 35.52 C ATOM 903 CD ARG A 58 17.272 -15.814 3.666 1.00 12.34 C ATOM 904 NE ARG A 58 18.670 -15.914 3.254 1.00 0.52 N ATOM 905 CZ ARG A 58 19.684 -15.446 3.973 1.00 1.14 C ATOM 906 NH1 ARG A 58 19.457 -14.848 5.134 1.00 22.52 N1+ ATOM 907 NH2 ARG A 58 20.928 -15.576 3.531 1.00 11.55 N ATOM 0 H ARG A 58 13.859 -14.437 0.640 1.00 51.11 H new ATOM 0 HA ARG A 58 14.681 -17.078 0.788 1.00 73.41 H new ATOM 0 HB2 ARG A 58 15.483 -14.752 1.879 1.00 0.42 H new ATOM 0 HB3 ARG A 58 14.622 -15.389 3.266 1.00 0.42 H new ATOM 0 HG2 ARG A 58 16.006 -17.467 3.146 1.00 35.52 H new ATOM 0 HG3 ARG A 58 16.886 -16.788 1.792 1.00 35.52 H new ATOM 0 HD2 ARG A 58 16.987 -14.764 3.731 1.00 12.34 H new ATOM 0 HD3 ARG A 58 17.157 -16.238 4.663 1.00 12.34 H new ATOM 0 HE ARG A 58 18.879 -16.368 2.365 1.00 0.52 H new ATOM 0 HH11 ARG A 58 18.502 -14.746 5.477 1.00 22.52 H new ATOM 0 HH12 ARG A 58 20.237 -14.490 5.684 1.00 22.52 H new ATOM 0 HH21 ARG A 58 21.107 -16.036 2.638 1.00 11.55 H new ATOM 0 HH22 ARG A 58 21.706 -15.216 4.084 1.00 11.55 H new ATOM 921 N GLN A 59 12.217 -16.385 2.886 1.00 21.44 N ATOM 922 CA GLN A 59 11.172 -16.990 3.705 1.00 13.23 C ATOM 923 C GLN A 59 10.265 -17.878 2.861 1.00 71.13 C ATOM 924 O GLN A 59 9.745 -18.885 3.341 1.00 43.15 O ATOM 925 CB GLN A 59 10.344 -15.905 4.396 1.00 2.25 C ATOM 926 CG GLN A 59 10.572 -15.830 5.897 1.00 30.42 C ATOM 927 CD GLN A 59 10.117 -14.511 6.491 1.00 5.45 C ATOM 928 OE1 GLN A 59 9.523 -13.680 5.805 1.00 33.22 O ATOM 929 NE2 GLN A 59 10.395 -14.313 7.775 1.00 61.32 N ATOM 0 H GLN A 59 12.200 -15.365 2.866 1.00 21.44 H new ATOM 0 HA GLN A 59 11.652 -17.609 4.463 1.00 13.23 H new ATOM 0 HB2 GLN A 59 10.583 -14.939 3.952 1.00 2.25 H new ATOM 0 HB3 GLN A 59 9.287 -16.090 4.206 1.00 2.25 H new ATOM 0 HG2 GLN A 59 10.038 -16.647 6.383 1.00 30.42 H new ATOM 0 HG3 GLN A 59 11.632 -15.972 6.107 1.00 30.42 H new ATOM 0 HE21 GLN A 59 10.890 -15.030 8.306 1.00 61.32 H new ATOM 0 HE22 GLN A 59 10.114 -13.444 8.230 1.00 61.32 H new ATOM 938 N ILE A 60 10.079 -17.498 1.601 1.00 23.34 N ATOM 939 CA ILE A 60 9.234 -18.260 0.690 1.00 23.11 C ATOM 940 C ILE A 60 9.883 -19.591 0.324 1.00 22.41 C ATOM 941 O ILE A 60 9.217 -20.627 0.280 1.00 31.20 O ATOM 942 CB ILE A 60 8.943 -17.472 -0.601 1.00 1.20 C ATOM 943 CG1 ILE A 60 8.261 -16.144 -0.270 1.00 74.11 C ATOM 944 CG2 ILE A 60 8.079 -18.298 -1.542 1.00 62.34 C ATOM 945 CD1 ILE A 60 8.331 -15.132 -1.393 1.00 3.20 C ATOM 0 H ILE A 60 10.502 -16.667 1.188 1.00 23.34 H new ATOM 0 HA ILE A 60 8.295 -18.446 1.211 1.00 23.11 H new ATOM 0 HB ILE A 60 9.888 -17.259 -1.101 1.00 1.20 H new ATOM 0 HG12 ILE A 60 7.215 -16.333 -0.026 1.00 74.11 H new ATOM 0 HG13 ILE A 60 8.724 -15.719 0.621 1.00 74.11 H new ATOM 0 HG21 ILE A 60 7.882 -17.728 -2.450 1.00 62.34 H new ATOM 0 HG22 ILE A 60 8.600 -19.220 -1.799 1.00 62.34 H new ATOM 0 HG23 ILE A 60 7.135 -18.539 -1.053 1.00 62.34 H new ATOM 0 HD11 ILE A 60 7.827 -14.215 -1.088 1.00 3.20 H new ATOM 0 HD12 ILE A 60 9.374 -14.914 -1.622 1.00 3.20 H new ATOM 0 HD13 ILE A 60 7.842 -15.537 -2.279 1.00 3.20 H new ATOM 957 N LEU A 61 11.184 -19.557 0.066 1.00 42.54 N ATOM 958 CA LEU A 61 11.925 -20.762 -0.294 1.00 70.12 C ATOM 959 C LEU A 61 12.131 -21.658 0.924 1.00 74.35 C ATOM 960 O LEU A 61 12.260 -22.875 0.796 1.00 2.42 O ATOM 961 CB LEU A 61 13.278 -20.390 -0.903 1.00 3.53 C ATOM 962 CG LEU A 61 13.232 -19.575 -2.195 1.00 71.42 C ATOM 963 CD1 LEU A 61 14.431 -18.645 -2.283 1.00 42.22 C ATOM 964 CD2 LEU A 61 13.177 -20.496 -3.405 1.00 12.43 C ATOM 0 H LEU A 61 11.749 -18.709 0.099 1.00 42.54 H new ATOM 0 HA LEU A 61 11.341 -21.312 -1.032 1.00 70.12 H new ATOM 0 HB2 LEU A 61 13.845 -19.826 -0.162 1.00 3.53 H new ATOM 0 HB3 LEU A 61 13.832 -21.309 -1.096 1.00 3.53 H new ATOM 0 HG LEU A 61 12.328 -18.967 -2.186 1.00 71.42 H new ATOM 0 HD11 LEU A 61 14.381 -18.073 -3.210 1.00 42.22 H new ATOM 0 HD12 LEU A 61 14.424 -17.962 -1.434 1.00 42.22 H new ATOM 0 HD13 LEU A 61 15.349 -19.233 -2.269 1.00 42.22 H new ATOM 0 HD21 LEU A 61 13.145 -19.898 -4.316 1.00 12.43 H new ATOM 0 HD22 LEU A 61 14.062 -21.131 -3.419 1.00 12.43 H new ATOM 0 HD23 LEU A 61 12.284 -21.119 -3.348 1.00 12.43 H new ATOM 976 N GLY A 62 12.158 -21.048 2.104 1.00 33.22 N ATOM 977 CA GLY A 62 12.346 -21.806 3.327 1.00 22.11 C ATOM 978 C GLY A 62 11.156 -22.687 3.652 1.00 11.32 C ATOM 979 O GLY A 62 11.311 -23.754 4.246 1.00 71.24 O ATOM 0 H GLY A 62 12.053 -20.042 2.235 1.00 33.22 H new ATOM 0 HA2 GLY A 62 13.238 -22.426 3.233 1.00 22.11 H new ATOM 0 HA3 GLY A 62 12.521 -21.118 4.154 1.00 22.11 H new ATOM 983 N GLN A 63 9.967 -22.240 3.263 1.00 23.53 N ATOM 984 CA GLN A 63 8.746 -22.995 3.519 1.00 31.21 C ATOM 985 C GLN A 63 8.482 -23.998 2.401 1.00 64.11 C ATOM 986 O GLN A 63 7.839 -25.027 2.616 1.00 11.03 O ATOM 987 CB GLN A 63 7.555 -22.046 3.661 1.00 21.52 C ATOM 988 CG GLN A 63 7.331 -21.558 5.083 1.00 11.23 C ATOM 989 CD GLN A 63 6.614 -20.223 5.136 1.00 3.23 C ATOM 990 OE1 GLN A 63 6.669 -19.438 4.189 1.00 71.34 O ATOM 991 NE2 GLN A 63 5.936 -19.959 6.248 1.00 53.43 N ATOM 0 H GLN A 63 9.823 -21.359 2.769 1.00 23.53 H new ATOM 0 HA GLN A 63 8.877 -23.544 4.451 1.00 31.21 H new ATOM 0 HB2 GLN A 63 7.708 -21.185 3.010 1.00 21.52 H new ATOM 0 HB3 GLN A 63 6.654 -22.552 3.314 1.00 21.52 H new ATOM 0 HG2 GLN A 63 6.750 -22.300 5.630 1.00 11.23 H new ATOM 0 HG3 GLN A 63 8.293 -21.470 5.589 1.00 11.23 H new ATOM 0 HE21 GLN A 63 5.918 -20.639 7.008 1.00 53.43 H new ATOM 0 HE22 GLN A 63 5.434 -19.076 6.342 1.00 53.43 H new ATOM 1000 N LEU A 64 8.981 -23.693 1.209 1.00 4.13 N ATOM 1001 CA LEU A 64 8.799 -24.568 0.056 1.00 3.53 C ATOM 1002 C LEU A 64 9.883 -25.641 0.011 1.00 31.20 C ATOM 1003 O LEU A 64 9.678 -26.720 -0.544 1.00 23.20 O ATOM 1004 CB LEU A 64 8.819 -23.752 -1.237 1.00 70.30 C ATOM 1005 CG LEU A 64 7.628 -22.820 -1.461 1.00 22.24 C ATOM 1006 CD1 LEU A 64 7.911 -21.855 -2.601 1.00 51.51 C ATOM 1007 CD2 LEU A 64 6.366 -23.623 -1.740 1.00 5.23 C ATOM 0 H LEU A 64 9.515 -22.846 1.015 1.00 4.13 H new ATOM 0 HA LEU A 64 7.831 -25.059 0.153 1.00 3.53 H new ATOM 0 HB2 LEU A 64 9.730 -23.154 -1.252 1.00 70.30 H new ATOM 0 HB3 LEU A 64 8.877 -24.443 -2.078 1.00 70.30 H new ATOM 0 HG LEU A 64 7.471 -22.239 -0.552 1.00 22.24 H new ATOM 0 HD11 LEU A 64 7.052 -21.200 -2.745 1.00 51.51 H new ATOM 0 HD12 LEU A 64 8.788 -21.255 -2.360 1.00 51.51 H new ATOM 0 HD13 LEU A 64 8.096 -22.417 -3.516 1.00 51.51 H new ATOM 0 HD21 LEU A 64 5.529 -22.943 -1.897 1.00 5.23 H new ATOM 0 HD22 LEU A 64 6.512 -24.231 -2.633 1.00 5.23 H new ATOM 0 HD23 LEU A 64 6.152 -24.271 -0.890 1.00 5.23 H new ATOM 1019 N GLN A 65 11.035 -25.336 0.599 1.00 53.22 N ATOM 1020 CA GLN A 65 12.151 -26.275 0.625 1.00 25.45 C ATOM 1021 C GLN A 65 11.705 -27.634 1.158 1.00 32.05 C ATOM 1022 O GLN A 65 11.773 -28.651 0.468 1.00 13.22 O ATOM 1023 CB GLN A 65 13.287 -25.723 1.488 1.00 42.44 C ATOM 1024 CG GLN A 65 14.521 -25.332 0.690 1.00 71.02 C ATOM 1025 CD GLN A 65 15.488 -26.484 0.506 1.00 43.43 C ATOM 1026 OE1 GLN A 65 15.697 -26.962 -0.610 1.00 25.04 O ATOM 1027 NE2 GLN A 65 16.084 -26.938 1.602 1.00 32.41 N ATOM 0 H GLN A 65 11.220 -24.447 1.063 1.00 53.22 H new ATOM 0 HA GLN A 65 12.510 -26.405 -0.396 1.00 25.45 H new ATOM 0 HB2 GLN A 65 12.927 -24.852 2.035 1.00 42.44 H new ATOM 0 HB3 GLN A 65 13.566 -26.472 2.230 1.00 42.44 H new ATOM 0 HG2 GLN A 65 14.214 -24.961 -0.288 1.00 71.02 H new ATOM 0 HG3 GLN A 65 15.031 -24.512 1.196 1.00 71.02 H new ATOM 0 HE21 GLN A 65 15.881 -26.512 2.506 1.00 32.41 H new ATOM 0 HE22 GLN A 65 16.745 -27.713 1.540 1.00 32.41 H new ATOM 1036 N PRO A 66 11.239 -27.652 2.416 1.00 42.13 N ATOM 1037 CA PRO A 66 10.774 -28.880 3.069 1.00 71.04 C ATOM 1038 C PRO A 66 9.468 -29.394 2.472 1.00 63.04 C ATOM 1039 O PRO A 66 9.095 -30.550 2.673 1.00 13.54 O ATOM 1040 CB PRO A 66 10.564 -28.451 4.523 1.00 14.41 C ATOM 1041 CG PRO A 66 10.312 -26.984 4.453 1.00 54.04 C ATOM 1042 CD PRO A 66 11.129 -26.478 3.297 1.00 2.54 C ATOM 0 HA PRO A 66 11.484 -29.699 2.950 1.00 71.04 H new ATOM 0 HB2 PRO A 66 9.722 -28.976 4.973 1.00 14.41 H new ATOM 0 HB3 PRO A 66 11.440 -28.673 5.132 1.00 14.41 H new ATOM 0 HG2 PRO A 66 9.253 -26.777 4.302 1.00 54.04 H new ATOM 0 HG3 PRO A 66 10.604 -26.493 5.381 1.00 54.04 H new ATOM 0 HD2 PRO A 66 10.640 -25.643 2.795 1.00 2.54 H new ATOM 0 HD3 PRO A 66 12.108 -26.126 3.621 1.00 2.54 H new ATOM 1050 N SER A 67 8.777 -28.529 1.737 1.00 35.01 N ATOM 1051 CA SER A 67 7.510 -28.895 1.113 1.00 43.50 C ATOM 1052 C SER A 67 7.745 -29.619 -0.209 1.00 22.11 C ATOM 1053 O SER A 67 6.916 -30.417 -0.649 1.00 10.33 O ATOM 1054 CB SER A 67 6.653 -27.650 0.881 1.00 21.14 C ATOM 1055 OG SER A 67 5.569 -27.600 1.792 1.00 73.34 O ATOM 0 H SER A 67 9.073 -27.569 1.559 1.00 35.01 H new ATOM 0 HA SER A 67 6.982 -29.569 1.788 1.00 43.50 H new ATOM 0 HB2 SER A 67 7.267 -26.756 0.992 1.00 21.14 H new ATOM 0 HB3 SER A 67 6.274 -27.651 -0.141 1.00 21.14 H new ATOM 0 HG SER A 67 5.037 -26.794 1.624 1.00 73.34 H new ATOM 1061 N LEU A 68 8.880 -29.335 -0.838 1.00 40.12 N ATOM 1062 CA LEU A 68 9.227 -29.958 -2.111 1.00 25.50 C ATOM 1063 C LEU A 68 9.116 -31.477 -2.021 1.00 52.23 C ATOM 1064 O LEU A 68 8.819 -32.146 -3.011 1.00 45.23 O ATOM 1065 CB LEU A 68 10.644 -29.563 -2.527 1.00 22.14 C ATOM 1066 CG LEU A 68 10.795 -28.182 -3.167 1.00 74.23 C ATOM 1067 CD1 LEU A 68 12.219 -27.675 -3.012 1.00 11.41 C ATOM 1068 CD2 LEU A 68 10.400 -28.230 -4.636 1.00 43.34 C ATOM 0 H LEU A 68 9.576 -28.677 -0.487 1.00 40.12 H new ATOM 0 HA LEU A 68 8.523 -29.604 -2.864 1.00 25.50 H new ATOM 0 HB2 LEU A 68 11.285 -29.605 -1.646 1.00 22.14 H new ATOM 0 HB3 LEU A 68 11.017 -30.309 -3.229 1.00 22.14 H new ATOM 0 HG LEU A 68 10.128 -27.489 -2.654 1.00 74.23 H new ATOM 0 HD11 LEU A 68 12.307 -26.691 -3.473 1.00 11.41 H new ATOM 0 HD12 LEU A 68 12.466 -27.603 -1.953 1.00 11.41 H new ATOM 0 HD13 LEU A 68 12.907 -28.367 -3.498 1.00 11.41 H new ATOM 0 HD21 LEU A 68 10.513 -27.239 -5.076 1.00 43.34 H new ATOM 0 HD22 LEU A 68 11.042 -28.936 -5.162 1.00 43.34 H new ATOM 0 HD23 LEU A 68 9.361 -28.549 -4.723 1.00 43.34 H new ATOM 1080 N GLN A 69 9.354 -32.013 -0.829 1.00 4.31 N ATOM 1081 CA GLN A 69 9.281 -33.454 -0.611 1.00 21.25 C ATOM 1082 C GLN A 69 7.897 -33.987 -0.967 1.00 53.21 C ATOM 1083 O GLN A 69 7.762 -34.886 -1.798 1.00 73.23 O ATOM 1084 CB GLN A 69 9.609 -33.788 0.845 1.00 22.35 C ATOM 1085 CG GLN A 69 9.986 -35.244 1.066 1.00 14.25 C ATOM 1086 CD GLN A 69 9.838 -35.672 2.512 1.00 50.04 C ATOM 1087 OE1 GLN A 69 10.774 -36.200 3.114 1.00 44.14 O ATOM 1088 NE2 GLN A 69 8.658 -35.448 3.078 1.00 12.13 N ATOM 0 H GLN A 69 9.599 -31.472 0.001 1.00 4.31 H new ATOM 0 HA GLN A 69 10.014 -33.933 -1.260 1.00 21.25 H new ATOM 0 HB2 GLN A 69 10.431 -33.154 1.178 1.00 22.35 H new ATOM 0 HB3 GLN A 69 8.747 -33.546 1.467 1.00 22.35 H new ATOM 0 HG2 GLN A 69 9.359 -35.877 0.438 1.00 14.25 H new ATOM 0 HG3 GLN A 69 11.017 -35.401 0.748 1.00 14.25 H new ATOM 0 HE21 GLN A 69 7.910 -35.008 2.542 1.00 12.13 H new ATOM 0 HE22 GLN A 69 8.499 -35.716 4.049 1.00 12.13 H new ATOM 1097 N THR A 70 6.871 -33.428 -0.333 1.00 50.24 N ATOM 1098 CA THR A 70 5.498 -33.849 -0.582 1.00 54.13 C ATOM 1099 C THR A 70 4.691 -32.734 -1.239 1.00 44.45 C ATOM 1100 O THR A 70 3.533 -32.508 -0.895 1.00 22.12 O ATOM 1101 CB THR A 70 4.796 -34.277 0.719 1.00 23.34 C ATOM 1102 OG1 THR A 70 5.762 -34.756 1.662 1.00 71.43 O ATOM 1103 CG2 THR A 70 3.764 -35.361 0.449 1.00 53.41 C ATOM 0 H THR A 70 6.965 -32.683 0.357 1.00 50.24 H new ATOM 0 HA THR A 70 5.548 -34.704 -1.257 1.00 54.13 H new ATOM 0 HB THR A 70 4.285 -33.407 1.131 1.00 23.34 H new ATOM 0 HG1 THR A 70 5.308 -35.025 2.488 1.00 71.43 H new ATOM 0 HG21 THR A 70 3.282 -35.646 1.384 1.00 53.41 H new ATOM 0 HG22 THR A 70 3.013 -34.984 -0.246 1.00 53.41 H new ATOM 0 HG23 THR A 70 4.256 -36.231 0.014 1.00 53.41 H new ATOM 1111 N GLY A 71 5.312 -32.041 -2.188 1.00 14.42 N ATOM 1112 CA GLY A 71 4.637 -30.958 -2.878 1.00 21.34 C ATOM 1113 C GLY A 71 4.063 -31.389 -4.214 1.00 5.43 C ATOM 1114 O GLY A 71 4.374 -32.473 -4.708 1.00 35.32 O ATOM 0 H GLY A 71 6.271 -32.210 -2.491 1.00 14.42 H new ATOM 0 HA2 GLY A 71 3.834 -30.575 -2.248 1.00 21.34 H new ATOM 0 HA3 GLY A 71 5.338 -30.138 -3.035 1.00 21.34 H new ATOM 1118 N SER A 72 3.224 -30.540 -4.797 1.00 60.52 N ATOM 1119 CA SER A 72 2.601 -30.842 -6.081 1.00 24.31 C ATOM 1120 C SER A 72 3.121 -29.909 -7.169 1.00 0.42 C ATOM 1121 O SER A 72 4.055 -29.138 -6.947 1.00 43.13 O ATOM 1122 CB SER A 72 1.080 -30.720 -5.974 1.00 64.53 C ATOM 1123 OG SER A 72 0.644 -29.425 -6.346 1.00 71.40 O ATOM 0 H SER A 72 2.960 -29.638 -4.401 1.00 60.52 H new ATOM 0 HA SER A 72 2.859 -31.866 -6.351 1.00 24.31 H new ATOM 0 HB2 SER A 72 0.607 -31.464 -6.614 1.00 64.53 H new ATOM 0 HB3 SER A 72 0.766 -30.933 -4.952 1.00 64.53 H new ATOM 0 HG SER A 72 -0.332 -29.374 -6.270 1.00 71.40 H new ATOM 1129 N GLU A 73 2.511 -29.986 -8.348 1.00 22.42 N ATOM 1130 CA GLU A 73 2.913 -29.150 -9.472 1.00 31.34 C ATOM 1131 C GLU A 73 2.877 -27.672 -9.091 1.00 54.11 C ATOM 1132 O GLU A 73 3.688 -26.878 -9.567 1.00 54.13 O ATOM 1133 CB GLU A 73 2.001 -29.400 -10.675 1.00 25.13 C ATOM 1134 CG GLU A 73 2.513 -28.784 -11.965 1.00 52.22 C ATOM 1135 CD GLU A 73 2.625 -29.794 -13.090 1.00 3.40 C ATOM 1136 OE1 GLU A 73 1.635 -29.971 -13.830 1.00 10.12 O ATOM 1137 OE2 GLU A 73 3.704 -30.410 -13.231 1.00 22.22 O1- ATOM 0 H GLU A 73 1.737 -30.619 -8.549 1.00 22.42 H new ATOM 0 HA GLU A 73 3.936 -29.414 -9.740 1.00 31.34 H new ATOM 0 HB2 GLU A 73 1.886 -30.475 -10.816 1.00 25.13 H new ATOM 0 HB3 GLU A 73 1.011 -28.999 -10.459 1.00 25.13 H new ATOM 0 HG2 GLU A 73 1.844 -27.979 -12.270 1.00 52.22 H new ATOM 0 HG3 GLU A 73 3.490 -28.335 -11.786 1.00 52.22 H new ATOM 1144 N GLU A 74 1.931 -27.312 -8.230 1.00 60.51 N ATOM 1145 CA GLU A 74 1.789 -25.930 -7.787 1.00 24.51 C ATOM 1146 C GLU A 74 3.020 -25.480 -7.005 1.00 71.40 C ATOM 1147 O GLU A 74 3.456 -24.334 -7.119 1.00 3.13 O ATOM 1148 CB GLU A 74 0.537 -25.775 -6.921 1.00 35.20 C ATOM 1149 CG GLU A 74 -0.634 -25.139 -7.652 1.00 31.24 C ATOM 1150 CD GLU A 74 -1.641 -24.514 -6.707 1.00 21.32 C ATOM 1151 OE1 GLU A 74 -1.595 -24.825 -5.498 1.00 60.11 O1- ATOM 1152 OE2 GLU A 74 -2.477 -23.713 -7.176 1.00 11.40 O ATOM 0 H GLU A 74 1.252 -27.957 -7.826 1.00 60.51 H new ATOM 0 HA GLU A 74 1.691 -25.300 -8.671 1.00 24.51 H new ATOM 0 HB2 GLU A 74 0.236 -26.756 -6.554 1.00 35.20 H new ATOM 0 HB3 GLU A 74 0.782 -25.170 -6.048 1.00 35.20 H new ATOM 0 HG2 GLU A 74 -0.260 -24.376 -8.335 1.00 31.24 H new ATOM 0 HG3 GLU A 74 -1.132 -25.895 -8.260 1.00 31.24 H new ATOM 1159 N LEU A 75 3.574 -26.389 -6.211 1.00 64.22 N ATOM 1160 CA LEU A 75 4.754 -26.087 -5.409 1.00 61.03 C ATOM 1161 C LEU A 75 6.000 -26.001 -6.285 1.00 11.34 C ATOM 1162 O LEU A 75 6.893 -25.191 -6.033 1.00 70.14 O ATOM 1163 CB LEU A 75 4.949 -27.154 -4.330 1.00 40.52 C ATOM 1164 CG LEU A 75 5.671 -26.700 -3.061 1.00 64.51 C ATOM 1165 CD1 LEU A 75 4.683 -26.534 -1.916 1.00 73.14 C ATOM 1166 CD2 LEU A 75 6.762 -27.692 -2.684 1.00 33.10 C ATOM 0 H LEU A 75 3.225 -27.342 -6.105 1.00 64.22 H new ATOM 0 HA LEU A 75 4.600 -25.120 -4.931 1.00 61.03 H new ATOM 0 HB2 LEU A 75 3.970 -27.541 -4.048 1.00 40.52 H new ATOM 0 HB3 LEU A 75 5.507 -27.984 -4.764 1.00 40.52 H new ATOM 0 HG LEU A 75 6.137 -25.734 -3.257 1.00 64.51 H new ATOM 0 HD11 LEU A 75 5.214 -26.211 -1.021 1.00 73.14 H new ATOM 0 HD12 LEU A 75 3.937 -25.787 -2.185 1.00 73.14 H new ATOM 0 HD13 LEU A 75 4.189 -27.486 -1.721 1.00 73.14 H new ATOM 0 HD21 LEU A 75 7.265 -27.353 -1.779 1.00 33.10 H new ATOM 0 HD22 LEU A 75 6.318 -28.671 -2.507 1.00 33.10 H new ATOM 0 HD23 LEU A 75 7.485 -27.763 -3.496 1.00 33.10 H new ATOM 1178 N ARG A 76 6.052 -26.837 -7.316 1.00 63.10 N ATOM 1179 CA ARG A 76 7.187 -26.855 -8.230 1.00 53.11 C ATOM 1180 C ARG A 76 7.365 -25.497 -8.901 1.00 12.35 C ATOM 1181 O ARG A 76 8.430 -24.885 -8.815 1.00 14.21 O ATOM 1182 CB ARG A 76 6.998 -27.940 -9.292 1.00 11.33 C ATOM 1183 CG ARG A 76 7.801 -29.202 -9.022 1.00 5.10 C ATOM 1184 CD ARG A 76 8.501 -29.696 -10.277 1.00 55.31 C ATOM 1185 NE ARG A 76 7.669 -30.622 -11.041 1.00 33.21 N ATOM 1186 CZ ARG A 76 8.061 -31.203 -12.170 1.00 13.22 C ATOM 1187 NH1 ARG A 76 9.266 -30.955 -12.663 1.00 2.32 N1+ ATOM 1188 NH2 ARG A 76 7.246 -32.034 -12.807 1.00 13.41 N ATOM 0 H ARG A 76 5.320 -27.512 -7.540 1.00 63.10 H new ATOM 0 HA ARG A 76 8.084 -27.076 -7.651 1.00 53.11 H new ATOM 0 HB2 ARG A 76 5.941 -28.198 -9.352 1.00 11.33 H new ATOM 0 HB3 ARG A 76 7.284 -27.539 -10.264 1.00 11.33 H new ATOM 0 HG2 ARG A 76 8.540 -29.005 -8.246 1.00 5.10 H new ATOM 0 HG3 ARG A 76 7.140 -29.981 -8.642 1.00 5.10 H new ATOM 0 HD2 ARG A 76 8.764 -28.844 -10.904 1.00 55.31 H new ATOM 0 HD3 ARG A 76 9.433 -30.189 -10.002 1.00 55.31 H new ATOM 0 HE ARG A 76 6.736 -30.834 -10.689 1.00 33.21 H new ATOM 0 HH11 ARG A 76 9.895 -30.317 -12.176 1.00 2.32 H new ATOM 0 HH12 ARG A 76 9.564 -31.402 -13.530 1.00 2.32 H new ATOM 0 HH21 ARG A 76 6.318 -32.227 -12.430 1.00 13.41 H new ATOM 0 HH22 ARG A 76 7.547 -32.480 -13.674 1.00 13.41 H new ATOM 1202 N SER A 77 6.316 -25.031 -9.571 1.00 34.43 N ATOM 1203 CA SER A 77 6.357 -23.746 -10.261 1.00 65.25 C ATOM 1204 C SER A 77 6.792 -22.635 -9.312 1.00 32.45 C ATOM 1205 O SER A 77 7.459 -21.682 -9.719 1.00 23.25 O ATOM 1206 CB SER A 77 4.986 -23.419 -10.854 1.00 74.14 C ATOM 1207 OG SER A 77 4.784 -24.101 -12.080 1.00 33.03 O ATOM 0 H SER A 77 5.427 -25.524 -9.651 1.00 34.43 H new ATOM 0 HA SER A 77 7.086 -23.817 -11.068 1.00 65.25 H new ATOM 0 HB2 SER A 77 4.205 -23.697 -10.147 1.00 74.14 H new ATOM 0 HB3 SER A 77 4.903 -22.344 -11.014 1.00 74.14 H new ATOM 0 HG SER A 77 3.900 -23.876 -12.437 1.00 33.03 H new ATOM 1213 N LEU A 78 6.410 -22.761 -8.046 1.00 45.24 N ATOM 1214 CA LEU A 78 6.760 -21.768 -7.038 1.00 35.02 C ATOM 1215 C LEU A 78 8.259 -21.784 -6.754 1.00 64.42 C ATOM 1216 O LEU A 78 8.967 -20.821 -7.046 1.00 14.43 O ATOM 1217 CB LEU A 78 5.981 -22.026 -5.747 1.00 12.53 C ATOM 1218 CG LEU A 78 4.908 -20.996 -5.393 1.00 31.32 C ATOM 1219 CD1 LEU A 78 3.940 -20.814 -6.552 1.00 41.41 C ATOM 1220 CD2 LEU A 78 4.162 -21.414 -4.134 1.00 44.41 C ATOM 0 H LEU A 78 5.857 -23.542 -7.693 1.00 45.24 H new ATOM 0 HA LEU A 78 6.494 -20.784 -7.425 1.00 35.02 H new ATOM 0 HB2 LEU A 78 5.506 -23.004 -5.822 1.00 12.53 H new ATOM 0 HB3 LEU A 78 6.691 -22.079 -4.922 1.00 12.53 H new ATOM 0 HG LEU A 78 5.397 -20.041 -5.201 1.00 31.32 H new ATOM 0 HD11 LEU A 78 3.183 -20.077 -6.282 1.00 41.41 H new ATOM 0 HD12 LEU A 78 4.485 -20.469 -7.431 1.00 41.41 H new ATOM 0 HD13 LEU A 78 3.457 -21.765 -6.775 1.00 41.41 H new ATOM 0 HD21 LEU A 78 3.402 -20.669 -3.897 1.00 44.41 H new ATOM 0 HD22 LEU A 78 3.685 -22.380 -4.298 1.00 44.41 H new ATOM 0 HD23 LEU A 78 4.864 -21.493 -3.304 1.00 44.41 H new ATOM 1232 N TYR A 79 8.735 -22.885 -6.184 1.00 73.24 N ATOM 1233 CA TYR A 79 10.150 -23.028 -5.860 1.00 61.50 C ATOM 1234 C TYR A 79 11.018 -22.764 -7.086 1.00 3.12 C ATOM 1235 O TYR A 79 12.162 -22.329 -6.967 1.00 54.10 O ATOM 1236 CB TYR A 79 10.430 -24.430 -5.314 1.00 15.25 C ATOM 1237 CG TYR A 79 11.716 -24.524 -4.524 1.00 41.11 C ATOM 1238 CD1 TYR A 79 11.815 -23.975 -3.251 1.00 42.32 C ATOM 1239 CD2 TYR A 79 12.832 -25.162 -5.051 1.00 51.43 C ATOM 1240 CE1 TYR A 79 12.988 -24.060 -2.526 1.00 30.11 C ATOM 1241 CE2 TYR A 79 14.009 -25.251 -4.333 1.00 44.05 C ATOM 1242 CZ TYR A 79 14.082 -24.700 -3.071 1.00 30.35 C ATOM 1243 OH TYR A 79 15.252 -24.785 -2.353 1.00 41.42 O ATOM 0 H TYR A 79 8.162 -23.692 -5.937 1.00 73.24 H new ATOM 0 HA TYR A 79 10.399 -22.292 -5.096 1.00 61.50 H new ATOM 0 HB2 TYR A 79 9.599 -24.736 -4.678 1.00 15.25 H new ATOM 0 HB3 TYR A 79 10.471 -25.134 -6.146 1.00 15.25 H new ATOM 0 HD1 TYR A 79 10.960 -23.473 -2.821 1.00 42.32 H new ATOM 0 HD2 TYR A 79 12.779 -25.596 -6.039 1.00 51.43 H new ATOM 0 HE1 TYR A 79 13.048 -23.628 -1.538 1.00 30.11 H new ATOM 0 HE2 TYR A 79 14.868 -25.750 -4.758 1.00 44.05 H new ATOM 0 HH TYR A 79 15.304 -25.660 -1.915 1.00 41.42 H new ATOM 1253 N ASN A 80 10.465 -23.032 -8.264 1.00 71.12 N ATOM 1254 CA ASN A 80 11.187 -22.825 -9.513 1.00 15.35 C ATOM 1255 C ASN A 80 11.247 -21.341 -9.867 1.00 41.10 C ATOM 1256 O ASN A 80 12.322 -20.740 -9.894 1.00 41.04 O ATOM 1257 CB ASN A 80 10.521 -23.603 -10.649 1.00 63.14 C ATOM 1258 CG ASN A 80 11.036 -25.026 -10.754 1.00 4.42 C ATOM 1259 OD1 ASN A 80 11.440 -25.627 -9.757 1.00 1.42 O ATOM 1260 ND2 ASN A 80 11.024 -25.572 -11.964 1.00 2.24 N ATOM 0 H ASN A 80 9.518 -23.393 -8.380 1.00 71.12 H new ATOM 0 HA ASN A 80 12.205 -23.192 -9.379 1.00 15.35 H new ATOM 0 HB2 ASN A 80 9.443 -23.620 -10.491 1.00 63.14 H new ATOM 0 HB3 ASN A 80 10.696 -23.085 -11.592 1.00 63.14 H new ATOM 0 HD21 ASN A 80 11.358 -26.527 -12.096 1.00 2.24 H new ATOM 0 HD22 ASN A 80 10.680 -25.037 -12.762 1.00 2.24 H new ATOM 1267 N THR A 81 10.085 -20.755 -10.138 1.00 64.01 N ATOM 1268 CA THR A 81 10.005 -19.344 -10.490 1.00 33.42 C ATOM 1269 C THR A 81 10.651 -18.472 -9.419 1.00 13.14 C ATOM 1270 O THR A 81 11.530 -17.661 -9.712 1.00 53.33 O ATOM 1271 CB THR A 81 8.544 -18.896 -10.687 1.00 31.31 C ATOM 1272 OG1 THR A 81 7.937 -19.653 -11.741 1.00 4.50 O ATOM 1273 CG2 THR A 81 8.472 -17.412 -11.015 1.00 60.12 C ATOM 0 H THR A 81 9.186 -21.237 -10.120 1.00 64.01 H new ATOM 0 HA THR A 81 10.545 -19.222 -11.429 1.00 33.42 H new ATOM 0 HB THR A 81 8.005 -19.073 -9.756 1.00 31.31 H new ATOM 0 HG1 THR A 81 7.604 -20.503 -11.384 1.00 4.50 H new ATOM 0 HG21 THR A 81 7.431 -17.119 -11.150 1.00 60.12 H new ATOM 0 HG22 THR A 81 8.908 -16.837 -10.198 1.00 60.12 H new ATOM 0 HG23 THR A 81 9.026 -17.215 -11.933 1.00 60.12 H new ATOM 1281 N ILE A 82 10.210 -18.644 -8.178 1.00 3.05 N ATOM 1282 CA ILE A 82 10.748 -17.874 -7.063 1.00 35.44 C ATOM 1283 C ILE A 82 12.270 -17.953 -7.023 1.00 62.25 C ATOM 1284 O ILE A 82 12.949 -16.950 -6.809 1.00 31.12 O ATOM 1285 CB ILE A 82 10.183 -18.364 -5.716 1.00 11.51 C ATOM 1286 CG1 ILE A 82 8.656 -18.264 -5.712 1.00 4.53 C ATOM 1287 CG2 ILE A 82 10.775 -17.558 -4.569 1.00 12.15 C ATOM 1288 CD1 ILE A 82 8.000 -19.105 -4.640 1.00 65.12 C ATOM 0 H ILE A 82 9.482 -19.309 -7.919 1.00 3.05 H new ATOM 0 HA ILE A 82 10.445 -16.839 -7.219 1.00 35.44 H new ATOM 0 HB ILE A 82 10.460 -19.409 -5.581 1.00 11.51 H new ATOM 0 HG12 ILE A 82 8.368 -17.222 -5.572 1.00 4.53 H new ATOM 0 HG13 ILE A 82 8.277 -18.571 -6.687 1.00 4.53 H new ATOM 0 HG21 ILE A 82 10.366 -17.916 -3.624 1.00 12.15 H new ATOM 0 HG22 ILE A 82 11.859 -17.675 -4.563 1.00 12.15 H new ATOM 0 HG23 ILE A 82 10.525 -16.505 -4.697 1.00 12.15 H new ATOM 0 HD11 ILE A 82 6.918 -18.986 -4.695 1.00 65.12 H new ATOM 0 HD12 ILE A 82 8.258 -20.153 -4.791 1.00 65.12 H new ATOM 0 HD13 ILE A 82 8.351 -18.783 -3.659 1.00 65.12 H new ATOM 1300 N ALA A 83 12.800 -19.154 -7.232 1.00 60.55 N ATOM 1301 CA ALA A 83 14.242 -19.365 -7.224 1.00 65.13 C ATOM 1302 C ALA A 83 14.940 -18.427 -8.203 1.00 73.41 C ATOM 1303 O ALA A 83 15.866 -17.706 -7.834 1.00 14.43 O ATOM 1304 CB ALA A 83 14.565 -20.814 -7.556 1.00 52.45 C ATOM 0 H ALA A 83 12.252 -19.996 -7.409 1.00 60.55 H new ATOM 0 HA ALA A 83 14.611 -19.142 -6.223 1.00 65.13 H new ATOM 0 HB1 ALA A 83 15.645 -20.957 -7.547 1.00 52.45 H new ATOM 0 HB2 ALA A 83 14.106 -21.468 -6.815 1.00 52.45 H new ATOM 0 HB3 ALA A 83 14.176 -21.056 -8.545 1.00 52.45 H new ATOM 1310 N VAL A 84 14.488 -18.442 -9.454 1.00 44.21 N ATOM 1311 CA VAL A 84 15.070 -17.593 -10.486 1.00 70.32 C ATOM 1312 C VAL A 84 15.057 -16.128 -10.063 1.00 43.15 C ATOM 1313 O VAL A 84 15.995 -15.381 -10.345 1.00 75.20 O ATOM 1314 CB VAL A 84 14.315 -17.737 -11.821 1.00 30.25 C ATOM 1315 CG1 VAL A 84 14.918 -16.823 -12.876 1.00 14.21 C ATOM 1316 CG2 VAL A 84 14.328 -19.184 -12.287 1.00 50.41 C ATOM 0 H VAL A 84 13.721 -19.033 -9.776 1.00 44.21 H new ATOM 0 HA VAL A 84 16.101 -17.920 -10.622 1.00 70.32 H new ATOM 0 HB VAL A 84 13.278 -17.439 -11.666 1.00 30.25 H new ATOM 0 HG11 VAL A 84 14.372 -16.938 -13.812 1.00 14.21 H new ATOM 0 HG12 VAL A 84 14.851 -15.788 -12.542 1.00 14.21 H new ATOM 0 HG13 VAL A 84 15.964 -17.087 -13.031 1.00 14.21 H new ATOM 0 HG21 VAL A 84 13.790 -19.267 -13.231 1.00 50.41 H new ATOM 0 HG22 VAL A 84 15.358 -19.512 -12.426 1.00 50.41 H new ATOM 0 HG23 VAL A 84 13.845 -19.812 -11.538 1.00 50.41 H new ATOM 1326 N LEU A 85 13.990 -15.723 -9.384 1.00 41.12 N ATOM 1327 CA LEU A 85 13.856 -14.346 -8.920 1.00 70.32 C ATOM 1328 C LEU A 85 14.842 -14.051 -7.796 1.00 65.21 C ATOM 1329 O LEU A 85 15.620 -13.100 -7.872 1.00 12.42 O ATOM 1330 CB LEU A 85 12.426 -14.086 -8.442 1.00 22.23 C ATOM 1331 CG LEU A 85 11.906 -12.660 -8.623 1.00 73.03 C ATOM 1332 CD1 LEU A 85 10.806 -12.622 -9.672 1.00 11.00 C ATOM 1333 CD2 LEU A 85 11.403 -12.103 -7.300 1.00 30.50 C ATOM 0 H LEU A 85 13.205 -16.328 -9.142 1.00 41.12 H new ATOM 0 HA LEU A 85 14.080 -13.683 -9.756 1.00 70.32 H new ATOM 0 HB2 LEU A 85 11.758 -14.765 -8.972 1.00 22.23 H new ATOM 0 HB3 LEU A 85 12.366 -14.342 -7.384 1.00 22.23 H new ATOM 0 HG LEU A 85 12.730 -12.035 -8.967 1.00 73.03 H new ATOM 0 HD11 LEU A 85 10.448 -11.599 -9.787 1.00 11.00 H new ATOM 0 HD12 LEU A 85 11.199 -12.978 -10.624 1.00 11.00 H new ATOM 0 HD13 LEU A 85 9.981 -13.262 -9.358 1.00 11.00 H new ATOM 0 HD21 LEU A 85 11.037 -11.087 -7.449 1.00 30.50 H new ATOM 0 HD22 LEU A 85 10.593 -12.729 -6.926 1.00 30.50 H new ATOM 0 HD23 LEU A 85 12.218 -12.093 -6.576 1.00 30.50 H new ATOM 1345 N TYR A 86 14.807 -14.874 -6.754 1.00 62.22 N ATOM 1346 CA TYR A 86 15.698 -14.702 -5.613 1.00 22.43 C ATOM 1347 C TYR A 86 17.151 -14.601 -6.067 1.00 32.11 C ATOM 1348 O TYR A 86 17.891 -13.718 -5.628 1.00 70.24 O ATOM 1349 CB TYR A 86 15.538 -15.865 -4.633 1.00 40.03 C ATOM 1350 CG TYR A 86 16.564 -15.868 -3.522 1.00 75.31 C ATOM 1351 CD1 TYR A 86 16.335 -15.182 -2.336 1.00 22.40 C ATOM 1352 CD2 TYR A 86 17.762 -16.557 -3.659 1.00 15.54 C ATOM 1353 CE1 TYR A 86 17.269 -15.181 -1.319 1.00 3.41 C ATOM 1354 CE2 TYR A 86 18.703 -16.562 -2.647 1.00 53.21 C ATOM 1355 CZ TYR A 86 18.452 -15.872 -1.479 1.00 51.05 C ATOM 1356 OH TYR A 86 19.385 -15.875 -0.469 1.00 1.33 O ATOM 0 H TYR A 86 14.171 -15.667 -6.676 1.00 62.22 H new ATOM 0 HA TYR A 86 15.427 -13.773 -5.111 1.00 22.43 H new ATOM 0 HB2 TYR A 86 14.541 -15.825 -4.195 1.00 40.03 H new ATOM 0 HB3 TYR A 86 15.607 -16.804 -5.182 1.00 40.03 H new ATOM 0 HD1 TYR A 86 15.410 -14.640 -2.207 1.00 22.40 H new ATOM 0 HD2 TYR A 86 17.962 -17.098 -4.572 1.00 15.54 H new ATOM 0 HE1 TYR A 86 17.074 -14.642 -0.403 1.00 3.41 H new ATOM 0 HE2 TYR A 86 19.630 -17.103 -2.770 1.00 53.21 H new ATOM 0 HH TYR A 86 20.160 -16.409 -0.741 1.00 1.33 H new ATOM 1366 N CYS A 87 17.552 -15.511 -6.947 1.00 15.33 N ATOM 1367 CA CYS A 87 18.917 -15.525 -7.462 1.00 54.25 C ATOM 1368 C CYS A 87 19.307 -14.156 -8.011 1.00 42.30 C ATOM 1369 O CYS A 87 20.434 -13.698 -7.822 1.00 21.43 O ATOM 1370 CB CYS A 87 19.061 -16.586 -8.556 1.00 21.22 C ATOM 1371 SG CYS A 87 19.402 -18.248 -7.931 1.00 72.12 S ATOM 0 H CYS A 87 16.953 -16.248 -7.319 1.00 15.33 H new ATOM 0 HA CYS A 87 19.587 -15.769 -6.637 1.00 54.25 H new ATOM 0 HB2 CYS A 87 18.144 -16.612 -9.145 1.00 21.22 H new ATOM 0 HB3 CYS A 87 19.865 -16.291 -9.230 1.00 21.22 H new ATOM 0 HG CYS A 87 20.103 -18.905 -8.806 1.00 72.12 H new ATOM 1377 N VAL A 88 18.368 -13.508 -8.693 1.00 44.13 N ATOM 1378 CA VAL A 88 18.613 -12.193 -9.270 1.00 54.11 C ATOM 1379 C VAL A 88 18.970 -11.177 -8.191 1.00 64.21 C ATOM 1380 O VAL A 88 19.891 -10.377 -8.356 1.00 74.32 O ATOM 1381 CB VAL A 88 17.386 -11.685 -10.051 1.00 73.15 C ATOM 1382 CG1 VAL A 88 17.661 -10.311 -10.644 1.00 21.41 C ATOM 1383 CG2 VAL A 88 16.999 -12.676 -11.138 1.00 13.30 C ATOM 0 H VAL A 88 17.430 -13.873 -8.859 1.00 44.13 H new ATOM 0 HA VAL A 88 19.453 -12.301 -9.956 1.00 54.11 H new ATOM 0 HB VAL A 88 16.549 -11.594 -9.359 1.00 73.15 H new ATOM 0 HG11 VAL A 88 16.783 -9.969 -11.192 1.00 21.41 H new ATOM 0 HG12 VAL A 88 17.886 -9.607 -9.843 1.00 21.41 H new ATOM 0 HG13 VAL A 88 18.512 -10.371 -11.323 1.00 21.41 H new ATOM 0 HG21 VAL A 88 16.131 -12.301 -11.680 1.00 13.30 H new ATOM 0 HG22 VAL A 88 17.832 -12.801 -11.830 1.00 13.30 H new ATOM 0 HG23 VAL A 88 16.757 -13.637 -10.685 1.00 13.30 H new ATOM 1393 N HIS A 89 18.235 -11.215 -7.084 1.00 31.42 N ATOM 1394 CA HIS A 89 18.475 -10.298 -5.974 1.00 73.44 C ATOM 1395 C HIS A 89 19.767 -10.655 -5.245 1.00 60.01 C ATOM 1396 O HIS A 89 20.256 -9.797 -4.512 1.00 4.55 O ATOM 1397 CB HIS A 89 17.300 -10.330 -4.996 1.00 72.52 C ATOM 1398 CG HIS A 89 16.007 -9.868 -5.597 1.00 52.43 C ATOM 1399 ND1 HIS A 89 15.943 -9.015 -6.678 1.00 52.34 N ATOM 1400 CD2 HIS A 89 14.726 -10.147 -5.263 1.00 71.03 C ATOM 1401 CE1 HIS A 89 14.677 -8.788 -6.982 1.00 11.10 C ATOM 1402 NE2 HIS A 89 13.918 -9.464 -6.138 1.00 53.24 N ATOM 0 H HIS A 89 17.469 -11.870 -6.931 1.00 31.42 H new ATOM 0 HA HIS A 89 18.573 -9.292 -6.381 1.00 73.44 H new ATOM 0 HB2 HIS A 89 17.175 -11.347 -4.624 1.00 72.52 H new ATOM 0 HB3 HIS A 89 17.536 -9.703 -4.136 1.00 72.52 H new ATOM 0 HD2 HIS A 89 14.400 -10.788 -4.457 1.00 71.03 H new ATOM 0 HE1 HIS A 89 14.323 -8.157 -7.784 1.00 11.10 H new ATOM 0 HE2 HIS A 89 12.898 -9.476 -6.137 1.00 53.24 H new ATOM 1411 N GLN A 90 20.312 -11.854 -5.422 1.00 43.13 N ATOM 1412 CA GLN A 90 21.545 -12.239 -4.746 1.00 43.32 C ATOM 1413 C GLN A 90 22.739 -12.133 -5.689 1.00 75.10 C ATOM 1414 O GLN A 90 23.742 -12.825 -5.517 1.00 4.34 O ATOM 1415 CB GLN A 90 21.433 -13.666 -4.207 1.00 62.40 C ATOM 1416 CG GLN A 90 20.650 -13.765 -2.907 1.00 71.33 C ATOM 1417 CD GLN A 90 21.202 -12.861 -1.823 1.00 63.10 C ATOM 1418 OE1 GLN A 90 20.751 -11.727 -1.655 1.00 40.43 O ATOM 1419 NE2 GLN A 90 22.183 -13.358 -1.080 1.00 4.45 N ATOM 0 H GLN A 90 19.920 -12.575 -6.027 1.00 43.13 H new ATOM 0 HA GLN A 90 21.700 -11.554 -3.912 1.00 43.32 H new ATOM 0 HB2 GLN A 90 20.954 -14.293 -4.959 1.00 62.40 H new ATOM 0 HB3 GLN A 90 22.435 -14.066 -4.050 1.00 62.40 H new ATOM 0 HG2 GLN A 90 19.608 -13.507 -3.094 1.00 71.33 H new ATOM 0 HG3 GLN A 90 20.664 -14.797 -2.556 1.00 71.33 H new ATOM 0 HE21 GLN A 90 22.526 -14.303 -1.254 1.00 4.45 H new ATOM 0 HE22 GLN A 90 22.594 -12.795 -0.335 1.00 4.45 H new ATOM 1428 N ARG A 91 22.623 -11.263 -6.687 1.00 34.51 N ATOM 1429 CA ARG A 91 23.692 -11.067 -7.659 1.00 61.14 C ATOM 1430 C ARG A 91 24.063 -12.386 -8.332 1.00 10.24 C ATOM 1431 O ARG A 91 25.191 -12.563 -8.791 1.00 2.00 O ATOM 1432 CB ARG A 91 24.922 -10.464 -6.980 1.00 41.22 C ATOM 1433 CG ARG A 91 25.426 -9.196 -7.649 1.00 1.14 C ATOM 1434 CD ARG A 91 25.552 -8.054 -6.653 1.00 31.34 C ATOM 1435 NE ARG A 91 24.283 -7.356 -6.458 1.00 62.43 N ATOM 1436 CZ ARG A 91 24.081 -6.452 -5.506 1.00 74.32 C ATOM 1437 NH1 ARG A 91 25.058 -6.136 -4.668 1.00 4.30 N1+ ATOM 1438 NH2 ARG A 91 22.898 -5.860 -5.392 1.00 40.55 N ATOM 0 H ARG A 91 21.799 -10.682 -6.844 1.00 34.51 H new ATOM 0 HA ARG A 91 23.333 -10.378 -8.423 1.00 61.14 H new ATOM 0 HB2 ARG A 91 24.682 -10.245 -5.940 1.00 41.22 H new ATOM 0 HB3 ARG A 91 25.722 -11.204 -6.973 1.00 41.22 H new ATOM 0 HG2 ARG A 91 26.395 -9.387 -8.110 1.00 1.14 H new ATOM 0 HG3 ARG A 91 24.743 -8.909 -8.449 1.00 1.14 H new ATOM 0 HD2 ARG A 91 25.902 -8.443 -5.697 1.00 31.34 H new ATOM 0 HD3 ARG A 91 26.304 -7.348 -7.004 1.00 31.34 H new ATOM 0 HE ARG A 91 23.510 -7.575 -7.087 1.00 62.43 H new ATOM 0 HH11 ARG A 91 25.969 -6.587 -4.753 1.00 4.30 H new ATOM 0 HH12 ARG A 91 24.899 -5.441 -3.938 1.00 4.30 H new ATOM 0 HH21 ARG A 91 22.144 -6.099 -6.036 1.00 40.55 H new ATOM 0 HH22 ARG A 91 22.743 -5.166 -4.661 1.00 40.55 H new ATOM 1452 N ILE A 92 23.107 -13.307 -8.384 1.00 51.11 N ATOM 1453 CA ILE A 92 23.334 -14.608 -9.001 1.00 62.41 C ATOM 1454 C ILE A 92 22.835 -14.628 -10.442 1.00 70.13 C ATOM 1455 O ILE A 92 21.697 -14.251 -10.721 1.00 34.43 O ATOM 1456 CB ILE A 92 22.637 -15.733 -8.213 1.00 44.24 C ATOM 1457 CG1 ILE A 92 22.961 -15.617 -6.722 1.00 64.11 C ATOM 1458 CG2 ILE A 92 23.058 -17.094 -8.748 1.00 41.13 C ATOM 1459 CD1 ILE A 92 22.296 -16.679 -5.875 1.00 71.44 C ATOM 0 H ILE A 92 22.168 -13.177 -8.007 1.00 51.11 H new ATOM 0 HA ILE A 92 24.410 -14.779 -8.990 1.00 62.41 H new ATOM 0 HB ILE A 92 21.559 -15.632 -8.340 1.00 44.24 H new ATOM 0 HG12 ILE A 92 24.041 -15.680 -6.587 1.00 64.11 H new ATOM 0 HG13 ILE A 92 22.652 -14.634 -6.367 1.00 64.11 H new ATOM 0 HG21 ILE A 92 22.557 -17.879 -8.181 1.00 41.13 H new ATOM 0 HG22 ILE A 92 22.781 -17.173 -9.799 1.00 41.13 H new ATOM 0 HG23 ILE A 92 24.138 -17.206 -8.647 1.00 41.13 H new ATOM 0 HD11 ILE A 92 22.570 -16.535 -4.830 1.00 71.44 H new ATOM 0 HD12 ILE A 92 21.214 -16.603 -5.980 1.00 71.44 H new ATOM 0 HD13 ILE A 92 22.624 -17.665 -6.204 1.00 71.44 H new ATOM 1471 N ASP A 93 23.693 -15.073 -11.352 1.00 75.03 N ATOM 1472 CA ASP A 93 23.339 -15.146 -12.766 1.00 2.12 C ATOM 1473 C ASP A 93 23.232 -16.597 -13.225 1.00 11.01 C ATOM 1474 O ASP A 93 24.172 -17.377 -13.077 1.00 62.02 O ATOM 1475 CB ASP A 93 24.377 -14.406 -13.612 1.00 22.34 C ATOM 1476 CG ASP A 93 25.790 -14.886 -13.346 1.00 11.14 C ATOM 1477 OD1 ASP A 93 26.399 -14.421 -12.359 1.00 74.34 O1- ATOM 1478 OD2 ASP A 93 26.288 -15.726 -14.125 1.00 20.42 O ATOM 0 H ASP A 93 24.639 -15.389 -11.137 1.00 75.03 H new ATOM 0 HA ASP A 93 22.368 -14.669 -12.897 1.00 2.12 H new ATOM 0 HB2 ASP A 93 24.143 -14.541 -14.668 1.00 22.34 H new ATOM 0 HB3 ASP A 93 24.315 -13.338 -13.406 1.00 22.34 H new ATOM 1483 N VAL A 94 22.078 -16.952 -13.782 1.00 53.24 N ATOM 1484 CA VAL A 94 21.847 -18.309 -14.263 1.00 13.54 C ATOM 1485 C VAL A 94 21.142 -18.300 -15.615 1.00 32.24 C ATOM 1486 O VAL A 94 20.519 -17.309 -15.996 1.00 43.23 O ATOM 1487 CB VAL A 94 21.005 -19.124 -13.262 1.00 15.54 C ATOM 1488 CG1 VAL A 94 21.740 -19.266 -11.939 1.00 5.44 C ATOM 1489 CG2 VAL A 94 19.645 -18.474 -13.059 1.00 11.43 C ATOM 0 H VAL A 94 21.289 -16.319 -13.911 1.00 53.24 H new ATOM 0 HA VAL A 94 22.825 -18.778 -14.370 1.00 13.54 H new ATOM 0 HB VAL A 94 20.848 -20.122 -13.672 1.00 15.54 H new ATOM 0 HG11 VAL A 94 21.131 -19.844 -11.244 1.00 5.44 H new ATOM 0 HG12 VAL A 94 22.688 -19.778 -12.103 1.00 5.44 H new ATOM 0 HG13 VAL A 94 21.929 -18.278 -11.520 1.00 5.44 H new ATOM 0 HG21 VAL A 94 19.063 -19.062 -12.349 1.00 11.43 H new ATOM 0 HG22 VAL A 94 19.779 -17.464 -12.670 1.00 11.43 H new ATOM 0 HG23 VAL A 94 19.117 -18.429 -14.012 1.00 11.43 H new ATOM 1499 N LYS A 95 21.244 -19.411 -16.337 1.00 23.25 N ATOM 1500 CA LYS A 95 20.615 -19.534 -17.646 1.00 62.42 C ATOM 1501 C LYS A 95 19.194 -20.074 -17.518 1.00 73.41 C ATOM 1502 O LYS A 95 18.280 -19.612 -18.203 1.00 63.22 O ATOM 1503 CB LYS A 95 21.441 -20.454 -18.548 1.00 20.34 C ATOM 1504 CG LYS A 95 22.142 -19.724 -19.681 1.00 62.32 C ATOM 1505 CD LYS A 95 23.422 -20.432 -20.091 1.00 40.05 C ATOM 1506 CE LYS A 95 24.573 -19.452 -20.257 1.00 72.22 C ATOM 1507 NZ LYS A 95 24.748 -19.037 -21.676 1.00 34.02 N1+ ATOM 0 H LYS A 95 21.757 -20.240 -16.037 1.00 23.25 H new ATOM 0 HA LYS A 95 20.570 -18.541 -18.094 1.00 62.42 H new ATOM 0 HB2 LYS A 95 22.187 -20.969 -17.942 1.00 20.34 H new ATOM 0 HB3 LYS A 95 20.788 -21.219 -18.968 1.00 20.34 H new ATOM 0 HG2 LYS A 95 21.473 -19.653 -20.539 1.00 62.32 H new ATOM 0 HG3 LYS A 95 22.372 -18.705 -19.371 1.00 62.32 H new ATOM 0 HD2 LYS A 95 23.683 -21.178 -19.340 1.00 40.05 H new ATOM 0 HD3 LYS A 95 23.260 -20.966 -21.027 1.00 40.05 H new ATOM 0 HE2 LYS A 95 24.392 -18.571 -19.641 1.00 72.22 H new ATOM 0 HE3 LYS A 95 25.494 -19.909 -19.896 1.00 72.22 H new ATOM 0 HZ1 LYS A 95 25.542 -18.369 -21.747 1.00 34.02 H new ATOM 0 HZ2 LYS A 95 24.946 -19.874 -22.261 1.00 34.02 H new ATOM 0 HZ3 LYS A 95 23.878 -18.577 -22.013 1.00 34.02 H new ATOM 1521 N ASP A 96 19.014 -21.051 -16.637 1.00 21.22 N ATOM 1522 CA ASP A 96 17.702 -21.651 -16.417 1.00 43.42 C ATOM 1523 C ASP A 96 17.411 -21.789 -14.926 1.00 71.43 C ATOM 1524 O ASP A 96 18.201 -21.360 -14.085 1.00 34.13 O ATOM 1525 CB ASP A 96 17.625 -23.021 -17.094 1.00 12.53 C ATOM 1526 CG ASP A 96 18.783 -23.921 -16.710 1.00 52.45 C ATOM 1527 OD1 ASP A 96 18.984 -24.148 -15.499 1.00 34.31 O ATOM 1528 OD2 ASP A 96 19.488 -24.402 -17.623 1.00 24.15 O1- ATOM 0 H ASP A 96 19.759 -21.445 -16.063 1.00 21.22 H new ATOM 0 HA ASP A 96 16.951 -20.995 -16.856 1.00 43.42 H new ATOM 0 HB2 ASP A 96 16.687 -23.505 -16.823 1.00 12.53 H new ATOM 0 HB3 ASP A 96 17.614 -22.889 -18.176 1.00 12.53 H new ATOM 1533 N THR A 97 16.270 -22.391 -14.605 1.00 43.24 N ATOM 1534 CA THR A 97 15.873 -22.584 -13.216 1.00 63.14 C ATOM 1535 C THR A 97 16.590 -23.779 -12.599 1.00 50.33 C ATOM 1536 O THR A 97 16.841 -23.813 -11.394 1.00 42.24 O ATOM 1537 CB THR A 97 14.352 -22.795 -13.091 1.00 33.24 C ATOM 1538 OG1 THR A 97 13.655 -21.686 -13.673 1.00 50.44 O ATOM 1539 CG2 THR A 97 13.944 -22.946 -11.633 1.00 43.21 C ATOM 0 H THR A 97 15.605 -22.753 -15.288 1.00 43.24 H new ATOM 0 HA THR A 97 16.154 -21.678 -12.679 1.00 63.14 H new ATOM 0 HB THR A 97 14.089 -23.710 -13.622 1.00 33.24 H new ATOM 0 HG1 THR A 97 13.878 -21.623 -14.625 1.00 50.44 H new ATOM 0 HG21 THR A 97 12.866 -23.094 -11.570 1.00 43.21 H new ATOM 0 HG22 THR A 97 14.454 -23.806 -11.200 1.00 43.21 H new ATOM 0 HG23 THR A 97 14.219 -22.046 -11.083 1.00 43.21 H new ATOM 1547 N LYS A 98 16.921 -24.760 -13.433 1.00 43.42 N ATOM 1548 CA LYS A 98 17.613 -25.958 -12.971 1.00 10.44 C ATOM 1549 C LYS A 98 18.935 -25.597 -12.299 1.00 35.32 C ATOM 1550 O LYS A 98 19.360 -26.259 -11.353 1.00 12.04 O ATOM 1551 CB LYS A 98 17.868 -26.908 -14.143 1.00 44.15 C ATOM 1552 CG LYS A 98 17.689 -28.374 -13.786 1.00 71.21 C ATOM 1553 CD LYS A 98 18.848 -29.217 -14.292 1.00 25.14 C ATOM 1554 CE LYS A 98 18.397 -30.622 -14.658 1.00 44.41 C ATOM 1555 NZ LYS A 98 18.603 -31.581 -13.537 1.00 74.52 N1+ ATOM 0 H LYS A 98 16.721 -24.749 -14.433 1.00 43.42 H new ATOM 0 HA LYS A 98 16.977 -26.456 -12.239 1.00 10.44 H new ATOM 0 HB2 LYS A 98 17.190 -26.656 -14.959 1.00 44.15 H new ATOM 0 HB3 LYS A 98 18.882 -26.753 -14.512 1.00 44.15 H new ATOM 0 HG2 LYS A 98 17.607 -28.479 -12.704 1.00 71.21 H new ATOM 0 HG3 LYS A 98 16.756 -28.742 -14.213 1.00 71.21 H new ATOM 0 HD2 LYS A 98 19.294 -28.738 -15.164 1.00 25.14 H new ATOM 0 HD3 LYS A 98 19.622 -29.270 -13.526 1.00 25.14 H new ATOM 0 HE2 LYS A 98 17.342 -30.605 -14.932 1.00 44.41 H new ATOM 0 HE3 LYS A 98 18.948 -30.964 -15.534 1.00 44.41 H new ATOM 0 HZ1 LYS A 98 18.283 -32.527 -13.826 1.00 74.52 H new ATOM 0 HZ2 LYS A 98 19.613 -31.617 -13.292 1.00 74.52 H new ATOM 0 HZ3 LYS A 98 18.057 -31.269 -12.709 1.00 74.52 H new ATOM 1569 N GLU A 99 19.577 -24.544 -12.795 1.00 44.30 N ATOM 1570 CA GLU A 99 20.851 -24.097 -12.241 1.00 71.41 C ATOM 1571 C GLU A 99 20.633 -23.268 -10.978 1.00 71.13 C ATOM 1572 O GLU A 99 21.308 -23.467 -9.969 1.00 22.04 O ATOM 1573 CB GLU A 99 21.622 -23.276 -13.276 1.00 33.41 C ATOM 1574 CG GLU A 99 22.785 -24.026 -13.903 1.00 2.55 C ATOM 1575 CD GLU A 99 23.418 -23.265 -15.051 1.00 73.00 C ATOM 1576 OE1 GLU A 99 24.234 -22.357 -14.785 1.00 75.43 O1- ATOM 1577 OE2 GLU A 99 23.098 -23.578 -16.218 1.00 24.24 O ATOM 0 H GLU A 99 19.237 -23.985 -13.578 1.00 44.30 H new ATOM 0 HA GLU A 99 21.435 -24.980 -11.980 1.00 71.41 H new ATOM 0 HB2 GLU A 99 20.936 -22.962 -14.063 1.00 33.41 H new ATOM 0 HB3 GLU A 99 21.998 -22.370 -12.802 1.00 33.41 H new ATOM 0 HG2 GLU A 99 23.540 -24.221 -13.141 1.00 2.55 H new ATOM 0 HG3 GLU A 99 22.437 -24.994 -14.262 1.00 2.55 H new ATOM 1584 N ALA A 100 19.685 -22.339 -11.044 1.00 22.21 N ATOM 1585 CA ALA A 100 19.377 -21.481 -9.906 1.00 30.31 C ATOM 1586 C ALA A 100 19.090 -22.307 -8.657 1.00 32.21 C ATOM 1587 O ALA A 100 19.384 -21.883 -7.538 1.00 42.33 O ATOM 1588 CB ALA A 100 18.193 -20.581 -10.229 1.00 15.00 C ATOM 0 H ALA A 100 19.117 -22.161 -11.873 1.00 22.21 H new ATOM 0 HA ALA A 100 20.249 -20.859 -9.706 1.00 30.31 H new ATOM 0 HB1 ALA A 100 17.974 -19.946 -9.371 1.00 15.00 H new ATOM 0 HB2 ALA A 100 18.434 -19.957 -11.090 1.00 15.00 H new ATOM 0 HB3 ALA A 100 17.322 -21.194 -10.458 1.00 15.00 H new ATOM 1594 N LEU A 101 18.513 -23.487 -8.854 1.00 71.22 N ATOM 1595 CA LEU A 101 18.184 -24.373 -7.743 1.00 45.41 C ATOM 1596 C LEU A 101 19.448 -24.976 -7.136 1.00 61.43 C ATOM 1597 O LEU A 101 19.595 -25.033 -5.914 1.00 55.31 O ATOM 1598 CB LEU A 101 17.249 -25.489 -8.213 1.00 40.11 C ATOM 1599 CG LEU A 101 15.823 -25.065 -8.566 1.00 11.03 C ATOM 1600 CD1 LEU A 101 15.047 -26.235 -9.150 1.00 14.13 C ATOM 1601 CD2 LEU A 101 15.113 -24.510 -7.340 1.00 73.32 C ATOM 0 H LEU A 101 18.263 -23.853 -9.773 1.00 71.22 H new ATOM 0 HA LEU A 101 17.679 -23.783 -6.978 1.00 45.41 H new ATOM 0 HB2 LEU A 101 17.693 -25.963 -9.088 1.00 40.11 H new ATOM 0 HB3 LEU A 101 17.198 -26.247 -7.431 1.00 40.11 H new ATOM 0 HG LEU A 101 15.874 -24.278 -9.319 1.00 11.03 H new ATOM 0 HD11 LEU A 101 14.035 -25.914 -9.395 1.00 14.13 H new ATOM 0 HD12 LEU A 101 15.545 -26.587 -10.054 1.00 14.13 H new ATOM 0 HD13 LEU A 101 15.005 -27.044 -8.421 1.00 14.13 H new ATOM 0 HD21 LEU A 101 14.099 -24.213 -7.610 1.00 73.32 H new ATOM 0 HD22 LEU A 101 15.073 -25.276 -6.565 1.00 73.32 H new ATOM 0 HD23 LEU A 101 15.657 -23.643 -6.966 1.00 73.32 H new ATOM 1613 N ASP A 102 20.356 -25.422 -7.996 1.00 64.31 N ATOM 1614 CA ASP A 102 21.609 -26.018 -7.544 1.00 35.04 C ATOM 1615 C ASP A 102 22.428 -25.015 -6.739 1.00 21.14 C ATOM 1616 O ASP A 102 23.135 -25.384 -5.801 1.00 62.11 O ATOM 1617 CB ASP A 102 22.422 -26.515 -8.741 1.00 22.52 C ATOM 1618 CG ASP A 102 22.191 -27.987 -9.026 1.00 13.44 C ATOM 1619 OD1 ASP A 102 21.139 -28.320 -9.610 1.00 43.52 O ATOM 1620 OD2 ASP A 102 23.064 -28.804 -8.665 1.00 73.21 O1- ATOM 0 H ASP A 102 20.249 -25.383 -9.010 1.00 64.31 H new ATOM 0 HA ASP A 102 21.369 -26.864 -6.900 1.00 35.04 H new ATOM 0 HB2 ASP A 102 22.159 -25.931 -9.623 1.00 22.52 H new ATOM 0 HB3 ASP A 102 23.482 -26.346 -8.552 1.00 22.52 H new ATOM 1625 N LYS A 103 22.329 -23.743 -7.112 1.00 22.43 N ATOM 1626 CA LYS A 103 23.060 -22.685 -6.424 1.00 21.34 C ATOM 1627 C LYS A 103 22.491 -22.448 -5.029 1.00 62.43 C ATOM 1628 O LYS A 103 23.215 -22.506 -4.035 1.00 24.31 O ATOM 1629 CB LYS A 103 23.004 -21.389 -7.236 1.00 2.54 C ATOM 1630 CG LYS A 103 24.281 -20.568 -7.158 1.00 73.34 C ATOM 1631 CD LYS A 103 25.389 -21.180 -7.997 1.00 75.23 C ATOM 1632 CE LYS A 103 26.735 -20.541 -7.694 1.00 44.42 C ATOM 1633 NZ LYS A 103 26.846 -19.175 -8.277 1.00 61.05 N1+ ATOM 0 H LYS A 103 21.750 -23.420 -7.887 1.00 22.43 H new ATOM 0 HA LYS A 103 24.099 -23.001 -6.324 1.00 21.34 H new ATOM 0 HB2 LYS A 103 22.801 -21.632 -8.279 1.00 2.54 H new ATOM 0 HB3 LYS A 103 22.170 -20.783 -6.881 1.00 2.54 H new ATOM 0 HG2 LYS A 103 24.083 -19.552 -7.500 1.00 73.34 H new ATOM 0 HG3 LYS A 103 24.606 -20.497 -6.120 1.00 73.34 H new ATOM 0 HD2 LYS A 103 25.442 -22.252 -7.805 1.00 75.23 H new ATOM 0 HD3 LYS A 103 25.156 -21.057 -9.055 1.00 75.23 H new ATOM 0 HE2 LYS A 103 26.876 -20.487 -6.615 1.00 44.42 H new ATOM 0 HE3 LYS A 103 27.533 -21.170 -8.089 1.00 44.42 H new ATOM 0 HZ1 LYS A 103 27.778 -18.774 -8.048 1.00 61.05 H new ATOM 0 HZ2 LYS A 103 26.737 -19.228 -9.310 1.00 61.05 H new ATOM 0 HZ3 LYS A 103 26.101 -18.567 -7.881 1.00 61.05 H new ATOM 1647 N ILE A 104 21.190 -22.182 -4.962 1.00 40.52 N ATOM 1648 CA ILE A 104 20.525 -21.939 -3.689 1.00 60.43 C ATOM 1649 C ILE A 104 20.628 -23.154 -2.774 1.00 45.30 C ATOM 1650 O ILE A 104 20.733 -23.019 -1.556 1.00 64.41 O ATOM 1651 CB ILE A 104 19.039 -21.586 -3.887 1.00 55.03 C ATOM 1652 CG1 ILE A 104 18.901 -20.348 -4.776 1.00 70.22 C ATOM 1653 CG2 ILE A 104 18.364 -21.358 -2.544 1.00 3.10 C ATOM 1654 CD1 ILE A 104 17.502 -20.141 -5.312 1.00 65.45 C ATOM 0 H ILE A 104 20.576 -22.130 -5.775 1.00 40.52 H new ATOM 0 HA ILE A 104 21.033 -21.093 -3.226 1.00 60.43 H new ATOM 0 HB ILE A 104 18.545 -22.423 -4.381 1.00 55.03 H new ATOM 0 HG12 ILE A 104 19.197 -19.467 -4.206 1.00 70.22 H new ATOM 0 HG13 ILE A 104 19.593 -20.433 -5.614 1.00 70.22 H new ATOM 0 HG21 ILE A 104 17.314 -21.110 -2.702 1.00 3.10 H new ATOM 0 HG22 ILE A 104 18.436 -22.264 -1.942 1.00 3.10 H new ATOM 0 HG23 ILE A 104 18.857 -20.537 -2.024 1.00 3.10 H new ATOM 0 HD11 ILE A 104 17.479 -19.246 -5.933 1.00 65.45 H new ATOM 0 HD12 ILE A 104 17.210 -21.005 -5.909 1.00 65.45 H new ATOM 0 HD13 ILE A 104 16.807 -20.023 -4.480 1.00 65.45 H new ATOM 1666 N GLU A 105 20.602 -24.343 -3.371 1.00 12.23 N ATOM 1667 CA GLU A 105 20.694 -25.582 -2.608 1.00 53.13 C ATOM 1668 C GLU A 105 22.075 -25.731 -1.976 1.00 14.42 C ATOM 1669 O GLU A 105 22.215 -26.296 -0.892 1.00 74.45 O ATOM 1670 CB GLU A 105 20.402 -26.784 -3.510 1.00 14.22 C ATOM 1671 CG GLU A 105 20.422 -28.113 -2.776 1.00 61.05 C ATOM 1672 CD GLU A 105 21.025 -29.230 -3.607 1.00 21.53 C ATOM 1673 OE1 GLU A 105 20.967 -29.141 -4.851 1.00 62.33 O1- ATOM 1674 OE2 GLU A 105 21.555 -30.191 -3.012 1.00 41.24 O ATOM 0 H GLU A 105 20.518 -24.473 -4.379 1.00 12.23 H new ATOM 0 HA GLU A 105 19.951 -25.544 -1.811 1.00 53.13 H new ATOM 0 HB2 GLU A 105 19.425 -26.650 -3.975 1.00 14.22 H new ATOM 0 HB3 GLU A 105 21.137 -26.811 -4.314 1.00 14.22 H new ATOM 0 HG2 GLU A 105 20.990 -28.005 -1.852 1.00 61.05 H new ATOM 0 HG3 GLU A 105 19.404 -28.384 -2.494 1.00 61.05 H new