USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 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 163:sc= 1.2 USER MOD Set 1.2: A 97 THR OG1 : rot 129:sc= 0.878 USER MOD Single : A 9 SER OG : rot 180:sc= -0.433 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= -0.0168 (180deg=-0.146) 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= -2.34 K(o=-2.3,f=-5.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0355) USER MOD Single : A 33 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-5.5!) USER MOD Single : A 38 SER OG : rot 180:sc=-0.000792 USER MOD Single : A 47 ASN : amide:sc= -1.53 K(o=-1.5,f=-11!) USER MOD Single : A 53 THR OG1 : rot -16:sc= 1 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.44 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 88:sc= 1.34 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 80 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.93) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.466 USER MOD Single : A 89 HIS : no HE2:sc= -0.922 K(o=-0.19,f=-5.2!) USER MOD Single : A 90 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 8.170 -5.829 -8.889 1.00 71.34 N ATOM 64 CA VAL A 7 9.096 -6.724 -8.206 1.00 35.45 C ATOM 65 C VAL A 7 10.512 -6.572 -8.755 1.00 3.42 C ATOM 66 O VAL A 7 11.450 -6.287 -8.010 1.00 44.20 O ATOM 67 CB VAL A 7 8.660 -8.195 -8.344 1.00 33.20 C ATOM 68 CG1 VAL A 7 9.525 -9.093 -7.472 1.00 11.04 C ATOM 69 CG2 VAL A 7 7.189 -8.349 -7.988 1.00 14.31 C ATOM 0 HA VAL A 7 9.085 -6.447 -7.152 1.00 35.45 H new ATOM 0 HB VAL A 7 8.794 -8.500 -9.382 1.00 33.20 H new ATOM 0 HG11 VAL A 7 9.202 -10.128 -7.583 1.00 11.04 H new ATOM 0 HG12 VAL A 7 10.567 -9.003 -7.779 1.00 11.04 H new ATOM 0 HG13 VAL A 7 9.426 -8.792 -6.429 1.00 11.04 H new ATOM 0 HG21 VAL A 7 6.897 -9.394 -8.091 1.00 14.31 H new ATOM 0 HG22 VAL A 7 7.028 -8.027 -6.959 1.00 14.31 H new ATOM 0 HG23 VAL A 7 6.586 -7.736 -8.659 1.00 14.31 H new ATOM 79 N LEU A 8 10.658 -6.763 -10.061 1.00 40.43 N ATOM 80 CA LEU A 8 11.958 -6.648 -10.710 1.00 35.51 C ATOM 81 C LEU A 8 12.115 -5.284 -11.374 1.00 33.34 C ATOM 82 O LEU A 8 11.215 -4.813 -12.070 1.00 13.10 O ATOM 83 CB LEU A 8 12.133 -7.757 -11.749 1.00 10.22 C ATOM 84 CG LEU A 8 12.180 -9.185 -11.205 1.00 12.31 C ATOM 85 CD1 LEU A 8 12.409 -10.179 -12.332 1.00 33.31 C ATOM 86 CD2 LEU A 8 13.267 -9.317 -10.147 1.00 65.13 C ATOM 0 H LEU A 8 9.891 -6.998 -10.691 1.00 40.43 H new ATOM 0 HA LEU A 8 12.728 -6.751 -9.946 1.00 35.51 H new ATOM 0 HB2 LEU A 8 11.314 -7.689 -12.465 1.00 10.22 H new ATOM 0 HB3 LEU A 8 13.054 -7.569 -12.300 1.00 10.22 H new ATOM 0 HG LEU A 8 11.219 -9.408 -10.741 1.00 12.31 H new ATOM 0 HD11 LEU A 8 12.439 -11.190 -11.925 1.00 33.31 H new ATOM 0 HD12 LEU A 8 11.597 -10.103 -13.055 1.00 33.31 H new ATOM 0 HD13 LEU A 8 13.355 -9.958 -12.825 1.00 33.31 H new ATOM 0 HD21 LEU A 8 13.286 -10.340 -9.771 1.00 65.13 H new ATOM 0 HD22 LEU A 8 14.234 -9.074 -10.587 1.00 65.13 H new ATOM 0 HD23 LEU A 8 13.060 -8.632 -9.325 1.00 65.13 H new ATOM 98 N SER A 9 13.266 -4.654 -11.157 1.00 22.34 N ATOM 99 CA SER A 9 13.541 -3.343 -11.734 1.00 51.24 C ATOM 100 C SER A 9 13.851 -3.459 -13.223 1.00 31.44 C ATOM 101 O SER A 9 13.740 -4.534 -13.810 1.00 43.02 O ATOM 102 CB SER A 9 14.711 -2.678 -11.007 1.00 74.10 C ATOM 103 OG SER A 9 15.947 -3.027 -11.606 1.00 14.01 O ATOM 0 H SER A 9 14.023 -5.030 -10.586 1.00 22.34 H new ATOM 0 HA SER A 9 12.651 -2.726 -11.614 1.00 51.24 H new ATOM 0 HB2 SER A 9 14.587 -1.595 -11.026 1.00 74.10 H new ATOM 0 HB3 SER A 9 14.712 -2.981 -9.960 1.00 74.10 H new ATOM 0 HG SER A 9 16.679 -2.588 -11.125 1.00 14.01 H new ATOM 109 N GLY A 10 14.242 -2.340 -13.828 1.00 54.52 N ATOM 110 CA GLY A 10 14.563 -2.337 -15.243 1.00 52.03 C ATOM 111 C GLY A 10 15.700 -3.281 -15.583 1.00 24.03 C ATOM 112 O GLY A 10 15.586 -4.097 -16.496 1.00 14.04 O ATOM 0 H GLY A 10 14.342 -1.437 -13.363 1.00 54.52 H new ATOM 0 HA2 GLY A 10 13.678 -2.619 -15.814 1.00 52.03 H new ATOM 0 HA3 GLY A 10 14.831 -1.326 -15.549 1.00 52.03 H new ATOM 116 N GLY A 11 16.801 -3.167 -14.847 1.00 23.41 N ATOM 117 CA GLY A 11 17.948 -4.020 -15.091 1.00 54.20 C ATOM 118 C GLY A 11 17.650 -5.483 -14.825 1.00 61.44 C ATOM 119 O GLY A 11 18.114 -6.359 -15.554 1.00 61.04 O ATOM 0 H GLY A 11 16.919 -2.498 -14.086 1.00 23.41 H new ATOM 0 HA2 GLY A 11 18.272 -3.901 -16.125 1.00 54.20 H new ATOM 0 HA3 GLY A 11 18.776 -3.700 -14.458 1.00 54.20 H new ATOM 123 N GLU A 12 16.875 -5.745 -13.778 1.00 54.43 N ATOM 124 CA GLU A 12 16.518 -7.113 -13.416 1.00 34.52 C ATOM 125 C GLU A 12 15.547 -7.708 -14.432 1.00 72.51 C ATOM 126 O GLU A 12 15.613 -8.897 -14.749 1.00 1.34 O ATOM 127 CB GLU A 12 15.897 -7.149 -12.019 1.00 1.51 C ATOM 128 CG GLU A 12 16.654 -6.320 -10.995 1.00 4.22 C ATOM 129 CD GLU A 12 16.140 -6.524 -9.583 1.00 42.25 C ATOM 130 OE1 GLU A 12 15.139 -5.871 -9.217 1.00 0.43 O ATOM 131 OE2 GLU A 12 16.735 -7.336 -8.845 1.00 3.10 O1- ATOM 0 H GLU A 12 16.482 -5.030 -13.166 1.00 54.43 H new ATOM 0 HA GLU A 12 17.429 -7.711 -13.416 1.00 34.52 H new ATOM 0 HB2 GLU A 12 14.870 -6.789 -12.078 1.00 1.51 H new ATOM 0 HB3 GLU A 12 15.853 -8.183 -11.676 1.00 1.51 H new ATOM 0 HG2 GLU A 12 17.712 -6.580 -11.033 1.00 4.22 H new ATOM 0 HG3 GLU A 12 16.575 -5.265 -11.257 1.00 4.22 H new ATOM 138 N LEU A 13 14.647 -6.874 -14.940 1.00 11.21 N ATOM 139 CA LEU A 13 13.660 -7.316 -15.919 1.00 55.10 C ATOM 140 C LEU A 13 14.342 -7.847 -17.176 1.00 60.11 C ATOM 141 O LEU A 13 13.983 -8.907 -17.689 1.00 43.42 O ATOM 142 CB LEU A 13 12.721 -6.165 -16.283 1.00 14.43 C ATOM 143 CG LEU A 13 11.416 -6.557 -16.977 1.00 35.51 C ATOM 144 CD1 LEU A 13 10.537 -7.372 -16.042 1.00 25.54 C ATOM 145 CD2 LEU A 13 10.679 -5.318 -17.464 1.00 11.53 C ATOM 0 H LEU A 13 14.580 -5.887 -14.690 1.00 11.21 H new ATOM 0 HA LEU A 13 13.079 -8.123 -15.473 1.00 55.10 H new ATOM 0 HB2 LEU A 13 12.475 -5.621 -15.371 1.00 14.43 H new ATOM 0 HB3 LEU A 13 13.260 -5.474 -16.931 1.00 14.43 H new ATOM 0 HG LEU A 13 11.658 -7.174 -17.842 1.00 35.51 H new ATOM 0 HD11 LEU A 13 9.613 -7.641 -16.554 1.00 25.54 H new ATOM 0 HD12 LEU A 13 11.065 -8.278 -15.744 1.00 25.54 H new ATOM 0 HD13 LEU A 13 10.302 -6.781 -15.156 1.00 25.54 H new ATOM 0 HD21 LEU A 13 9.753 -5.615 -17.955 1.00 11.53 H new ATOM 0 HD22 LEU A 13 10.449 -4.674 -16.615 1.00 11.53 H new ATOM 0 HD23 LEU A 13 11.307 -4.776 -18.171 1.00 11.53 H new ATOM 157 N ASP A 14 15.329 -7.105 -17.666 1.00 31.03 N ATOM 158 CA ASP A 14 16.064 -7.503 -18.862 1.00 10.25 C ATOM 159 C ASP A 14 16.597 -8.925 -18.724 1.00 52.41 C ATOM 160 O ASP A 14 16.383 -9.767 -19.596 1.00 35.33 O ATOM 161 CB ASP A 14 17.220 -6.534 -19.121 1.00 44.24 C ATOM 162 CG ASP A 14 16.876 -5.490 -20.164 1.00 34.22 C ATOM 163 OD1 ASP A 14 15.676 -5.184 -20.327 1.00 52.12 O ATOM 164 OD2 ASP A 14 17.807 -4.976 -20.818 1.00 75.11 O1- ATOM 0 H ASP A 14 15.639 -6.225 -17.254 1.00 31.03 H new ATOM 0 HA ASP A 14 15.378 -7.473 -19.708 1.00 10.25 H new ATOM 0 HB2 ASP A 14 17.490 -6.037 -18.189 1.00 44.24 H new ATOM 0 HB3 ASP A 14 18.095 -7.096 -19.448 1.00 44.24 H new ATOM 169 N LYS A 15 17.293 -9.187 -17.622 1.00 4.25 N ATOM 170 CA LYS A 15 17.857 -10.507 -17.368 1.00 61.23 C ATOM 171 C LYS A 15 16.754 -11.531 -17.120 1.00 35.22 C ATOM 172 O LYS A 15 16.811 -12.652 -17.627 1.00 60.23 O ATOM 173 CB LYS A 15 18.802 -10.458 -16.165 1.00 63.01 C ATOM 174 CG LYS A 15 20.222 -10.054 -16.523 1.00 3.44 C ATOM 175 CD LYS A 15 20.668 -8.833 -15.738 1.00 22.42 C ATOM 176 CE LYS A 15 21.867 -8.159 -16.389 1.00 2.21 C ATOM 177 NZ LYS A 15 21.714 -6.678 -16.436 1.00 15.11 N1+ ATOM 0 H LYS A 15 17.480 -8.501 -16.890 1.00 4.25 H new ATOM 0 HA LYS A 15 18.419 -10.811 -18.251 1.00 61.23 H new ATOM 0 HB2 LYS A 15 18.407 -9.755 -15.432 1.00 63.01 H new ATOM 0 HB3 LYS A 15 18.821 -11.438 -15.689 1.00 63.01 H new ATOM 0 HG2 LYS A 15 20.899 -10.884 -16.322 1.00 3.44 H new ATOM 0 HG3 LYS A 15 20.283 -9.844 -17.591 1.00 3.44 H new ATOM 0 HD2 LYS A 15 19.844 -8.123 -15.668 1.00 22.42 H new ATOM 0 HD3 LYS A 15 20.923 -9.127 -14.720 1.00 22.42 H new ATOM 0 HE2 LYS A 15 22.771 -8.413 -15.836 1.00 2.21 H new ATOM 0 HE3 LYS A 15 21.994 -8.543 -17.401 1.00 2.21 H new ATOM 0 HZ1 LYS A 15 22.551 -6.257 -16.887 1.00 15.11 H new ATOM 0 HZ2 LYS A 15 20.865 -6.434 -16.986 1.00 15.11 H new ATOM 0 HZ3 LYS A 15 21.618 -6.308 -15.469 1.00 15.11 H new ATOM 191 N TRP A 16 15.754 -11.139 -16.340 1.00 54.52 N ATOM 192 CA TRP A 16 14.637 -12.025 -16.027 1.00 73.22 C ATOM 193 C TRP A 16 14.029 -12.604 -17.300 1.00 24.01 C ATOM 194 O TRP A 16 13.730 -13.795 -17.368 1.00 0.12 O ATOM 195 CB TRP A 16 13.570 -11.271 -15.233 1.00 64.43 C ATOM 196 CG TRP A 16 12.316 -12.064 -15.023 1.00 43.42 C ATOM 197 CD1 TRP A 16 11.194 -12.046 -15.802 1.00 43.24 C ATOM 198 CD2 TRP A 16 12.055 -12.990 -13.963 1.00 40.22 C ATOM 199 NE1 TRP A 16 10.252 -12.906 -15.290 1.00 22.04 N ATOM 200 CE2 TRP A 16 10.756 -13.498 -14.162 1.00 32.14 C ATOM 201 CE3 TRP A 16 12.793 -13.442 -12.865 1.00 61.33 C ATOM 202 CZ2 TRP A 16 10.182 -14.432 -13.304 1.00 31.20 C ATOM 203 CZ3 TRP A 16 12.222 -14.370 -12.014 1.00 70.50 C ATOM 204 CH2 TRP A 16 10.928 -14.856 -12.238 1.00 42.24 C ATOM 0 H TRP A 16 15.693 -10.215 -15.913 1.00 54.52 H new ATOM 0 HA TRP A 16 15.016 -12.848 -15.421 1.00 73.22 H new ATOM 0 HB2 TRP A 16 13.980 -10.989 -14.263 1.00 64.43 H new ATOM 0 HB3 TRP A 16 13.324 -10.347 -15.756 1.00 64.43 H new ATOM 0 HD1 TRP A 16 11.066 -11.444 -16.690 1.00 43.24 H new ATOM 0 HE1 TRP A 16 9.327 -13.076 -15.686 1.00 22.04 H new ATOM 0 HE3 TRP A 16 13.792 -13.073 -12.685 1.00 61.33 H new ATOM 0 HZ2 TRP A 16 9.184 -14.808 -13.474 1.00 31.20 H new ATOM 0 HZ3 TRP A 16 12.783 -14.726 -11.163 1.00 70.50 H new ATOM 0 HH2 TRP A 16 10.510 -15.581 -11.555 1.00 42.24 H new ATOM 215 N GLU A 17 13.847 -11.752 -18.305 1.00 3.21 N ATOM 216 CA GLU A 17 13.273 -12.181 -19.574 1.00 71.44 C ATOM 217 C GLU A 17 14.217 -13.130 -20.305 1.00 54.04 C ATOM 218 O GLU A 17 13.785 -13.961 -21.106 1.00 4.13 O ATOM 219 CB GLU A 17 12.967 -10.968 -20.457 1.00 40.44 C ATOM 220 CG GLU A 17 11.709 -10.220 -20.048 1.00 54.43 C ATOM 221 CD GLU A 17 11.193 -9.305 -21.141 1.00 34.10 C ATOM 222 OE1 GLU A 17 10.912 -9.808 -22.250 1.00 22.31 O ATOM 223 OE2 GLU A 17 11.072 -8.089 -20.890 1.00 45.21 O1- ATOM 0 H GLU A 17 14.089 -10.762 -18.264 1.00 3.21 H new ATOM 0 HA GLU A 17 12.344 -12.711 -19.362 1.00 71.44 H new ATOM 0 HB2 GLU A 17 13.814 -10.283 -20.425 1.00 40.44 H new ATOM 0 HB3 GLU A 17 12.864 -11.298 -21.491 1.00 40.44 H new ATOM 0 HG2 GLU A 17 10.933 -10.939 -19.785 1.00 54.43 H new ATOM 0 HG3 GLU A 17 11.915 -9.632 -19.154 1.00 54.43 H new ATOM 230 N LYS A 18 15.509 -13.003 -20.025 1.00 23.03 N ATOM 231 CA LYS A 18 16.517 -13.849 -20.653 1.00 71.20 C ATOM 232 C LYS A 18 16.541 -15.234 -20.014 1.00 31.51 C ATOM 233 O LYS A 18 16.613 -16.247 -20.709 1.00 71.34 O ATOM 234 CB LYS A 18 17.899 -13.200 -20.543 1.00 41.24 C ATOM 235 CG LYS A 18 18.434 -12.679 -21.866 1.00 44.10 C ATOM 236 CD LYS A 18 19.159 -13.766 -22.640 1.00 31.14 C ATOM 237 CE LYS A 18 18.496 -14.032 -23.983 1.00 22.10 C ATOM 238 NZ LYS A 18 18.569 -12.847 -24.883 1.00 4.55 N1+ ATOM 0 H LYS A 18 15.884 -12.321 -19.366 1.00 23.03 H new ATOM 0 HA LYS A 18 16.257 -13.959 -21.706 1.00 71.20 H new ATOM 0 HB2 LYS A 18 17.848 -12.376 -19.831 1.00 41.24 H new ATOM 0 HB3 LYS A 18 18.602 -13.928 -20.138 1.00 41.24 H new ATOM 0 HG2 LYS A 18 17.610 -12.292 -22.466 1.00 44.10 H new ATOM 0 HG3 LYS A 18 19.113 -11.847 -21.682 1.00 44.10 H new ATOM 0 HD2 LYS A 18 20.197 -13.471 -22.797 1.00 31.14 H new ATOM 0 HD3 LYS A 18 19.174 -14.684 -22.052 1.00 31.14 H new ATOM 0 HE2 LYS A 18 18.978 -14.883 -24.464 1.00 22.10 H new ATOM 0 HE3 LYS A 18 17.452 -14.304 -23.825 1.00 22.10 H new ATOM 0 HZ1 LYS A 18 18.410 -13.147 -25.866 1.00 4.55 H new ATOM 0 HZ2 LYS A 18 17.840 -12.158 -24.609 1.00 4.55 H new ATOM 0 HZ3 LYS A 18 19.508 -12.407 -24.803 1.00 4.55 H new ATOM 252 N ILE A 19 16.479 -15.268 -18.687 1.00 73.52 N ATOM 253 CA ILE A 19 16.492 -16.529 -17.956 1.00 3.24 C ATOM 254 C ILE A 19 15.430 -17.485 -18.489 1.00 11.11 C ATOM 255 O ILE A 19 14.325 -17.069 -18.836 1.00 44.24 O ATOM 256 CB ILE A 19 16.257 -16.307 -16.449 1.00 41.13 C ATOM 257 CG1 ILE A 19 17.327 -15.378 -15.875 1.00 22.12 C ATOM 258 CG2 ILE A 19 16.254 -17.639 -15.712 1.00 64.34 C ATOM 259 CD1 ILE A 19 16.943 -14.761 -14.548 1.00 14.34 C ATOM 0 H ILE A 19 16.419 -14.438 -18.097 1.00 73.52 H new ATOM 0 HA ILE A 19 17.479 -16.969 -18.102 1.00 3.24 H new ATOM 0 HB ILE A 19 15.283 -15.836 -16.314 1.00 41.13 H new ATOM 0 HG12 ILE A 19 18.254 -15.938 -15.752 1.00 22.12 H new ATOM 0 HG13 ILE A 19 17.528 -14.582 -16.592 1.00 22.12 H new ATOM 0 HG21 ILE A 19 16.087 -17.466 -14.649 1.00 64.34 H new ATOM 0 HG22 ILE A 19 15.458 -18.271 -16.106 1.00 64.34 H new ATOM 0 HG23 ILE A 19 17.215 -18.135 -15.852 1.00 64.34 H new ATOM 0 HD11 ILE A 19 17.749 -14.114 -14.201 1.00 14.34 H new ATOM 0 HD12 ILE A 19 16.033 -14.174 -14.670 1.00 14.34 H new ATOM 0 HD13 ILE A 19 16.770 -15.550 -13.816 1.00 14.34 H new ATOM 271 N ARG A 20 15.774 -18.767 -18.551 1.00 12.43 N ATOM 272 CA ARG A 20 14.851 -19.783 -19.042 1.00 4.21 C ATOM 273 C ARG A 20 14.272 -20.595 -17.887 1.00 40.34 C ATOM 274 O ARG A 20 14.878 -20.695 -16.819 1.00 51.42 O ATOM 275 CB ARG A 20 15.560 -20.713 -20.028 1.00 61.53 C ATOM 276 CG ARG A 20 15.973 -20.028 -21.320 1.00 74.31 C ATOM 277 CD ARG A 20 16.253 -21.039 -22.422 1.00 21.21 C ATOM 278 NE ARG A 20 16.651 -20.392 -23.669 1.00 73.14 N ATOM 279 CZ ARG A 20 17.823 -19.792 -23.845 1.00 71.53 C ATOM 280 NH1 ARG A 20 18.708 -19.757 -22.859 1.00 71.21 N1+ ATOM 281 NH2 ARG A 20 18.112 -19.227 -25.011 1.00 2.25 N ATOM 0 H ARG A 20 16.685 -19.127 -18.267 1.00 12.43 H new ATOM 0 HA ARG A 20 14.033 -19.277 -19.554 1.00 4.21 H new ATOM 0 HB2 ARG A 20 16.445 -21.130 -19.549 1.00 61.53 H new ATOM 0 HB3 ARG A 20 14.901 -21.549 -20.264 1.00 61.53 H new ATOM 0 HG2 ARG A 20 15.184 -19.348 -21.641 1.00 74.31 H new ATOM 0 HG3 ARG A 20 16.863 -19.424 -21.144 1.00 74.31 H new ATOM 0 HD2 ARG A 20 17.041 -21.719 -22.099 1.00 21.21 H new ATOM 0 HD3 ARG A 20 15.362 -21.643 -22.595 1.00 21.21 H new ATOM 0 HE ARG A 20 15.993 -20.401 -24.448 1.00 73.14 H new ATOM 0 HH11 ARG A 20 18.490 -20.191 -21.962 1.00 71.21 H new ATOM 0 HH12 ARG A 20 19.607 -19.296 -22.997 1.00 71.21 H new ATOM 0 HH21 ARG A 20 17.434 -19.253 -25.772 1.00 2.25 H new ATOM 0 HH22 ARG A 20 19.012 -18.766 -25.145 1.00 2.25 H new ATOM 295 N LEU A 21 13.097 -21.173 -18.107 1.00 64.44 N ATOM 296 CA LEU A 21 12.435 -21.976 -17.085 1.00 72.53 C ATOM 297 C LEU A 21 13.148 -23.310 -16.895 1.00 10.31 C ATOM 298 O LEU A 21 13.418 -23.726 -15.768 1.00 75.14 O ATOM 299 CB LEU A 21 10.972 -22.216 -17.465 1.00 12.43 C ATOM 300 CG LEU A 21 10.166 -20.975 -17.849 1.00 20.14 C ATOM 301 CD1 LEU A 21 9.170 -21.305 -18.950 1.00 33.12 C ATOM 302 CD2 LEU A 21 9.449 -20.408 -16.632 1.00 11.43 C ATOM 0 H LEU A 21 12.582 -21.101 -18.985 1.00 64.44 H new ATOM 0 HA LEU A 21 12.474 -21.427 -16.144 1.00 72.53 H new ATOM 0 HB2 LEU A 21 10.945 -22.915 -18.301 1.00 12.43 H new ATOM 0 HB3 LEU A 21 10.475 -22.702 -16.626 1.00 12.43 H new ATOM 0 HG LEU A 21 10.855 -20.219 -18.225 1.00 20.14 H new ATOM 0 HD11 LEU A 21 8.605 -20.410 -19.210 1.00 33.12 H new ATOM 0 HD12 LEU A 21 9.705 -21.665 -19.829 1.00 33.12 H new ATOM 0 HD13 LEU A 21 8.485 -22.077 -18.601 1.00 33.12 H new ATOM 0 HD21 LEU A 21 8.880 -19.525 -16.923 1.00 11.43 H new ATOM 0 HD22 LEU A 21 8.771 -21.159 -16.227 1.00 11.43 H new ATOM 0 HD23 LEU A 21 10.182 -20.133 -15.873 1.00 11.43 H new ATOM 314 N ARG A 22 13.454 -23.976 -18.004 1.00 64.31 N ATOM 315 CA ARG A 22 14.137 -25.262 -17.960 1.00 53.55 C ATOM 316 C ARG A 22 15.474 -25.194 -18.692 1.00 70.22 C ATOM 317 O ARG A 22 15.661 -24.409 -19.621 1.00 71.01 O ATOM 318 CB ARG A 22 13.259 -26.352 -18.579 1.00 31.11 C ATOM 319 CG ARG A 22 12.685 -25.974 -19.935 1.00 44.22 C ATOM 320 CD ARG A 22 11.227 -25.557 -19.824 1.00 60.15 C ATOM 321 NE ARG A 22 10.317 -26.665 -20.106 1.00 32.33 N ATOM 322 CZ ARG A 22 9.026 -26.651 -19.800 1.00 42.14 C ATOM 323 NH1 ARG A 22 8.493 -25.592 -19.206 1.00 62.31 N1+ ATOM 324 NH2 ARG A 22 8.263 -27.698 -20.089 1.00 5.45 N ATOM 0 H ARG A 22 13.239 -23.645 -18.945 1.00 64.31 H new ATOM 0 HA ARG A 22 14.327 -25.508 -16.915 1.00 53.55 H new ATOM 0 HB2 ARG A 22 13.847 -27.264 -18.684 1.00 31.11 H new ATOM 0 HB3 ARG A 22 12.439 -26.578 -17.897 1.00 31.11 H new ATOM 0 HG2 ARG A 22 13.267 -25.158 -20.363 1.00 44.22 H new ATOM 0 HG3 ARG A 22 12.772 -26.820 -20.617 1.00 44.22 H new ATOM 0 HD2 ARG A 22 11.034 -25.176 -18.821 1.00 60.15 H new ATOM 0 HD3 ARG A 22 11.030 -24.740 -20.518 1.00 60.15 H new ATOM 0 HE ARG A 22 10.695 -27.495 -20.563 1.00 32.33 H new ATOM 0 HH11 ARG A 22 9.076 -24.785 -18.983 1.00 62.31 H new ATOM 0 HH12 ARG A 22 7.500 -25.584 -18.972 1.00 62.31 H new ATOM 0 HH21 ARG A 22 8.669 -28.514 -20.547 1.00 5.45 H new ATOM 0 HH22 ARG A 22 7.271 -27.686 -19.853 1.00 5.45 H new ATOM 338 N PRO A 23 16.427 -26.035 -18.264 1.00 21.41 N ATOM 339 CA PRO A 23 17.764 -26.088 -18.865 1.00 42.14 C ATOM 340 C PRO A 23 17.742 -26.674 -20.273 1.00 23.33 C ATOM 341 O PRO A 23 18.447 -26.199 -21.164 1.00 4.45 O ATOM 342 CB PRO A 23 18.542 -27.004 -17.917 1.00 2.34 C ATOM 343 CG PRO A 23 17.502 -27.858 -17.276 1.00 21.54 C ATOM 344 CD PRO A 23 16.274 -26.998 -17.160 1.00 34.40 C ATOM 0 HA PRO A 23 18.202 -25.096 -18.976 1.00 42.14 H new ATOM 0 HB2 PRO A 23 19.271 -27.607 -18.459 1.00 2.34 H new ATOM 0 HB3 PRO A 23 19.094 -26.428 -17.174 1.00 2.34 H new ATOM 0 HG2 PRO A 23 17.302 -28.746 -17.876 1.00 21.54 H new ATOM 0 HG3 PRO A 23 17.831 -28.204 -16.296 1.00 21.54 H new ATOM 0 HD2 PRO A 23 15.361 -27.585 -17.262 1.00 34.40 H new ATOM 0 HD3 PRO A 23 16.224 -26.497 -16.193 1.00 34.40 H new ATOM 352 N GLY A 24 16.929 -27.707 -20.467 1.00 71.45 N ATOM 353 CA GLY A 24 16.832 -28.339 -21.771 1.00 52.20 C ATOM 354 C GLY A 24 15.510 -28.053 -22.456 1.00 53.33 C ATOM 355 O GLY A 24 14.792 -28.974 -22.841 1.00 70.05 O ATOM 0 H GLY A 24 16.336 -28.118 -19.746 1.00 71.45 H new ATOM 0 HA2 GLY A 24 17.648 -27.989 -22.403 1.00 52.20 H new ATOM 0 HA3 GLY A 24 16.955 -29.416 -21.659 1.00 52.20 H new ATOM 359 N GLY A 25 15.188 -26.772 -22.608 1.00 54.44 N ATOM 360 CA GLY A 25 13.944 -26.391 -23.250 1.00 74.22 C ATOM 361 C GLY A 25 14.127 -25.264 -24.246 1.00 31.55 C ATOM 362 O GLY A 25 15.254 -24.906 -24.591 1.00 72.20 O ATOM 0 H GLY A 25 15.767 -25.991 -22.298 1.00 54.44 H new ATOM 0 HA2 GLY A 25 13.522 -27.257 -23.760 1.00 74.22 H new ATOM 0 HA3 GLY A 25 13.225 -26.087 -22.490 1.00 74.22 H new ATOM 366 N LYS A 26 13.016 -24.702 -24.712 1.00 13.15 N ATOM 367 CA LYS A 26 13.059 -23.608 -25.675 1.00 60.33 C ATOM 368 C LYS A 26 12.095 -22.495 -25.276 1.00 54.00 C ATOM 369 O LYS A 26 11.377 -21.950 -26.115 1.00 34.14 O ATOM 370 CB LYS A 26 12.710 -24.120 -27.075 1.00 14.22 C ATOM 371 CG LYS A 26 13.645 -25.209 -27.574 1.00 54.23 C ATOM 372 CD LYS A 26 13.153 -25.812 -28.878 1.00 61.43 C ATOM 373 CE LYS A 26 13.077 -24.767 -29.981 1.00 54.14 C ATOM 374 NZ LYS A 26 13.763 -25.222 -31.223 1.00 12.15 N1+ ATOM 0 H LYS A 26 12.075 -24.986 -24.438 1.00 13.15 H new ATOM 0 HA LYS A 26 14.071 -23.204 -25.684 1.00 60.33 H new ATOM 0 HB2 LYS A 26 11.690 -24.503 -27.069 1.00 14.22 H new ATOM 0 HB3 LYS A 26 12.732 -23.284 -27.775 1.00 14.22 H new ATOM 0 HG2 LYS A 26 14.643 -24.795 -27.717 1.00 54.23 H new ATOM 0 HG3 LYS A 26 13.729 -25.991 -26.819 1.00 54.23 H new ATOM 0 HD2 LYS A 26 13.822 -26.617 -29.183 1.00 61.43 H new ATOM 0 HD3 LYS A 26 12.169 -26.255 -28.727 1.00 61.43 H new ATOM 0 HE2 LYS A 26 12.033 -24.548 -30.202 1.00 54.14 H new ATOM 0 HE3 LYS A 26 13.531 -23.839 -29.634 1.00 54.14 H new ATOM 0 HZ1 LYS A 26 13.689 -24.483 -31.951 1.00 12.15 H new ATOM 0 HZ2 LYS A 26 14.766 -25.407 -31.018 1.00 12.15 H new ATOM 0 HZ3 LYS A 26 13.313 -26.094 -31.568 1.00 12.15 H new ATOM 388 N LYS A 27 12.085 -22.160 -23.990 1.00 55.23 N ATOM 389 CA LYS A 27 11.212 -21.110 -23.479 1.00 33.11 C ATOM 390 C LYS A 27 11.970 -20.187 -22.531 1.00 13.42 C ATOM 391 O LYS A 27 12.990 -20.572 -21.959 1.00 51.44 O ATOM 392 CB LYS A 27 10.009 -21.724 -22.759 1.00 34.44 C ATOM 393 CG LYS A 27 8.752 -20.876 -22.845 1.00 60.01 C ATOM 394 CD LYS A 27 7.832 -21.355 -23.956 1.00 25.24 C ATOM 395 CE LYS A 27 8.113 -20.631 -25.264 1.00 53.44 C ATOM 396 NZ LYS A 27 7.042 -19.653 -25.598 1.00 21.31 N1+ ATOM 0 H LYS A 27 12.672 -22.601 -23.282 1.00 55.23 H new ATOM 0 HA LYS A 27 10.858 -20.521 -24.325 1.00 33.11 H new ATOM 0 HB2 LYS A 27 9.804 -22.707 -23.184 1.00 34.44 H new ATOM 0 HB3 LYS A 27 10.263 -21.877 -21.710 1.00 34.44 H new ATOM 0 HG2 LYS A 27 8.223 -20.910 -21.893 1.00 60.01 H new ATOM 0 HG3 LYS A 27 9.025 -19.835 -23.021 1.00 60.01 H new ATOM 0 HD2 LYS A 27 7.960 -22.428 -24.098 1.00 25.24 H new ATOM 0 HD3 LYS A 27 6.794 -21.193 -23.665 1.00 25.24 H new ATOM 0 HE2 LYS A 27 9.069 -20.112 -25.194 1.00 53.44 H new ATOM 0 HE3 LYS A 27 8.204 -21.359 -26.070 1.00 53.44 H new ATOM 0 HZ1 LYS A 27 7.271 -19.181 -26.496 1.00 21.31 H new ATOM 0 HZ2 LYS A 27 6.134 -20.151 -25.690 1.00 21.31 H new ATOM 0 HZ3 LYS A 27 6.972 -18.943 -24.841 1.00 21.31 H new ATOM 410 N GLN A 28 11.465 -18.969 -22.367 1.00 63.14 N ATOM 411 CA GLN A 28 12.094 -17.992 -21.486 1.00 13.42 C ATOM 412 C GLN A 28 11.121 -17.524 -20.409 1.00 64.21 C ATOM 413 O GLN A 28 9.938 -17.865 -20.436 1.00 22.13 O ATOM 414 CB GLN A 28 12.594 -16.794 -22.294 1.00 10.14 C ATOM 415 CG GLN A 28 11.592 -16.289 -23.319 1.00 32.35 C ATOM 416 CD GLN A 28 10.345 -15.711 -22.680 1.00 22.25 C ATOM 417 OE1 GLN A 28 10.359 -14.591 -22.167 1.00 0.34 O ATOM 418 NE2 GLN A 28 9.257 -16.471 -22.707 1.00 54.34 N ATOM 0 H GLN A 28 10.621 -18.635 -22.833 1.00 63.14 H new ATOM 0 HA GLN A 28 12.942 -18.472 -20.999 1.00 13.42 H new ATOM 0 HB2 GLN A 28 12.841 -15.982 -21.609 1.00 10.14 H new ATOM 0 HB3 GLN A 28 13.516 -17.071 -22.806 1.00 10.14 H new ATOM 0 HG2 GLN A 28 12.065 -15.527 -23.939 1.00 32.35 H new ATOM 0 HG3 GLN A 28 11.310 -17.108 -23.980 1.00 32.35 H new ATOM 0 HE21 GLN A 28 9.290 -17.393 -23.142 1.00 54.34 H new ATOM 0 HE22 GLN A 28 8.388 -16.133 -22.292 1.00 54.34 H new ATOM 427 N TYR A 29 11.626 -16.742 -19.462 1.00 34.03 N ATOM 428 CA TYR A 29 10.803 -16.228 -18.374 1.00 43.32 C ATOM 429 C TYR A 29 10.102 -14.937 -18.784 1.00 3.54 C ATOM 430 O TYR A 29 10.606 -14.178 -19.612 1.00 43.22 O ATOM 431 CB TYR A 29 11.659 -15.985 -17.130 1.00 1.14 C ATOM 432 CG TYR A 29 11.618 -17.121 -16.134 1.00 63.02 C ATOM 433 CD1 TYR A 29 10.516 -17.307 -15.308 1.00 21.01 C ATOM 434 CD2 TYR A 29 12.681 -18.008 -16.018 1.00 61.13 C ATOM 435 CE1 TYR A 29 10.475 -18.344 -14.395 1.00 71.13 C ATOM 436 CE2 TYR A 29 12.647 -19.050 -15.110 1.00 24.14 C ATOM 437 CZ TYR A 29 11.542 -19.212 -14.300 1.00 74.53 C ATOM 438 OH TYR A 29 11.505 -20.247 -13.394 1.00 32.34 O ATOM 0 H TYR A 29 12.603 -16.450 -19.426 1.00 34.03 H new ATOM 0 HA TYR A 29 10.043 -16.974 -18.143 1.00 43.32 H new ATOM 0 HB2 TYR A 29 12.692 -15.819 -17.437 1.00 1.14 H new ATOM 0 HB3 TYR A 29 11.322 -15.072 -16.640 1.00 1.14 H new ATOM 0 HD1 TYR A 29 9.678 -16.630 -15.381 1.00 21.01 H new ATOM 0 HD2 TYR A 29 13.549 -17.881 -16.648 1.00 61.13 H new ATOM 0 HE1 TYR A 29 9.612 -18.474 -13.759 1.00 71.13 H new ATOM 0 HE2 TYR A 29 13.480 -19.733 -15.035 1.00 24.14 H new ATOM 0 HH TYR A 29 12.183 -20.914 -13.631 1.00 32.34 H new ATOM 448 N LYS A 30 8.934 -14.694 -18.197 1.00 51.33 N ATOM 449 CA LYS A 30 8.161 -13.495 -18.498 1.00 15.20 C ATOM 450 C LYS A 30 7.359 -13.045 -17.281 1.00 10.43 C ATOM 451 O LYS A 30 7.229 -13.783 -16.304 1.00 0.50 O ATOM 452 CB LYS A 30 7.219 -13.752 -19.676 1.00 0.10 C ATOM 453 CG LYS A 30 7.706 -13.156 -20.986 1.00 30.04 C ATOM 454 CD LYS A 30 6.873 -11.953 -21.394 1.00 64.04 C ATOM 455 CE LYS A 30 7.516 -11.194 -22.544 1.00 32.30 C ATOM 456 NZ LYS A 30 6.587 -10.192 -23.137 1.00 1.02 N1+ ATOM 0 H LYS A 30 8.502 -15.312 -17.510 1.00 51.33 H new ATOM 0 HA LYS A 30 8.859 -12.701 -18.766 1.00 15.20 H new ATOM 0 HB2 LYS A 30 7.092 -14.827 -19.801 1.00 0.10 H new ATOM 0 HB3 LYS A 30 6.237 -13.340 -19.442 1.00 0.10 H new ATOM 0 HG2 LYS A 30 8.750 -12.860 -20.886 1.00 30.04 H new ATOM 0 HG3 LYS A 30 7.663 -13.913 -21.770 1.00 30.04 H new ATOM 0 HD2 LYS A 30 5.876 -12.282 -21.686 1.00 64.04 H new ATOM 0 HD3 LYS A 30 6.751 -11.287 -20.540 1.00 64.04 H new ATOM 0 HE2 LYS A 30 8.415 -10.690 -22.189 1.00 32.30 H new ATOM 0 HE3 LYS A 30 7.829 -11.899 -23.314 1.00 32.30 H new ATOM 0 HZ1 LYS A 30 7.063 -9.696 -23.917 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 5.740 -10.675 -23.499 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 6.308 -9.504 -22.409 1.00 1.02 H new ATOM 470 N LEU A 31 6.824 -11.832 -17.347 1.00 31.40 N ATOM 471 CA LEU A 31 6.032 -11.283 -16.251 1.00 54.41 C ATOM 472 C LEU A 31 4.904 -12.234 -15.866 1.00 52.33 C ATOM 473 O LEU A 31 4.461 -12.257 -14.717 1.00 44.05 O ATOM 474 CB LEU A 31 5.456 -9.922 -16.642 1.00 1.41 C ATOM 475 CG LEU A 31 5.582 -8.814 -15.596 1.00 0.32 C ATOM 476 CD1 LEU A 31 6.957 -8.168 -15.665 1.00 61.22 C ATOM 477 CD2 LEU A 31 4.490 -7.771 -15.789 1.00 12.23 C ATOM 0 H LEU A 31 6.924 -11.209 -18.148 1.00 31.40 H new ATOM 0 HA LEU A 31 6.688 -11.158 -15.389 1.00 54.41 H new ATOM 0 HB2 LEU A 31 5.950 -9.590 -17.555 1.00 1.41 H new ATOM 0 HB3 LEU A 31 4.400 -10.051 -16.880 1.00 1.41 H new ATOM 0 HG LEU A 31 5.462 -9.258 -14.608 1.00 0.32 H new ATOM 0 HD11 LEU A 31 7.028 -7.382 -14.913 1.00 61.22 H new ATOM 0 HD12 LEU A 31 7.722 -8.921 -15.476 1.00 61.22 H new ATOM 0 HD13 LEU A 31 7.108 -7.738 -16.655 1.00 61.22 H new ATOM 0 HD21 LEU A 31 4.595 -6.990 -15.036 1.00 12.23 H new ATOM 0 HD22 LEU A 31 4.578 -7.331 -16.782 1.00 12.23 H new ATOM 0 HD23 LEU A 31 3.513 -8.244 -15.687 1.00 12.23 H new ATOM 489 N LYS A 32 4.444 -13.022 -16.833 1.00 22.45 N ATOM 490 CA LYS A 32 3.369 -13.978 -16.595 1.00 32.51 C ATOM 491 C LYS A 32 3.682 -14.860 -15.391 1.00 72.13 C ATOM 492 O LYS A 32 2.777 -15.311 -14.688 1.00 14.33 O ATOM 493 CB LYS A 32 3.151 -14.847 -17.836 1.00 65.14 C ATOM 494 CG LYS A 32 1.710 -14.867 -18.318 1.00 14.13 C ATOM 495 CD LYS A 32 1.486 -13.873 -19.445 1.00 40.34 C ATOM 496 CE LYS A 32 1.826 -14.479 -20.798 1.00 14.22 C ATOM 497 NZ LYS A 32 3.080 -13.907 -21.362 1.00 53.40 N1+ ATOM 0 H LYS A 32 4.799 -13.017 -17.789 1.00 22.45 H new ATOM 0 HA LYS A 32 2.457 -13.419 -16.385 1.00 32.51 H new ATOM 0 HB2 LYS A 32 3.790 -14.483 -18.641 1.00 65.14 H new ATOM 0 HB3 LYS A 32 3.466 -15.867 -17.615 1.00 65.14 H new ATOM 0 HG2 LYS A 32 1.453 -15.870 -18.660 1.00 14.13 H new ATOM 0 HG3 LYS A 32 1.044 -14.633 -17.487 1.00 14.13 H new ATOM 0 HD2 LYS A 32 0.446 -13.546 -19.442 1.00 40.34 H new ATOM 0 HD3 LYS A 32 2.099 -12.987 -19.278 1.00 40.34 H new ATOM 0 HE2 LYS A 32 1.933 -15.559 -20.696 1.00 14.22 H new ATOM 0 HE3 LYS A 32 1.003 -14.305 -21.491 1.00 14.22 H new ATOM 0 HZ1 LYS A 32 3.585 -14.640 -21.900 1.00 53.40 H new ATOM 0 HZ2 LYS A 32 2.847 -13.113 -21.993 1.00 53.40 H new ATOM 0 HZ3 LYS A 32 3.686 -13.567 -20.588 1.00 53.40 H new ATOM 511 N HIS A 33 4.968 -15.102 -15.159 1.00 51.00 N ATOM 512 CA HIS A 33 5.401 -15.930 -14.038 1.00 32.53 C ATOM 513 C HIS A 33 5.527 -15.096 -12.766 1.00 33.10 C ATOM 514 O HIS A 33 5.218 -15.636 -11.703 1.00 64.41 O ATOM 515 CB HIS A 33 6.738 -16.599 -14.356 1.00 70.30 C ATOM 516 CG HIS A 33 6.767 -17.273 -15.693 1.00 73.55 C ATOM 517 ND1 HIS A 33 7.586 -16.865 -16.725 1.00 74.21 N ATOM 518 CD2 HIS A 33 6.070 -18.334 -16.166 1.00 31.03 C ATOM 519 CE1 HIS A 33 7.392 -17.645 -17.774 1.00 22.12 C ATOM 520 NE2 HIS A 33 6.478 -18.545 -17.459 1.00 63.23 N ATOM 0 H HIS A 33 5.729 -14.737 -15.732 1.00 51.00 H new ATOM 0 HA HIS A 33 4.648 -16.701 -13.875 1.00 32.53 H new ATOM 0 HB2 HIS A 33 7.528 -15.849 -14.319 1.00 70.30 H new ATOM 0 HB3 HIS A 33 6.960 -17.334 -13.583 1.00 70.30 H new ATOM 0 HD2 HIS A 33 5.331 -18.907 -15.626 1.00 31.03 H new ATOM 0 HE1 HIS A 33 7.895 -17.561 -18.726 1.00 22.12 H new ATOM 0 HE2 HIS A 33 6.131 -19.279 -18.077 1.00 63.23 H new ATOM 528 N ILE A 34 5.957 -13.840 -12.842 1.00 50.41 N ATOM 529 CA ILE A 34 6.092 -13.007 -11.654 1.00 72.50 C ATOM 530 C ILE A 34 4.727 -12.661 -11.066 1.00 73.32 C ATOM 531 O ILE A 34 4.562 -12.598 -9.849 1.00 54.44 O ATOM 532 CB ILE A 34 6.850 -11.702 -11.965 1.00 53.14 C ATOM 533 CG1 ILE A 34 8.156 -12.009 -12.701 1.00 52.32 C ATOM 534 CG2 ILE A 34 7.126 -10.932 -10.682 1.00 74.52 C ATOM 535 CD1 ILE A 34 8.923 -10.772 -13.111 1.00 15.12 C ATOM 0 H ILE A 34 6.217 -13.378 -13.713 1.00 50.41 H new ATOM 0 HA ILE A 34 6.662 -13.585 -10.927 1.00 72.50 H new ATOM 0 HB ILE A 34 6.228 -11.082 -12.611 1.00 53.14 H new ATOM 0 HG12 ILE A 34 8.789 -12.623 -12.061 1.00 52.32 H new ATOM 0 HG13 ILE A 34 7.933 -12.600 -13.590 1.00 52.32 H new ATOM 0 HG21 ILE A 34 7.662 -10.013 -10.918 1.00 74.52 H new ATOM 0 HG22 ILE A 34 6.182 -10.687 -10.194 1.00 74.52 H new ATOM 0 HG23 ILE A 34 7.732 -11.544 -10.014 1.00 74.52 H new ATOM 0 HD11 ILE A 34 9.837 -11.065 -13.627 1.00 15.12 H new ATOM 0 HD12 ILE A 34 8.308 -10.167 -13.777 1.00 15.12 H new ATOM 0 HD13 ILE A 34 9.177 -10.191 -12.224 1.00 15.12 H new ATOM 547 N VAL A 35 3.751 -12.439 -11.942 1.00 55.41 N ATOM 548 CA VAL A 35 2.400 -12.102 -11.511 1.00 54.31 C ATOM 549 C VAL A 35 1.687 -13.322 -10.938 1.00 2.44 C ATOM 550 O VAL A 35 0.935 -13.215 -9.969 1.00 65.32 O ATOM 551 CB VAL A 35 1.565 -11.533 -12.673 1.00 75.32 C ATOM 552 CG1 VAL A 35 0.151 -11.217 -12.211 1.00 55.45 C ATOM 553 CG2 VAL A 35 2.235 -10.296 -13.253 1.00 44.34 C ATOM 0 H VAL A 35 3.871 -12.487 -12.954 1.00 55.41 H new ATOM 0 HA VAL A 35 2.495 -11.342 -10.736 1.00 54.31 H new ATOM 0 HB VAL A 35 1.504 -12.287 -13.457 1.00 75.32 H new ATOM 0 HG11 VAL A 35 -0.424 -10.816 -13.046 1.00 55.45 H new ATOM 0 HG12 VAL A 35 -0.325 -12.128 -11.847 1.00 55.45 H new ATOM 0 HG13 VAL A 35 0.187 -10.481 -11.408 1.00 55.45 H new ATOM 0 HG21 VAL A 35 1.632 -9.906 -14.073 1.00 44.34 H new ATOM 0 HG22 VAL A 35 2.328 -9.535 -12.478 1.00 44.34 H new ATOM 0 HG23 VAL A 35 3.226 -10.559 -13.624 1.00 44.34 H new ATOM 563 N TRP A 36 1.929 -14.480 -11.540 1.00 42.20 N ATOM 564 CA TRP A 36 1.310 -15.721 -11.089 1.00 13.20 C ATOM 565 C TRP A 36 1.737 -16.055 -9.664 1.00 33.10 C ATOM 566 O TRP A 36 0.898 -16.263 -8.787 1.00 21.11 O ATOM 567 CB TRP A 36 1.679 -16.870 -12.028 1.00 50.13 C ATOM 568 CG TRP A 36 1.117 -18.192 -11.599 1.00 72.21 C ATOM 569 CD1 TRP A 36 -0.158 -18.642 -11.792 1.00 20.40 C ATOM 570 CD2 TRP A 36 1.811 -19.233 -10.903 1.00 14.50 C ATOM 571 NE1 TRP A 36 -0.299 -19.900 -11.258 1.00 11.41 N ATOM 572 CE2 TRP A 36 0.895 -20.286 -10.707 1.00 24.31 C ATOM 573 CE3 TRP A 36 3.117 -19.380 -10.427 1.00 65.44 C ATOM 574 CZ2 TRP A 36 1.245 -21.465 -10.057 1.00 14.31 C ATOM 575 CZ3 TRP A 36 3.463 -20.551 -9.782 1.00 3.25 C ATOM 576 CH2 TRP A 36 2.531 -21.581 -9.601 1.00 53.24 C ATOM 0 H TRP A 36 2.550 -14.586 -12.342 1.00 42.20 H new ATOM 0 HA TRP A 36 0.229 -15.584 -11.102 1.00 13.20 H new ATOM 0 HB2 TRP A 36 1.321 -16.639 -13.031 1.00 50.13 H new ATOM 0 HB3 TRP A 36 2.765 -16.947 -12.087 1.00 50.13 H new ATOM 0 HD1 TRP A 36 -0.941 -18.090 -12.291 1.00 20.40 H new ATOM 0 HE1 TRP A 36 -1.154 -20.456 -11.270 1.00 11.41 H new ATOM 0 HE3 TRP A 36 3.843 -18.592 -10.561 1.00 65.44 H new ATOM 0 HZ2 TRP A 36 0.528 -22.260 -9.917 1.00 14.31 H new ATOM 0 HZ3 TRP A 36 4.470 -20.675 -9.411 1.00 3.25 H new ATOM 0 HH2 TRP A 36 2.833 -22.484 -9.092 1.00 53.24 H new ATOM 587 N ALA A 37 3.046 -16.106 -9.439 1.00 12.14 N ATOM 588 CA ALA A 37 3.583 -16.413 -8.119 1.00 51.03 C ATOM 589 C ALA A 37 2.965 -15.515 -7.053 1.00 13.14 C ATOM 590 O ALA A 37 2.583 -15.982 -5.980 1.00 53.30 O ATOM 591 CB ALA A 37 5.098 -16.269 -8.120 1.00 72.35 C ATOM 0 H ALA A 37 3.754 -15.939 -10.154 1.00 12.14 H new ATOM 0 HA ALA A 37 3.327 -17.445 -7.880 1.00 51.03 H new ATOM 0 HB1 ALA A 37 5.486 -16.501 -7.128 1.00 72.35 H new ATOM 0 HB2 ALA A 37 5.528 -16.957 -8.848 1.00 72.35 H new ATOM 0 HB3 ALA A 37 5.366 -15.246 -8.384 1.00 72.35 H new ATOM 597 N SER A 38 2.872 -14.224 -7.354 1.00 64.03 N ATOM 598 CA SER A 38 2.304 -13.259 -6.419 1.00 52.34 C ATOM 599 C SER A 38 0.934 -13.720 -5.929 1.00 30.33 C ATOM 600 O SER A 38 0.602 -13.571 -4.753 1.00 14.11 O ATOM 601 CB SER A 38 2.187 -11.885 -7.079 1.00 61.51 C ATOM 602 OG SER A 38 3.397 -11.158 -6.961 1.00 22.04 O ATOM 0 H SER A 38 3.183 -13.822 -8.238 1.00 64.03 H new ATOM 0 HA SER A 38 2.972 -13.185 -5.561 1.00 52.34 H new ATOM 0 HB2 SER A 38 1.932 -12.004 -8.132 1.00 61.51 H new ATOM 0 HB3 SER A 38 1.375 -11.324 -6.616 1.00 61.51 H new ATOM 0 HG SER A 38 3.297 -10.284 -7.392 1.00 22.04 H new ATOM 608 N ARG A 39 0.145 -14.279 -6.839 1.00 64.14 N ATOM 609 CA ARG A 39 -1.190 -14.760 -6.501 1.00 32.00 C ATOM 610 C ARG A 39 -1.113 -15.968 -5.573 1.00 1.12 C ATOM 611 O ARG A 39 -1.692 -15.966 -4.488 1.00 2.45 O ATOM 612 CB ARG A 39 -1.959 -15.127 -7.772 1.00 1.43 C ATOM 613 CG ARG A 39 -3.411 -14.676 -7.756 1.00 33.11 C ATOM 614 CD ARG A 39 -4.342 -15.781 -8.229 1.00 24.52 C ATOM 615 NE ARG A 39 -3.979 -16.272 -9.556 1.00 21.02 N ATOM 616 CZ ARG A 39 -4.703 -17.153 -10.237 1.00 0.31 C ATOM 617 NH1 ARG A 39 -5.824 -17.636 -9.720 1.00 12.33 N1+ ATOM 618 NH2 ARG A 39 -4.307 -17.552 -11.439 1.00 34.15 N ATOM 0 H ARG A 39 0.406 -14.411 -7.816 1.00 64.14 H new ATOM 0 HA ARG A 39 -1.718 -13.959 -5.983 1.00 32.00 H new ATOM 0 HB2 ARG A 39 -1.458 -14.681 -8.631 1.00 1.43 H new ATOM 0 HB3 ARG A 39 -1.924 -16.208 -7.908 1.00 1.43 H new ATOM 0 HG2 ARG A 39 -3.688 -14.373 -6.746 1.00 33.11 H new ATOM 0 HG3 ARG A 39 -3.529 -13.801 -8.395 1.00 33.11 H new ATOM 0 HD2 ARG A 39 -4.316 -16.606 -7.517 1.00 24.52 H new ATOM 0 HD3 ARG A 39 -5.366 -15.409 -8.248 1.00 24.52 H new ATOM 0 HE ARG A 39 -3.123 -15.919 -9.983 1.00 21.02 H new ATOM 0 HH11 ARG A 39 -6.133 -17.331 -8.797 1.00 12.33 H new ATOM 0 HH12 ARG A 39 -6.378 -18.312 -10.245 1.00 12.33 H new ATOM 0 HH21 ARG A 39 -3.446 -17.182 -11.841 1.00 34.15 H new ATOM 0 HH22 ARG A 39 -4.864 -18.229 -11.961 1.00 34.15 H new ATOM 632 N GLU A 40 -0.395 -16.999 -6.009 1.00 20.33 N ATOM 633 CA GLU A 40 -0.245 -18.213 -5.217 1.00 12.31 C ATOM 634 C GLU A 40 0.373 -17.903 -3.856 1.00 31.12 C ATOM 635 O GLU A 40 0.162 -18.630 -2.884 1.00 74.41 O ATOM 636 CB GLU A 40 0.621 -19.232 -5.962 1.00 23.34 C ATOM 637 CG GLU A 40 0.188 -20.672 -5.749 1.00 4.12 C ATOM 638 CD GLU A 40 -1.251 -20.916 -6.164 1.00 2.12 C ATOM 639 OE1 GLU A 40 -1.650 -20.419 -7.238 1.00 30.15 O ATOM 640 OE2 GLU A 40 -1.976 -21.602 -5.416 1.00 43.44 O1- ATOM 0 H GLU A 40 0.091 -17.017 -6.906 1.00 20.33 H new ATOM 0 HA GLU A 40 -1.237 -18.637 -5.059 1.00 12.31 H new ATOM 0 HB2 GLU A 40 0.594 -19.008 -7.028 1.00 23.34 H new ATOM 0 HB3 GLU A 40 1.656 -19.121 -5.639 1.00 23.34 H new ATOM 0 HG2 GLU A 40 0.843 -21.332 -6.317 1.00 4.12 H new ATOM 0 HG3 GLU A 40 0.308 -20.932 -4.697 1.00 4.12 H new ATOM 647 N LEU A 41 1.138 -16.819 -3.795 1.00 12.04 N ATOM 648 CA LEU A 41 1.789 -16.411 -2.554 1.00 31.10 C ATOM 649 C LEU A 41 0.761 -15.950 -1.526 1.00 51.23 C ATOM 650 O LEU A 41 0.645 -16.530 -0.447 1.00 33.11 O ATOM 651 CB LEU A 41 2.793 -15.289 -2.827 1.00 45.44 C ATOM 652 CG LEU A 41 4.222 -15.731 -3.145 1.00 1.43 C ATOM 653 CD1 LEU A 41 5.096 -14.525 -3.455 1.00 54.03 C ATOM 654 CD2 LEU A 41 4.804 -16.529 -1.987 1.00 42.24 C ATOM 0 H LEU A 41 1.323 -16.207 -4.589 1.00 12.04 H new ATOM 0 HA LEU A 41 2.318 -17.274 -2.149 1.00 31.10 H new ATOM 0 HB2 LEU A 41 2.424 -14.693 -3.662 1.00 45.44 H new ATOM 0 HB3 LEU A 41 2.822 -14.634 -1.956 1.00 45.44 H new ATOM 0 HG LEU A 41 4.196 -16.373 -4.026 1.00 1.43 H new ATOM 0 HD11 LEU A 41 6.109 -14.858 -3.679 1.00 54.03 H new ATOM 0 HD12 LEU A 41 4.690 -13.993 -4.316 1.00 54.03 H new ATOM 0 HD13 LEU A 41 5.115 -13.858 -2.593 1.00 54.03 H new ATOM 0 HD21 LEU A 41 5.821 -16.835 -2.231 1.00 42.24 H new ATOM 0 HD22 LEU A 41 4.817 -15.911 -1.089 1.00 42.24 H new ATOM 0 HD23 LEU A 41 4.192 -17.413 -1.810 1.00 42.24 H new ATOM 666 N GLU A 42 0.014 -14.905 -1.871 1.00 22.32 N ATOM 667 CA GLU A 42 -1.006 -14.368 -0.978 1.00 15.13 C ATOM 668 C GLU A 42 -1.958 -15.468 -0.515 1.00 23.52 C ATOM 669 O GLU A 42 -2.518 -15.398 0.579 1.00 31.01 O ATOM 670 CB GLU A 42 -1.793 -13.256 -1.676 1.00 52.41 C ATOM 671 CG GLU A 42 -1.629 -11.894 -1.025 1.00 35.35 C ATOM 672 CD GLU A 42 -2.937 -11.339 -0.495 1.00 4.13 C ATOM 673 OE1 GLU A 42 -3.941 -11.382 -1.235 1.00 62.24 O ATOM 674 OE2 GLU A 42 -2.956 -10.862 0.659 1.00 11.10 O1- ATOM 0 H GLU A 42 0.096 -14.414 -2.761 1.00 22.32 H new ATOM 0 HA GLU A 42 -0.505 -13.954 -0.103 1.00 15.13 H new ATOM 0 HB2 GLU A 42 -1.472 -13.193 -2.716 1.00 52.41 H new ATOM 0 HB3 GLU A 42 -2.850 -13.521 -1.684 1.00 52.41 H new ATOM 0 HG2 GLU A 42 -0.913 -11.971 -0.207 1.00 35.35 H new ATOM 0 HG3 GLU A 42 -1.210 -11.197 -1.751 1.00 35.35 H new ATOM 681 N ARG A 43 -2.137 -16.480 -1.357 1.00 33.54 N ATOM 682 CA ARG A 43 -3.022 -17.592 -1.037 1.00 74.15 C ATOM 683 C ARG A 43 -2.528 -18.342 0.197 1.00 1.21 C ATOM 684 O ARG A 43 -3.323 -18.868 0.976 1.00 5.02 O ATOM 685 CB ARG A 43 -3.120 -18.553 -2.225 1.00 3.11 C ATOM 686 CG ARG A 43 -4.548 -18.854 -2.647 1.00 51.21 C ATOM 687 CD ARG A 43 -4.650 -19.069 -4.149 1.00 43.54 C ATOM 688 NE ARG A 43 -6.018 -18.898 -4.634 1.00 52.41 N ATOM 689 CZ ARG A 43 -7.000 -19.757 -4.383 1.00 24.20 C ATOM 690 NH1 ARG A 43 -6.768 -20.841 -3.656 1.00 21.14 N1+ ATOM 691 NH2 ARG A 43 -8.218 -19.531 -4.860 1.00 13.04 N ATOM 0 H ARG A 43 -1.680 -16.552 -2.266 1.00 33.54 H new ATOM 0 HA ARG A 43 -4.011 -17.186 -0.824 1.00 74.15 H new ATOM 0 HB2 ARG A 43 -2.582 -18.127 -3.072 1.00 3.11 H new ATOM 0 HB3 ARG A 43 -2.621 -19.487 -1.968 1.00 3.11 H new ATOM 0 HG2 ARG A 43 -4.903 -19.743 -2.126 1.00 51.21 H new ATOM 0 HG3 ARG A 43 -5.198 -18.030 -2.351 1.00 51.21 H new ATOM 0 HD2 ARG A 43 -3.993 -18.366 -4.661 1.00 43.54 H new ATOM 0 HD3 ARG A 43 -4.300 -20.071 -4.397 1.00 43.54 H new ATOM 0 HE ARG A 43 -6.231 -18.074 -5.196 1.00 52.41 H new ATOM 0 HH11 ARG A 43 -5.833 -21.018 -3.288 1.00 21.14 H new ATOM 0 HH12 ARG A 43 -7.524 -21.498 -3.465 1.00 21.14 H new ATOM 0 HH21 ARG A 43 -8.400 -18.698 -5.419 1.00 13.04 H new ATOM 0 HH22 ARG A 43 -8.972 -20.191 -4.667 1.00 13.04 H new ATOM 705 N PHE A 44 -1.212 -18.387 0.368 1.00 12.12 N ATOM 706 CA PHE A 44 -0.611 -19.073 1.507 1.00 24.44 C ATOM 707 C PHE A 44 -0.308 -18.092 2.635 1.00 3.15 C ATOM 708 O PHE A 44 0.609 -18.304 3.428 1.00 54.33 O ATOM 709 CB PHE A 44 0.672 -19.788 1.079 1.00 13.22 C ATOM 710 CG PHE A 44 0.466 -20.773 -0.036 1.00 13.42 C ATOM 711 CD1 PHE A 44 -0.529 -21.734 0.045 1.00 24.21 C ATOM 712 CD2 PHE A 44 1.267 -20.738 -1.166 1.00 4.25 C ATOM 713 CE1 PHE A 44 -0.721 -22.641 -0.980 1.00 31.24 C ATOM 714 CE2 PHE A 44 1.081 -21.642 -2.193 1.00 75.35 C ATOM 715 CZ PHE A 44 0.085 -22.594 -2.101 1.00 54.33 C ATOM 0 H PHE A 44 -0.540 -17.957 -0.267 1.00 12.12 H new ATOM 0 HA PHE A 44 -1.325 -19.811 1.873 1.00 24.44 H new ATOM 0 HB2 PHE A 44 1.405 -19.045 0.766 1.00 13.22 H new ATOM 0 HB3 PHE A 44 1.093 -20.308 1.939 1.00 13.22 H new ATOM 0 HD1 PHE A 44 -1.162 -21.775 0.919 1.00 24.21 H new ATOM 0 HD2 PHE A 44 2.046 -19.995 -1.244 1.00 4.25 H new ATOM 0 HE1 PHE A 44 -1.500 -23.385 -0.905 1.00 31.24 H new ATOM 0 HE2 PHE A 44 1.714 -21.605 -3.067 1.00 75.35 H new ATOM 0 HZ PHE A 44 -0.064 -23.301 -2.904 1.00 54.33 H new ATOM 725 N ALA A 45 -1.085 -17.015 2.699 1.00 50.40 N ATOM 726 CA ALA A 45 -0.901 -16.001 3.731 1.00 14.22 C ATOM 727 C ALA A 45 0.454 -15.317 3.591 1.00 3.05 C ATOM 728 O ALA A 45 0.994 -14.784 4.561 1.00 14.11 O ATOM 729 CB ALA A 45 -1.041 -16.623 5.113 1.00 25.32 C ATOM 0 H ALA A 45 -1.847 -16.822 2.049 1.00 50.40 H new ATOM 0 HA ALA A 45 -1.676 -15.244 3.606 1.00 14.22 H new ATOM 0 HB1 ALA A 45 -0.901 -15.855 5.874 1.00 25.32 H new ATOM 0 HB2 ALA A 45 -2.034 -17.060 5.217 1.00 25.32 H new ATOM 0 HB3 ALA A 45 -0.288 -17.401 5.240 1.00 25.32 H new ATOM 735 N VAL A 46 1.000 -15.333 2.380 1.00 74.25 N ATOM 736 CA VAL A 46 2.292 -14.714 2.113 1.00 22.25 C ATOM 737 C VAL A 46 2.161 -13.584 1.099 1.00 30.24 C ATOM 738 O VAL A 46 1.822 -13.813 -0.061 1.00 75.41 O ATOM 739 CB VAL A 46 3.311 -15.743 1.590 1.00 53.21 C ATOM 740 CG1 VAL A 46 4.641 -15.070 1.282 1.00 41.43 C ATOM 741 CG2 VAL A 46 3.495 -16.870 2.595 1.00 44.23 C ATOM 0 H VAL A 46 0.566 -15.769 1.566 1.00 74.25 H new ATOM 0 HA VAL A 46 2.650 -14.309 3.060 1.00 22.25 H new ATOM 0 HB VAL A 46 2.925 -16.171 0.665 1.00 53.21 H new ATOM 0 HG11 VAL A 46 5.348 -15.813 0.914 1.00 41.43 H new ATOM 0 HG12 VAL A 46 4.493 -14.302 0.523 1.00 41.43 H new ATOM 0 HG13 VAL A 46 5.036 -14.612 2.189 1.00 41.43 H new ATOM 0 HG21 VAL A 46 4.219 -17.588 2.208 1.00 44.23 H new ATOM 0 HG22 VAL A 46 3.858 -16.461 3.538 1.00 44.23 H new ATOM 0 HG23 VAL A 46 2.541 -17.370 2.760 1.00 44.23 H new ATOM 751 N ASN A 47 2.432 -12.361 1.544 1.00 22.23 N ATOM 752 CA ASN A 47 2.344 -11.193 0.674 1.00 12.54 C ATOM 753 C ASN A 47 3.300 -11.323 -0.507 1.00 30.41 C ATOM 754 O ASN A 47 4.407 -11.848 -0.388 1.00 11.20 O ATOM 755 CB ASN A 47 2.659 -9.921 1.463 1.00 21.41 C ATOM 756 CG ASN A 47 4.139 -9.773 1.756 1.00 33.25 C ATOM 757 OD1 ASN A 47 4.932 -9.460 0.867 1.00 74.04 O ATOM 758 ND2 ASN A 47 4.520 -9.998 3.008 1.00 11.34 N ATOM 0 H ASN A 47 2.714 -12.153 2.502 1.00 22.23 H new ATOM 0 HA ASN A 47 1.326 -11.131 0.289 1.00 12.54 H new ATOM 0 HB2 ASN A 47 2.314 -9.053 0.900 1.00 21.41 H new ATOM 0 HB3 ASN A 47 2.105 -9.933 2.402 1.00 21.41 H new ATOM 0 HD21 ASN A 47 5.504 -9.914 3.265 1.00 11.34 H new ATOM 0 HD22 ASN A 47 3.829 -10.255 3.713 1.00 11.34 H new ATOM 765 N PRO A 48 2.864 -10.832 -1.677 1.00 40.04 N ATOM 766 CA PRO A 48 3.666 -10.880 -2.903 1.00 24.20 C ATOM 767 C PRO A 48 4.868 -9.943 -2.847 1.00 10.34 C ATOM 768 O PRO A 48 5.802 -10.068 -3.638 1.00 14.20 O ATOM 769 CB PRO A 48 2.684 -10.424 -3.986 1.00 34.31 C ATOM 770 CG PRO A 48 1.683 -9.590 -3.264 1.00 52.33 C ATOM 771 CD PRO A 48 1.555 -10.192 -1.892 1.00 21.14 C ATOM 0 HA PRO A 48 4.086 -11.871 -3.077 1.00 24.20 H new ATOM 0 HB2 PRO A 48 3.190 -9.851 -4.763 1.00 34.31 H new ATOM 0 HB3 PRO A 48 2.211 -11.275 -4.475 1.00 34.31 H new ATOM 0 HG2 PRO A 48 2.009 -8.552 -3.206 1.00 52.33 H new ATOM 0 HG3 PRO A 48 0.724 -9.594 -3.783 1.00 52.33 H new ATOM 0 HD2 PRO A 48 1.350 -9.433 -1.137 1.00 21.14 H new ATOM 0 HD3 PRO A 48 0.741 -10.916 -1.845 1.00 21.14 H new ATOM 779 N GLY A 49 4.838 -9.005 -1.905 1.00 34.11 N ATOM 780 CA GLY A 49 5.931 -8.061 -1.763 1.00 13.21 C ATOM 781 C GLY A 49 7.238 -8.739 -1.403 1.00 55.31 C ATOM 782 O GLY A 49 8.317 -8.232 -1.716 1.00 24.33 O ATOM 0 H GLY A 49 4.076 -8.882 -1.238 1.00 34.11 H new ATOM 0 HA2 GLY A 49 6.055 -7.511 -2.696 1.00 13.21 H new ATOM 0 HA3 GLY A 49 5.679 -7.331 -0.993 1.00 13.21 H new ATOM 786 N LEU A 50 7.145 -9.888 -0.743 1.00 1.15 N ATOM 787 CA LEU A 50 8.331 -10.636 -0.337 1.00 41.04 C ATOM 788 C LEU A 50 9.211 -10.954 -1.541 1.00 55.05 C ATOM 789 O LEU A 50 10.423 -11.133 -1.408 1.00 21.02 O ATOM 790 CB LEU A 50 7.924 -11.931 0.368 1.00 2.10 C ATOM 791 CG LEU A 50 7.183 -11.768 1.696 1.00 31.13 C ATOM 792 CD1 LEU A 50 6.947 -13.123 2.345 1.00 40.12 C ATOM 793 CD2 LEU A 50 7.961 -10.855 2.631 1.00 24.15 C ATOM 0 H LEU A 50 6.261 -10.322 -0.477 1.00 1.15 H new ATOM 0 HA LEU A 50 8.903 -10.017 0.355 1.00 41.04 H new ATOM 0 HB2 LEU A 50 7.293 -12.507 -0.309 1.00 2.10 H new ATOM 0 HB3 LEU A 50 8.822 -12.522 0.546 1.00 2.10 H new ATOM 0 HG LEU A 50 6.214 -11.310 1.496 1.00 31.13 H new ATOM 0 HD11 LEU A 50 6.419 -12.987 3.289 1.00 40.12 H new ATOM 0 HD12 LEU A 50 6.348 -13.746 1.680 1.00 40.12 H new ATOM 0 HD13 LEU A 50 7.905 -13.609 2.532 1.00 40.12 H new ATOM 0 HD21 LEU A 50 7.419 -10.750 3.571 1.00 24.15 H new ATOM 0 HD22 LEU A 50 8.944 -11.285 2.825 1.00 24.15 H new ATOM 0 HD23 LEU A 50 8.078 -9.875 2.168 1.00 24.15 H new ATOM 805 N LEU A 51 8.596 -11.022 -2.716 1.00 72.34 N ATOM 806 CA LEU A 51 9.324 -11.316 -3.946 1.00 2.12 C ATOM 807 C LEU A 51 10.126 -10.103 -4.408 1.00 50.21 C ATOM 808 O LEU A 51 11.143 -10.242 -5.085 1.00 63.31 O ATOM 809 CB LEU A 51 8.353 -11.749 -5.046 1.00 14.04 C ATOM 810 CG LEU A 51 7.784 -13.163 -4.920 1.00 43.15 C ATOM 811 CD1 LEU A 51 6.719 -13.405 -5.979 1.00 34.02 C ATOM 812 CD2 LEU A 51 8.894 -14.197 -5.030 1.00 53.44 C ATOM 0 H LEU A 51 7.594 -10.878 -2.844 1.00 72.34 H new ATOM 0 HA LEU A 51 10.018 -12.131 -3.742 1.00 2.12 H new ATOM 0 HB2 LEU A 51 7.521 -11.045 -5.067 1.00 14.04 H new ATOM 0 HB3 LEU A 51 8.863 -11.668 -6.006 1.00 14.04 H new ATOM 0 HG LEU A 51 7.320 -13.262 -3.938 1.00 43.15 H new ATOM 0 HD11 LEU A 51 6.325 -14.416 -5.875 1.00 34.02 H new ATOM 0 HD12 LEU A 51 5.910 -12.685 -5.853 1.00 34.02 H new ATOM 0 HD13 LEU A 51 7.158 -13.287 -6.970 1.00 34.02 H new ATOM 0 HD21 LEU A 51 8.470 -15.197 -4.938 1.00 53.44 H new ATOM 0 HD22 LEU A 51 9.387 -14.100 -5.997 1.00 53.44 H new ATOM 0 HD23 LEU A 51 9.621 -14.036 -4.234 1.00 53.44 H new ATOM 824 N GLU A 52 9.660 -8.915 -4.034 1.00 12.53 N ATOM 825 CA GLU A 52 10.335 -7.678 -4.409 1.00 55.04 C ATOM 826 C GLU A 52 11.580 -7.458 -3.556 1.00 4.24 C ATOM 827 O GLU A 52 12.347 -6.522 -3.784 1.00 2.12 O ATOM 828 CB GLU A 52 9.384 -6.489 -4.263 1.00 21.55 C ATOM 829 CG GLU A 52 9.944 -5.191 -4.821 1.00 23.31 C ATOM 830 CD GLU A 52 8.893 -4.105 -4.939 1.00 63.14 C ATOM 831 OE1 GLU A 52 7.783 -4.405 -5.428 1.00 72.11 O ATOM 832 OE2 GLU A 52 9.178 -2.956 -4.544 1.00 3.24 O1- ATOM 0 H GLU A 52 8.819 -8.783 -3.472 1.00 12.53 H new ATOM 0 HA GLU A 52 10.642 -7.762 -5.452 1.00 55.04 H new ATOM 0 HB2 GLU A 52 8.447 -6.719 -4.771 1.00 21.55 H new ATOM 0 HB3 GLU A 52 9.149 -6.350 -3.208 1.00 21.55 H new ATOM 0 HG2 GLU A 52 10.751 -4.842 -4.177 1.00 23.31 H new ATOM 0 HG3 GLU A 52 10.378 -5.379 -5.803 1.00 23.31 H new ATOM 839 N THR A 53 11.776 -8.326 -2.568 1.00 63.13 N ATOM 840 CA THR A 53 12.925 -8.226 -1.677 1.00 74.23 C ATOM 841 C THR A 53 13.693 -9.542 -1.622 1.00 2.23 C ATOM 842 O THR A 53 13.108 -10.605 -1.410 1.00 31.24 O ATOM 843 CB THR A 53 12.498 -7.832 -0.251 1.00 73.13 C ATOM 844 OG1 THR A 53 11.857 -8.940 0.391 1.00 1.44 O ATOM 845 CG2 THR A 53 11.555 -6.640 -0.278 1.00 3.14 C ATOM 0 H THR A 53 11.152 -9.107 -2.365 1.00 63.13 H new ATOM 0 HA THR A 53 13.572 -7.448 -2.081 1.00 74.23 H new ATOM 0 HB THR A 53 13.391 -7.555 0.309 1.00 73.13 H new ATOM 0 HG1 THR A 53 11.602 -9.605 -0.282 1.00 1.44 H new ATOM 0 HG21 THR A 53 11.267 -6.380 0.741 1.00 3.14 H new ATOM 0 HG22 THR A 53 12.056 -5.790 -0.741 1.00 3.14 H new ATOM 0 HG23 THR A 53 10.664 -6.894 -0.853 1.00 3.14 H new ATOM 853 N SER A 54 15.006 -9.463 -1.811 1.00 75.01 N ATOM 854 CA SER A 54 15.854 -10.650 -1.786 1.00 2.03 C ATOM 855 C SER A 54 15.680 -11.413 -0.476 1.00 53.11 C ATOM 856 O SER A 54 15.890 -12.624 -0.420 1.00 11.21 O ATOM 857 CB SER A 54 17.322 -10.257 -1.969 1.00 43.14 C ATOM 858 OG SER A 54 18.010 -10.267 -0.731 1.00 15.04 O ATOM 0 H SER A 54 15.506 -8.591 -1.983 1.00 75.01 H new ATOM 0 HA SER A 54 15.554 -11.300 -2.608 1.00 2.03 H new ATOM 0 HB2 SER A 54 17.803 -10.948 -2.662 1.00 43.14 H new ATOM 0 HB3 SER A 54 17.383 -9.264 -2.415 1.00 43.14 H new ATOM 0 HG SER A 54 18.946 -10.014 -0.875 1.00 15.04 H new ATOM 864 N GLU A 55 15.295 -10.695 0.574 1.00 35.42 N ATOM 865 CA GLU A 55 15.093 -11.304 1.883 1.00 34.05 C ATOM 866 C GLU A 55 13.780 -12.080 1.926 1.00 61.42 C ATOM 867 O GLU A 55 13.727 -13.204 2.422 1.00 43.32 O ATOM 868 CB GLU A 55 15.102 -10.233 2.976 1.00 71.44 C ATOM 869 CG GLU A 55 16.496 -9.854 3.446 1.00 1.43 C ATOM 870 CD GLU A 55 16.765 -8.366 3.336 1.00 2.14 C ATOM 871 OE1 GLU A 55 16.958 -7.881 2.201 1.00 30.02 O ATOM 872 OE2 GLU A 55 16.782 -7.687 4.383 1.00 11.54 O1- ATOM 0 H GLU A 55 15.117 -9.691 0.544 1.00 35.42 H new ATOM 0 HA GLU A 55 15.912 -12.001 2.061 1.00 34.05 H new ATOM 0 HB2 GLU A 55 14.599 -9.341 2.603 1.00 71.44 H new ATOM 0 HB3 GLU A 55 14.525 -10.591 3.829 1.00 71.44 H new ATOM 0 HG2 GLU A 55 16.623 -10.167 4.482 1.00 1.43 H new ATOM 0 HG3 GLU A 55 17.234 -10.397 2.856 1.00 1.43 H new ATOM 879 N GLY A 56 12.722 -11.469 1.401 1.00 41.32 N ATOM 880 CA GLY A 56 11.423 -12.115 1.390 1.00 41.03 C ATOM 881 C GLY A 56 11.453 -13.466 0.703 1.00 71.32 C ATOM 882 O GLY A 56 10.844 -14.426 1.178 1.00 72.40 O ATOM 0 H GLY A 56 12.742 -10.539 0.983 1.00 41.32 H new ATOM 0 HA2 GLY A 56 11.074 -12.240 2.415 1.00 41.03 H new ATOM 0 HA3 GLY A 56 10.704 -11.470 0.885 1.00 41.03 H new ATOM 886 N CYS A 57 12.160 -13.541 -0.419 1.00 22.12 N ATOM 887 CA CYS A 57 12.265 -14.784 -1.175 1.00 12.01 C ATOM 888 C CYS A 57 12.767 -15.919 -0.288 1.00 32.01 C ATOM 889 O CYS A 57 12.187 -17.005 -0.265 1.00 25.23 O ATOM 890 CB CYS A 57 13.203 -14.601 -2.370 1.00 1.42 C ATOM 891 SG CYS A 57 12.360 -14.164 -3.908 1.00 35.54 S ATOM 0 H CYS A 57 12.669 -12.756 -0.825 1.00 22.12 H new ATOM 0 HA CYS A 57 11.271 -15.044 -1.539 1.00 12.01 H new ATOM 0 HB2 CYS A 57 13.929 -13.824 -2.133 1.00 1.42 H new ATOM 0 HB3 CYS A 57 13.762 -15.524 -2.524 1.00 1.42 H new ATOM 0 HG CYS A 57 13.236 -14.029 -4.859 1.00 35.54 H new ATOM 897 N ARG A 58 13.849 -15.661 0.439 1.00 30.45 N ATOM 898 CA ARG A 58 14.431 -16.662 1.324 1.00 11.43 C ATOM 899 C ARG A 58 13.376 -17.233 2.267 1.00 74.52 C ATOM 900 O ARG A 58 13.344 -18.437 2.520 1.00 41.33 O ATOM 901 CB ARG A 58 15.577 -16.052 2.134 1.00 4.40 C ATOM 902 CG ARG A 58 16.702 -17.031 2.430 1.00 51.12 C ATOM 903 CD ARG A 58 16.987 -17.118 3.921 1.00 4.42 C ATOM 904 NE ARG A 58 18.368 -17.509 4.192 1.00 43.13 N ATOM 905 CZ ARG A 58 18.847 -18.725 3.957 1.00 31.14 C ATOM 906 NH1 ARG A 58 18.062 -19.664 3.449 1.00 44.23 N1+ ATOM 907 NH2 ARG A 58 20.116 -19.004 4.231 1.00 52.14 N ATOM 0 H ARG A 58 14.340 -14.767 0.432 1.00 30.45 H new ATOM 0 HA ARG A 58 14.821 -17.473 0.708 1.00 11.43 H new ATOM 0 HB2 ARG A 58 15.982 -15.200 1.589 1.00 4.40 H new ATOM 0 HB3 ARG A 58 15.182 -15.670 3.075 1.00 4.40 H new ATOM 0 HG2 ARG A 58 16.436 -18.018 2.051 1.00 51.12 H new ATOM 0 HG3 ARG A 58 17.604 -16.720 1.904 1.00 51.12 H new ATOM 0 HD2 ARG A 58 16.786 -16.153 4.386 1.00 4.42 H new ATOM 0 HD3 ARG A 58 16.310 -17.839 4.378 1.00 4.42 H new ATOM 0 HE ARG A 58 18.999 -16.810 4.583 1.00 43.13 H new ATOM 0 HH11 ARG A 58 17.087 -19.454 3.237 1.00 44.23 H new ATOM 0 HH12 ARG A 58 18.433 -20.597 3.270 1.00 44.23 H new ATOM 0 HH21 ARG A 58 20.723 -18.284 4.622 1.00 52.14 H new ATOM 0 HH22 ARG A 58 20.483 -19.938 4.050 1.00 52.14 H new ATOM 921 N GLN A 59 12.516 -16.361 2.783 1.00 62.54 N ATOM 922 CA GLN A 59 11.460 -16.779 3.697 1.00 62.12 C ATOM 923 C GLN A 59 10.450 -17.676 2.989 1.00 1.52 C ATOM 924 O GLN A 59 9.944 -18.636 3.572 1.00 74.54 O ATOM 925 CB GLN A 59 10.752 -15.557 4.284 1.00 64.12 C ATOM 926 CG GLN A 59 11.670 -14.645 5.081 1.00 73.25 C ATOM 927 CD GLN A 59 11.661 -14.959 6.563 1.00 1.33 C ATOM 928 OE1 GLN A 59 12.575 -15.603 7.079 1.00 14.20 O ATOM 929 NE2 GLN A 59 10.626 -14.504 7.260 1.00 71.00 N ATOM 0 H GLN A 59 12.530 -15.361 2.584 1.00 62.54 H new ATOM 0 HA GLN A 59 11.918 -17.348 4.506 1.00 62.12 H new ATOM 0 HB2 GLN A 59 10.300 -14.985 3.473 1.00 64.12 H new ATOM 0 HB3 GLN A 59 9.939 -15.893 4.928 1.00 64.12 H new ATOM 0 HG2 GLN A 59 12.687 -14.737 4.700 1.00 73.25 H new ATOM 0 HG3 GLN A 59 11.366 -13.609 4.931 1.00 73.25 H new ATOM 0 HE21 GLN A 59 9.890 -13.974 6.793 1.00 71.00 H new ATOM 0 HE22 GLN A 59 10.567 -14.684 8.262 1.00 71.00 H new ATOM 938 N ILE A 60 10.162 -17.358 1.733 1.00 63.45 N ATOM 939 CA ILE A 60 9.213 -18.135 0.945 1.00 43.42 C ATOM 940 C ILE A 60 9.781 -19.506 0.596 1.00 14.24 C ATOM 941 O ILE A 60 9.097 -20.524 0.715 1.00 63.02 O ATOM 942 CB ILE A 60 8.827 -17.406 -0.355 1.00 32.04 C ATOM 943 CG1 ILE A 60 8.258 -16.021 -0.038 1.00 75.43 C ATOM 944 CG2 ILE A 60 7.823 -18.230 -1.147 1.00 21.22 C ATOM 945 CD1 ILE A 60 8.168 -15.115 -1.247 1.00 31.31 C ATOM 0 H ILE A 60 10.572 -16.566 1.238 1.00 63.45 H new ATOM 0 HA ILE A 60 8.321 -18.259 1.560 1.00 43.42 H new ATOM 0 HB ILE A 60 9.722 -17.280 -0.964 1.00 32.04 H new ATOM 0 HG12 ILE A 60 7.264 -16.135 0.395 1.00 75.43 H new ATOM 0 HG13 ILE A 60 8.882 -15.544 0.718 1.00 75.43 H new ATOM 0 HG21 ILE A 60 7.560 -17.701 -2.063 1.00 21.22 H new ATOM 0 HG22 ILE A 60 8.262 -19.195 -1.399 1.00 21.22 H new ATOM 0 HG23 ILE A 60 6.926 -18.385 -0.547 1.00 21.22 H new ATOM 0 HD11 ILE A 60 7.756 -14.151 -0.949 1.00 31.31 H new ATOM 0 HD12 ILE A 60 9.163 -14.970 -1.668 1.00 31.31 H new ATOM 0 HD13 ILE A 60 7.520 -15.571 -1.996 1.00 31.31 H new ATOM 957 N LEU A 61 11.039 -19.527 0.168 1.00 74.22 N ATOM 958 CA LEU A 61 11.702 -20.774 -0.197 1.00 33.21 C ATOM 959 C LEU A 61 11.875 -21.676 1.021 1.00 31.21 C ATOM 960 O LEU A 61 11.923 -22.899 0.899 1.00 41.11 O ATOM 961 CB LEU A 61 13.065 -20.484 -0.828 1.00 33.11 C ATOM 962 CG LEU A 61 13.045 -19.688 -2.134 1.00 3.34 C ATOM 963 CD1 LEU A 61 14.294 -18.829 -2.255 1.00 2.32 C ATOM 964 CD2 LEU A 61 12.921 -20.624 -3.327 1.00 25.15 C ATOM 0 H LEU A 61 11.620 -18.695 0.065 1.00 74.22 H new ATOM 0 HA LEU A 61 11.075 -21.291 -0.923 1.00 33.21 H new ATOM 0 HB2 LEU A 61 13.670 -19.939 -0.103 1.00 33.11 H new ATOM 0 HB3 LEU A 61 13.567 -21.434 -1.012 1.00 33.11 H new ATOM 0 HG LEU A 61 12.176 -19.030 -2.123 1.00 3.34 H new ATOM 0 HD11 LEU A 61 14.262 -18.270 -3.190 1.00 2.32 H new ATOM 0 HD12 LEU A 61 14.339 -18.133 -1.418 1.00 2.32 H new ATOM 0 HD13 LEU A 61 15.177 -19.468 -2.244 1.00 2.32 H new ATOM 0 HD21 LEU A 61 12.908 -20.040 -4.248 1.00 25.15 H new ATOM 0 HD22 LEU A 61 13.770 -21.308 -3.343 1.00 25.15 H new ATOM 0 HD23 LEU A 61 11.996 -21.195 -3.247 1.00 25.15 H new ATOM 976 N GLY A 62 11.965 -21.062 2.198 1.00 21.21 N ATOM 977 CA GLY A 62 12.129 -21.825 3.422 1.00 60.33 C ATOM 978 C GLY A 62 10.923 -22.689 3.732 1.00 75.41 C ATOM 979 O GLY A 62 11.062 -23.787 4.270 1.00 10.42 O ATOM 0 H GLY A 62 11.927 -20.051 2.325 1.00 21.21 H new ATOM 0 HA2 GLY A 62 13.013 -22.457 3.337 1.00 60.33 H new ATOM 0 HA3 GLY A 62 12.305 -21.141 4.252 1.00 60.33 H new ATOM 983 N GLN A 63 9.738 -22.193 3.392 1.00 72.23 N ATOM 984 CA GLN A 63 8.503 -22.928 3.640 1.00 35.33 C ATOM 985 C GLN A 63 8.244 -23.946 2.534 1.00 42.22 C ATOM 986 O GLN A 63 7.610 -24.977 2.762 1.00 65.11 O ATOM 987 CB GLN A 63 7.323 -21.961 3.747 1.00 72.11 C ATOM 988 CG GLN A 63 7.070 -21.464 5.161 1.00 40.23 C ATOM 989 CD GLN A 63 5.593 -21.317 5.472 1.00 20.11 C ATOM 990 OE1 GLN A 63 4.880 -20.562 4.811 1.00 22.03 O ATOM 991 NE2 GLN A 63 5.126 -22.041 6.482 1.00 10.44 N ATOM 0 H GLN A 63 9.607 -21.286 2.944 1.00 72.23 H new ATOM 0 HA GLN A 63 8.611 -23.464 4.583 1.00 35.33 H new ATOM 0 HB2 GLN A 63 7.505 -21.105 3.097 1.00 72.11 H new ATOM 0 HB3 GLN A 63 6.424 -22.455 3.378 1.00 72.11 H new ATOM 0 HG2 GLN A 63 7.520 -22.157 5.872 1.00 40.23 H new ATOM 0 HG3 GLN A 63 7.564 -20.502 5.298 1.00 40.23 H new ATOM 0 HE21 GLN A 63 5.753 -22.654 7.003 1.00 10.44 H new ATOM 0 HE22 GLN A 63 4.140 -21.984 6.737 1.00 10.44 H new ATOM 1000 N LEU A 64 8.738 -23.650 1.337 1.00 1.21 N ATOM 1001 CA LEU A 64 8.560 -24.540 0.195 1.00 32.01 C ATOM 1002 C LEU A 64 9.601 -25.655 0.206 1.00 61.10 C ATOM 1003 O LEU A 64 9.371 -26.736 -0.336 1.00 33.11 O ATOM 1004 CB LEU A 64 8.655 -23.750 -1.111 1.00 61.23 C ATOM 1005 CG LEU A 64 7.536 -22.741 -1.369 1.00 21.21 C ATOM 1006 CD1 LEU A 64 7.807 -21.956 -2.643 1.00 73.21 C ATOM 1007 CD2 LEU A 64 6.190 -23.446 -1.450 1.00 1.00 C ATOM 0 H LEU A 64 9.265 -22.801 1.132 1.00 1.21 H new ATOM 0 HA LEU A 64 7.571 -24.992 0.268 1.00 32.01 H new ATOM 0 HB2 LEU A 64 9.606 -23.218 -1.122 1.00 61.23 H new ATOM 0 HB3 LEU A 64 8.677 -24.458 -1.940 1.00 61.23 H new ATOM 0 HG LEU A 64 7.506 -22.040 -0.535 1.00 21.21 H new ATOM 0 HD11 LEU A 64 7.000 -21.243 -2.810 1.00 73.21 H new ATOM 0 HD12 LEU A 64 8.751 -21.419 -2.546 1.00 73.21 H new ATOM 0 HD13 LEU A 64 7.865 -22.642 -3.488 1.00 73.21 H new ATOM 0 HD21 LEU A 64 5.405 -22.712 -1.634 1.00 1.00 H new ATOM 0 HD22 LEU A 64 6.207 -24.171 -2.264 1.00 1.00 H new ATOM 0 HD23 LEU A 64 5.992 -23.961 -0.510 1.00 1.00 H new ATOM 1019 N GLN A 65 10.744 -25.385 0.827 1.00 52.20 N ATOM 1020 CA GLN A 65 11.819 -26.366 0.910 1.00 71.52 C ATOM 1021 C GLN A 65 11.302 -27.695 1.449 1.00 12.42 C ATOM 1022 O GLN A 65 11.353 -28.727 0.780 1.00 15.11 O ATOM 1023 CB GLN A 65 12.948 -25.844 1.800 1.00 53.52 C ATOM 1024 CG GLN A 65 14.183 -25.412 1.026 1.00 3.11 C ATOM 1025 CD GLN A 65 15.418 -25.326 1.900 1.00 10.31 C ATOM 1026 OE1 GLN A 65 16.019 -26.343 2.247 1.00 51.45 O ATOM 1027 NE2 GLN A 65 15.805 -24.108 2.261 1.00 40.40 N ATOM 0 H GLN A 65 10.950 -24.495 1.280 1.00 52.20 H new ATOM 0 HA GLN A 65 12.206 -26.529 -0.096 1.00 71.52 H new ATOM 0 HB2 GLN A 65 12.580 -24.999 2.381 1.00 53.52 H new ATOM 0 HB3 GLN A 65 13.228 -26.622 2.511 1.00 53.52 H new ATOM 0 HG2 GLN A 65 14.365 -26.118 0.215 1.00 3.11 H new ATOM 0 HG3 GLN A 65 13.999 -24.440 0.567 1.00 3.11 H new ATOM 0 HE21 GLN A 65 15.277 -23.292 1.951 1.00 40.40 H new ATOM 0 HE22 GLN A 65 16.630 -23.988 2.849 1.00 40.40 H new ATOM 1036 N PRO A 66 10.793 -27.673 2.690 1.00 13.31 N ATOM 1037 CA PRO A 66 10.257 -28.869 3.348 1.00 33.23 C ATOM 1038 C PRO A 66 8.952 -29.342 2.715 1.00 55.50 C ATOM 1039 O PRO A 66 8.527 -30.478 2.925 1.00 73.44 O ATOM 1040 CB PRO A 66 10.017 -28.404 4.787 1.00 63.44 C ATOM 1041 CG PRO A 66 9.825 -26.931 4.682 1.00 23.13 C ATOM 1042 CD PRO A 66 10.701 -26.479 3.547 1.00 31.42 C ATOM 0 HA PRO A 66 10.936 -29.718 3.268 1.00 33.23 H new ATOM 0 HB2 PRO A 66 9.141 -28.888 5.218 1.00 63.44 H new ATOM 0 HB3 PRO A 66 10.864 -28.648 5.428 1.00 63.44 H new ATOM 0 HG2 PRO A 66 8.780 -26.686 4.490 1.00 23.13 H new ATOM 0 HG3 PRO A 66 10.103 -26.434 5.611 1.00 23.13 H new ATOM 0 HD2 PRO A 66 10.264 -25.635 3.014 1.00 31.42 H new ATOM 0 HD3 PRO A 66 11.682 -26.161 3.899 1.00 31.42 H new ATOM 1050 N SER A 67 8.322 -28.465 1.942 1.00 21.23 N ATOM 1051 CA SER A 67 7.065 -28.792 1.282 1.00 50.15 C ATOM 1052 C SER A 67 7.314 -29.551 -0.018 1.00 32.51 C ATOM 1053 O SER A 67 6.470 -30.325 -0.472 1.00 33.44 O ATOM 1054 CB SER A 67 6.266 -27.519 0.997 1.00 23.52 C ATOM 1055 OG SER A 67 5.902 -26.866 2.201 1.00 23.43 O ATOM 0 H SER A 67 8.662 -27.521 1.757 1.00 21.23 H new ATOM 0 HA SER A 67 6.489 -29.431 1.951 1.00 50.15 H new ATOM 0 HB2 SER A 67 6.858 -26.845 0.378 1.00 23.52 H new ATOM 0 HB3 SER A 67 5.370 -27.768 0.429 1.00 23.52 H new ATOM 0 HG SER A 67 6.616 -26.250 2.468 1.00 23.43 H new ATOM 1061 N LEU A 68 8.480 -29.322 -0.614 1.00 42.34 N ATOM 1062 CA LEU A 68 8.844 -29.984 -1.862 1.00 61.22 C ATOM 1063 C LEU A 68 8.671 -31.495 -1.749 1.00 23.42 C ATOM 1064 O LEU A 68 8.376 -32.170 -2.735 1.00 1.01 O ATOM 1065 CB LEU A 68 10.289 -29.650 -2.237 1.00 51.34 C ATOM 1066 CG LEU A 68 10.524 -28.266 -2.842 1.00 61.13 C ATOM 1067 CD1 LEU A 68 11.858 -27.700 -2.379 1.00 61.05 C ATOM 1068 CD2 LEU A 68 10.469 -28.333 -4.361 1.00 22.21 C ATOM 0 H LEU A 68 9.189 -28.683 -0.253 1.00 42.34 H new ATOM 0 HA LEU A 68 8.179 -29.620 -2.645 1.00 61.22 H new ATOM 0 HB2 LEU A 68 10.906 -29.743 -1.343 1.00 51.34 H new ATOM 0 HB3 LEU A 68 10.641 -30.399 -2.946 1.00 51.34 H new ATOM 0 HG LEU A 68 9.732 -27.601 -2.498 1.00 61.13 H new ATOM 0 HD11 LEU A 68 12.008 -26.714 -2.820 1.00 61.05 H new ATOM 0 HD12 LEU A 68 11.860 -27.615 -1.292 1.00 61.05 H new ATOM 0 HD13 LEU A 68 12.664 -28.364 -2.693 1.00 61.05 H new ATOM 0 HD21 LEU A 68 10.638 -27.339 -4.775 1.00 22.21 H new ATOM 0 HD22 LEU A 68 11.240 -29.013 -4.723 1.00 22.21 H new ATOM 0 HD23 LEU A 68 9.490 -28.695 -4.674 1.00 22.21 H new ATOM 1080 N GLN A 69 8.855 -32.017 -0.542 1.00 3.51 N ATOM 1081 CA GLN A 69 8.718 -33.449 -0.300 1.00 44.31 C ATOM 1082 C GLN A 69 7.355 -33.951 -0.765 1.00 45.41 C ATOM 1083 O GLN A 69 7.255 -34.978 -1.436 1.00 52.44 O ATOM 1084 CB GLN A 69 8.908 -33.757 1.187 1.00 64.12 C ATOM 1085 CG GLN A 69 9.853 -34.918 1.450 1.00 42.43 C ATOM 1086 CD GLN A 69 10.784 -34.660 2.619 1.00 70.25 C ATOM 1087 OE1 GLN A 69 10.504 -35.056 3.750 1.00 42.53 O ATOM 1088 NE2 GLN A 69 11.900 -33.992 2.350 1.00 42.41 N ATOM 0 H GLN A 69 9.099 -31.471 0.284 1.00 3.51 H new ATOM 0 HA GLN A 69 9.490 -33.964 -0.872 1.00 44.31 H new ATOM 0 HB2 GLN A 69 9.290 -32.868 1.688 1.00 64.12 H new ATOM 0 HB3 GLN A 69 7.938 -33.981 1.630 1.00 64.12 H new ATOM 0 HG2 GLN A 69 9.271 -35.818 1.646 1.00 42.43 H new ATOM 0 HG3 GLN A 69 10.445 -35.110 0.555 1.00 42.43 H new ATOM 0 HE21 GLN A 69 12.092 -33.682 1.397 1.00 42.41 H new ATOM 0 HE22 GLN A 69 12.565 -33.789 3.096 1.00 42.41 H new ATOM 1097 N THR A 70 6.304 -33.219 -0.402 1.00 73.42 N ATOM 1098 CA THR A 70 4.947 -33.591 -0.781 1.00 61.15 C ATOM 1099 C THR A 70 4.235 -32.438 -1.479 1.00 33.43 C ATOM 1100 O THR A 70 3.072 -32.153 -1.201 1.00 3.45 O ATOM 1101 CB THR A 70 4.120 -34.022 0.445 1.00 40.41 C ATOM 1102 OG1 THR A 70 4.125 -32.981 1.429 1.00 41.35 O ATOM 1103 CG2 THR A 70 4.676 -35.302 1.051 1.00 34.22 C ATOM 0 H THR A 70 6.368 -32.366 0.154 1.00 73.42 H new ATOM 0 HA THR A 70 5.031 -34.433 -1.469 1.00 61.15 H new ATOM 0 HB THR A 70 3.097 -34.209 0.118 1.00 40.41 H new ATOM 0 HG1 THR A 70 3.596 -33.262 2.205 1.00 41.35 H new ATOM 0 HG21 THR A 70 4.075 -35.586 1.915 1.00 34.22 H new ATOM 0 HG22 THR A 70 4.644 -36.100 0.309 1.00 34.22 H new ATOM 0 HG23 THR A 70 5.707 -35.138 1.364 1.00 34.22 H new ATOM 1111 N GLY A 71 4.943 -31.777 -2.392 1.00 12.43 N ATOM 1112 CA GLY A 71 4.362 -30.663 -3.116 1.00 33.43 C ATOM 1113 C GLY A 71 3.797 -31.077 -4.461 1.00 40.11 C ATOM 1114 O GLY A 71 4.201 -32.094 -5.024 1.00 60.02 O ATOM 0 H GLY A 71 5.908 -31.994 -2.642 1.00 12.43 H new ATOM 0 HA2 GLY A 71 3.570 -30.216 -2.515 1.00 33.43 H new ATOM 0 HA3 GLY A 71 5.121 -29.895 -3.265 1.00 33.43 H new ATOM 1118 N SER A 72 2.860 -30.288 -4.976 1.00 24.52 N ATOM 1119 CA SER A 72 2.234 -30.582 -6.260 1.00 24.45 C ATOM 1120 C SER A 72 2.774 -29.660 -7.350 1.00 60.22 C ATOM 1121 O SER A 72 3.731 -28.917 -7.131 1.00 71.34 O ATOM 1122 CB SER A 72 0.715 -30.433 -6.157 1.00 13.50 C ATOM 1123 OG SER A 72 0.315 -29.097 -6.410 1.00 72.23 O ATOM 0 H SER A 72 2.517 -29.440 -4.524 1.00 24.52 H new ATOM 0 HA SER A 72 2.473 -31.612 -6.526 1.00 24.45 H new ATOM 0 HB2 SER A 72 0.232 -31.102 -6.869 1.00 13.50 H new ATOM 0 HB3 SER A 72 0.384 -30.733 -5.163 1.00 13.50 H new ATOM 0 HG SER A 72 -0.660 -29.029 -6.340 1.00 72.23 H new ATOM 1129 N GLU A 73 2.152 -29.715 -8.524 1.00 32.32 N ATOM 1130 CA GLU A 73 2.571 -28.886 -9.648 1.00 44.22 C ATOM 1131 C GLU A 73 2.652 -27.417 -9.241 1.00 40.23 C ATOM 1132 O GLU A 73 3.484 -26.667 -9.750 1.00 73.51 O ATOM 1133 CB GLU A 73 1.599 -29.049 -10.820 1.00 12.24 C ATOM 1134 CG GLU A 73 2.273 -28.992 -12.181 1.00 0.11 C ATOM 1135 CD GLU A 73 3.041 -30.258 -12.505 1.00 14.15 C ATOM 1136 OE1 GLU A 73 2.529 -31.356 -12.206 1.00 55.43 O1- ATOM 1137 OE2 GLU A 73 4.156 -30.149 -13.058 1.00 71.31 O ATOM 0 H GLU A 73 1.358 -30.324 -8.721 1.00 32.32 H new ATOM 0 HA GLU A 73 3.563 -29.214 -9.959 1.00 44.22 H new ATOM 0 HB2 GLU A 73 1.080 -30.002 -10.721 1.00 12.24 H new ATOM 0 HB3 GLU A 73 0.842 -28.266 -10.765 1.00 12.24 H new ATOM 0 HG2 GLU A 73 1.518 -28.823 -12.949 1.00 0.11 H new ATOM 0 HG3 GLU A 73 2.954 -28.141 -12.210 1.00 0.11 H new ATOM 1144 N GLU A 74 1.781 -27.015 -8.321 1.00 43.14 N ATOM 1145 CA GLU A 74 1.753 -25.636 -7.846 1.00 72.13 C ATOM 1146 C GLU A 74 2.976 -25.333 -6.986 1.00 13.34 C ATOM 1147 O GLU A 74 3.676 -24.345 -7.209 1.00 14.45 O ATOM 1148 CB GLU A 74 0.475 -25.374 -7.047 1.00 32.41 C ATOM 1149 CG GLU A 74 -0.669 -24.835 -7.889 1.00 24.43 C ATOM 1150 CD GLU A 74 -1.390 -25.923 -8.660 1.00 52.02 C ATOM 1151 OE1 GLU A 74 -0.922 -26.277 -9.763 1.00 11.33 O ATOM 1152 OE2 GLU A 74 -2.421 -26.421 -8.162 1.00 22.32 O1- ATOM 0 H GLU A 74 1.086 -27.624 -7.890 1.00 43.14 H new ATOM 0 HA GLU A 74 1.770 -24.978 -8.715 1.00 72.13 H new ATOM 0 HB2 GLU A 74 0.158 -26.301 -6.570 1.00 32.41 H new ATOM 0 HB3 GLU A 74 0.694 -24.664 -6.250 1.00 32.41 H new ATOM 0 HG2 GLU A 74 -1.380 -24.321 -7.242 1.00 24.43 H new ATOM 0 HG3 GLU A 74 -0.282 -24.094 -8.589 1.00 24.43 H new ATOM 1159 N LEU A 75 3.225 -26.188 -6.001 1.00 15.33 N ATOM 1160 CA LEU A 75 4.363 -26.013 -5.105 1.00 1.05 C ATOM 1161 C LEU A 75 5.679 -26.106 -5.871 1.00 53.52 C ATOM 1162 O LEU A 75 6.681 -25.504 -5.480 1.00 42.45 O ATOM 1163 CB LEU A 75 4.331 -27.065 -3.994 1.00 43.03 C ATOM 1164 CG LEU A 75 4.905 -26.634 -2.645 1.00 4.30 C ATOM 1165 CD1 LEU A 75 3.832 -26.680 -1.569 1.00 41.52 C ATOM 1166 CD2 LEU A 75 6.085 -27.515 -2.261 1.00 72.30 C ATOM 0 H LEU A 75 2.654 -27.010 -5.802 1.00 15.33 H new ATOM 0 HA LEU A 75 4.292 -25.021 -4.659 1.00 1.05 H new ATOM 0 HB2 LEU A 75 3.297 -27.374 -3.844 1.00 43.03 H new ATOM 0 HB3 LEU A 75 4.880 -27.942 -4.336 1.00 43.03 H new ATOM 0 HG LEU A 75 5.258 -25.607 -2.734 1.00 4.30 H new ATOM 0 HD11 LEU A 75 4.259 -26.370 -0.615 1.00 41.52 H new ATOM 0 HD12 LEU A 75 3.018 -26.007 -1.838 1.00 41.52 H new ATOM 0 HD13 LEU A 75 3.448 -27.696 -1.481 1.00 41.52 H new ATOM 0 HD21 LEU A 75 6.481 -27.193 -1.298 1.00 72.30 H new ATOM 0 HD22 LEU A 75 5.757 -28.552 -2.191 1.00 72.30 H new ATOM 0 HD23 LEU A 75 6.863 -27.431 -3.019 1.00 72.30 H new ATOM 1178 N ARG A 76 5.670 -26.862 -6.963 1.00 52.14 N ATOM 1179 CA ARG A 76 6.863 -27.033 -7.785 1.00 45.34 C ATOM 1180 C ARG A 76 7.142 -25.777 -8.606 1.00 3.45 C ATOM 1181 O ARG A 76 8.267 -25.277 -8.630 1.00 52.42 O ATOM 1182 CB ARG A 76 6.699 -28.236 -8.715 1.00 42.52 C ATOM 1183 CG ARG A 76 7.655 -29.378 -8.408 1.00 2.13 C ATOM 1184 CD ARG A 76 7.631 -30.434 -9.502 1.00 23.21 C ATOM 1185 NE ARG A 76 6.714 -31.527 -9.186 1.00 13.10 N ATOM 1186 CZ ARG A 76 6.531 -32.582 -9.972 1.00 32.32 C ATOM 1187 NH1 ARG A 76 7.198 -32.686 -11.114 1.00 0.12 N1+ ATOM 1188 NH2 ARG A 76 5.681 -33.536 -9.617 1.00 63.11 N ATOM 0 H ARG A 76 4.850 -27.366 -7.300 1.00 52.14 H new ATOM 0 HA ARG A 76 7.709 -27.208 -7.121 1.00 45.34 H new ATOM 0 HB2 ARG A 76 5.675 -28.602 -8.645 1.00 42.52 H new ATOM 0 HB3 ARG A 76 6.852 -27.912 -9.745 1.00 42.52 H new ATOM 0 HG2 ARG A 76 8.667 -28.988 -8.300 1.00 2.13 H new ATOM 0 HG3 ARG A 76 7.385 -29.833 -7.455 1.00 2.13 H new ATOM 0 HD2 ARG A 76 7.335 -29.973 -10.445 1.00 23.21 H new ATOM 0 HD3 ARG A 76 8.636 -30.833 -9.644 1.00 23.21 H new ATOM 0 HE ARG A 76 6.186 -31.477 -8.315 1.00 13.10 H new ATOM 0 HH11 ARG A 76 7.853 -31.955 -11.390 1.00 0.12 H new ATOM 0 HH12 ARG A 76 7.056 -33.497 -11.716 1.00 0.12 H new ATOM 0 HH21 ARG A 76 5.167 -33.460 -8.739 1.00 63.11 H new ATOM 0 HH22 ARG A 76 5.541 -34.346 -10.222 1.00 63.11 H new ATOM 1202 N SER A 77 6.111 -25.272 -9.275 1.00 73.34 N ATOM 1203 CA SER A 77 6.246 -24.078 -10.101 1.00 11.22 C ATOM 1204 C SER A 77 6.738 -22.896 -9.269 1.00 1.30 C ATOM 1205 O SER A 77 7.526 -22.075 -9.741 1.00 61.12 O ATOM 1206 CB SER A 77 4.909 -23.732 -10.758 1.00 32.52 C ATOM 1207 OG SER A 77 4.786 -24.359 -12.023 1.00 23.43 O ATOM 0 H SER A 77 5.172 -25.671 -9.261 1.00 73.34 H new ATOM 0 HA SER A 77 6.981 -24.285 -10.879 1.00 11.22 H new ATOM 0 HB2 SER A 77 4.090 -24.047 -10.111 1.00 32.52 H new ATOM 0 HB3 SER A 77 4.826 -22.651 -10.874 1.00 32.52 H new ATOM 0 HG SER A 77 3.922 -24.124 -12.422 1.00 23.43 H new ATOM 1213 N LEU A 78 6.267 -22.817 -8.029 1.00 55.11 N ATOM 1214 CA LEU A 78 6.658 -21.738 -7.130 1.00 62.52 C ATOM 1215 C LEU A 78 8.162 -21.757 -6.876 1.00 4.51 C ATOM 1216 O LEU A 78 8.858 -20.773 -7.127 1.00 60.34 O ATOM 1217 CB LEU A 78 5.904 -21.853 -5.804 1.00 52.21 C ATOM 1218 CG LEU A 78 4.740 -20.881 -5.608 1.00 63.02 C ATOM 1219 CD1 LEU A 78 5.219 -19.443 -5.724 1.00 74.40 C ATOM 1220 CD2 LEU A 78 3.635 -21.160 -6.617 1.00 12.11 C ATOM 0 H LEU A 78 5.614 -23.488 -7.624 1.00 55.11 H new ATOM 0 HA LEU A 78 6.401 -20.792 -7.606 1.00 62.52 H new ATOM 0 HB2 LEU A 78 5.522 -22.870 -5.713 1.00 52.21 H new ATOM 0 HB3 LEU A 78 6.615 -21.706 -4.991 1.00 52.21 H new ATOM 0 HG LEU A 78 4.335 -21.028 -4.607 1.00 63.02 H new ATOM 0 HD11 LEU A 78 4.376 -18.766 -5.582 1.00 74.40 H new ATOM 0 HD12 LEU A 78 5.974 -19.248 -4.962 1.00 74.40 H new ATOM 0 HD13 LEU A 78 5.651 -19.282 -6.712 1.00 74.40 H new ATOM 0 HD21 LEU A 78 2.815 -20.459 -6.462 1.00 12.11 H new ATOM 0 HD22 LEU A 78 4.027 -21.043 -7.627 1.00 12.11 H new ATOM 0 HD23 LEU A 78 3.271 -22.179 -6.485 1.00 12.11 H new ATOM 1232 N TYR A 79 8.658 -22.885 -6.377 1.00 65.13 N ATOM 1233 CA TYR A 79 10.078 -23.033 -6.089 1.00 34.35 C ATOM 1234 C TYR A 79 10.923 -22.668 -7.306 1.00 41.01 C ATOM 1235 O TYR A 79 12.050 -22.193 -7.174 1.00 20.20 O ATOM 1236 CB TYR A 79 10.385 -24.466 -5.652 1.00 55.15 C ATOM 1237 CG TYR A 79 11.490 -24.564 -4.625 1.00 13.42 C ATOM 1238 CD1 TYR A 79 11.357 -23.971 -3.375 1.00 62.43 C ATOM 1239 CD2 TYR A 79 12.667 -25.248 -4.903 1.00 61.25 C ATOM 1240 CE1 TYR A 79 12.364 -24.056 -2.433 1.00 75.01 C ATOM 1241 CE2 TYR A 79 13.679 -25.341 -3.967 1.00 25.41 C ATOM 1242 CZ TYR A 79 13.523 -24.743 -2.733 1.00 64.25 C ATOM 1243 OH TYR A 79 14.528 -24.831 -1.799 1.00 5.21 O ATOM 0 H TYR A 79 8.096 -23.709 -6.164 1.00 65.13 H new ATOM 0 HA TYR A 79 10.330 -22.351 -5.277 1.00 34.35 H new ATOM 0 HB2 TYR A 79 9.479 -24.914 -5.242 1.00 55.15 H new ATOM 0 HB3 TYR A 79 10.662 -25.052 -6.528 1.00 55.15 H new ATOM 0 HD1 TYR A 79 10.451 -23.434 -3.136 1.00 62.43 H new ATOM 0 HD2 TYR A 79 12.793 -25.716 -5.868 1.00 61.25 H new ATOM 0 HE1 TYR A 79 12.245 -23.588 -1.467 1.00 75.01 H new ATOM 0 HE2 TYR A 79 14.587 -25.878 -4.200 1.00 25.41 H new ATOM 0 HH TYR A 79 15.273 -25.349 -2.168 1.00 5.21 H new ATOM 1253 N ASN A 80 10.367 -22.894 -8.492 1.00 14.15 N ATOM 1254 CA ASN A 80 11.068 -22.590 -9.735 1.00 44.44 C ATOM 1255 C ASN A 80 11.171 -21.083 -9.947 1.00 45.00 C ATOM 1256 O ASN A 80 12.267 -20.530 -10.038 1.00 45.23 O ATOM 1257 CB ASN A 80 10.349 -23.236 -10.921 1.00 23.42 C ATOM 1258 CG ASN A 80 10.866 -24.629 -11.223 1.00 5.12 C ATOM 1259 OD1 ASN A 80 11.335 -25.335 -10.330 1.00 70.11 O ATOM 1260 ND2 ASN A 80 10.782 -25.030 -12.486 1.00 30.35 N ATOM 0 H ASN A 80 9.434 -23.286 -8.619 1.00 14.15 H new ATOM 0 HA ASN A 80 12.076 -22.998 -9.664 1.00 44.44 H new ATOM 0 HB2 ASN A 80 9.281 -23.286 -10.711 1.00 23.42 H new ATOM 0 HB3 ASN A 80 10.472 -22.607 -11.803 1.00 23.42 H new ATOM 0 HD21 ASN A 80 11.114 -25.958 -12.750 1.00 30.35 H new ATOM 0 HD22 ASN A 80 10.386 -24.410 -13.193 1.00 30.35 H new ATOM 1267 N THR A 81 10.019 -20.422 -10.023 1.00 70.32 N ATOM 1268 CA THR A 81 9.978 -18.979 -10.224 1.00 71.44 C ATOM 1269 C THR A 81 10.693 -18.246 -9.095 1.00 50.13 C ATOM 1270 O THR A 81 11.586 -17.433 -9.337 1.00 10.11 O ATOM 1271 CB THR A 81 8.529 -18.465 -10.318 1.00 54.04 C ATOM 1272 OG1 THR A 81 7.805 -19.219 -11.298 1.00 5.33 O ATOM 1273 CG2 THR A 81 8.500 -16.989 -10.683 1.00 32.30 C ATOM 0 H THR A 81 9.103 -20.864 -9.948 1.00 70.32 H new ATOM 0 HA THR A 81 10.489 -18.777 -11.166 1.00 71.44 H new ATOM 0 HB THR A 81 8.058 -18.590 -9.343 1.00 54.04 H new ATOM 0 HG1 THR A 81 6.884 -18.888 -11.351 1.00 5.33 H new ATOM 0 HG21 THR A 81 7.466 -16.649 -10.743 1.00 32.30 H new ATOM 0 HG22 THR A 81 9.026 -16.415 -9.920 1.00 32.30 H new ATOM 0 HG23 THR A 81 8.987 -16.843 -11.647 1.00 32.30 H new ATOM 1281 N ILE A 82 10.295 -18.538 -7.862 1.00 1.41 N ATOM 1282 CA ILE A 82 10.900 -17.907 -6.695 1.00 52.32 C ATOM 1283 C ILE A 82 12.417 -18.058 -6.713 1.00 11.45 C ATOM 1284 O ILE A 82 13.144 -17.171 -6.267 1.00 11.22 O ATOM 1285 CB ILE A 82 10.352 -18.504 -5.385 1.00 22.40 C ATOM 1286 CG1 ILE A 82 8.831 -18.344 -5.323 1.00 34.44 C ATOM 1287 CG2 ILE A 82 11.009 -17.839 -4.184 1.00 51.11 C ATOM 1288 CD1 ILE A 82 8.180 -19.168 -4.235 1.00 14.34 C ATOM 0 H ILE A 82 9.557 -19.207 -7.645 1.00 1.41 H new ATOM 0 HA ILE A 82 10.642 -16.849 -6.739 1.00 52.32 H new ATOM 0 HB ILE A 82 10.588 -19.568 -5.361 1.00 22.40 H new ATOM 0 HG12 ILE A 82 8.591 -17.293 -5.164 1.00 34.44 H new ATOM 0 HG13 ILE A 82 8.405 -18.626 -6.286 1.00 34.44 H new ATOM 0 HG21 ILE A 82 10.611 -18.272 -3.266 1.00 51.11 H new ATOM 0 HG22 ILE A 82 12.086 -17.999 -4.224 1.00 51.11 H new ATOM 0 HG23 ILE A 82 10.800 -16.769 -4.201 1.00 51.11 H new ATOM 0 HD11 ILE A 82 7.102 -19.005 -4.250 1.00 14.34 H new ATOM 0 HD12 ILE A 82 8.389 -20.224 -4.404 1.00 14.34 H new ATOM 0 HD13 ILE A 82 8.578 -18.870 -3.265 1.00 14.34 H new ATOM 1300 N ALA A 83 12.888 -19.187 -7.232 1.00 74.12 N ATOM 1301 CA ALA A 83 14.319 -19.452 -7.313 1.00 52.33 C ATOM 1302 C ALA A 83 15.009 -18.466 -8.249 1.00 4.35 C ATOM 1303 O ALA A 83 15.918 -17.741 -7.843 1.00 2.05 O ATOM 1304 CB ALA A 83 14.566 -20.881 -7.775 1.00 41.20 C ATOM 0 H ALA A 83 12.299 -19.933 -7.603 1.00 74.12 H new ATOM 0 HA ALA A 83 14.743 -19.324 -6.317 1.00 52.33 H new ATOM 0 HB1 ALA A 83 15.639 -21.065 -7.831 1.00 41.20 H new ATOM 0 HB2 ALA A 83 14.115 -21.576 -7.066 1.00 41.20 H new ATOM 0 HB3 ALA A 83 14.121 -21.027 -8.759 1.00 41.20 H new ATOM 1310 N VAL A 84 14.572 -18.442 -9.504 1.00 51.55 N ATOM 1311 CA VAL A 84 15.148 -17.544 -10.497 1.00 22.22 C ATOM 1312 C VAL A 84 15.118 -16.099 -10.013 1.00 31.34 C ATOM 1313 O VAL A 84 16.046 -15.329 -10.266 1.00 23.01 O ATOM 1314 CB VAL A 84 14.399 -17.639 -11.841 1.00 14.24 C ATOM 1315 CG1 VAL A 84 15.050 -16.737 -12.879 1.00 5.32 C ATOM 1316 CG2 VAL A 84 14.358 -19.080 -12.325 1.00 74.33 C ATOM 0 H VAL A 84 13.821 -19.035 -9.857 1.00 51.55 H new ATOM 0 HA VAL A 84 16.183 -17.854 -10.643 1.00 22.22 H new ATOM 0 HB VAL A 84 13.374 -17.300 -11.692 1.00 14.24 H new ATOM 0 HG11 VAL A 84 14.508 -16.817 -13.821 1.00 5.32 H new ATOM 0 HG12 VAL A 84 15.023 -15.704 -12.531 1.00 5.32 H new ATOM 0 HG13 VAL A 84 16.085 -17.043 -13.029 1.00 5.32 H new ATOM 0 HG21 VAL A 84 13.826 -19.130 -13.275 1.00 74.33 H new ATOM 0 HG22 VAL A 84 15.375 -19.448 -12.459 1.00 74.33 H new ATOM 0 HG23 VAL A 84 13.844 -19.697 -11.588 1.00 74.33 H new ATOM 1326 N LEU A 85 14.047 -15.736 -9.317 1.00 5.04 N ATOM 1327 CA LEU A 85 13.896 -14.381 -8.796 1.00 4.42 C ATOM 1328 C LEU A 85 14.991 -14.062 -7.782 1.00 33.01 C ATOM 1329 O LEU A 85 15.699 -13.064 -7.913 1.00 1.45 O ATOM 1330 CB LEU A 85 12.521 -14.213 -8.147 1.00 41.40 C ATOM 1331 CG LEU A 85 11.709 -12.999 -8.599 1.00 34.03 C ATOM 1332 CD1 LEU A 85 10.361 -13.433 -9.149 1.00 65.42 C ATOM 1333 CD2 LEU A 85 11.528 -12.020 -7.447 1.00 71.32 C ATOM 0 H LEU A 85 13.270 -16.360 -9.100 1.00 5.04 H new ATOM 0 HA LEU A 85 13.985 -13.686 -9.631 1.00 4.42 H new ATOM 0 HB2 LEU A 85 11.936 -15.111 -8.346 1.00 41.40 H new ATOM 0 HB3 LEU A 85 12.656 -14.153 -7.067 1.00 41.40 H new ATOM 0 HG LEU A 85 12.257 -12.495 -9.395 1.00 34.03 H new ATOM 0 HD11 LEU A 85 9.798 -12.555 -9.466 1.00 65.42 H new ATOM 0 HD12 LEU A 85 10.512 -14.094 -10.002 1.00 65.42 H new ATOM 0 HD13 LEU A 85 9.805 -13.961 -8.374 1.00 65.42 H new ATOM 0 HD21 LEU A 85 10.948 -11.162 -7.786 1.00 71.32 H new ATOM 0 HD22 LEU A 85 11.002 -12.513 -6.630 1.00 71.32 H new ATOM 0 HD23 LEU A 85 12.504 -11.683 -7.099 1.00 71.32 H new ATOM 1345 N TYR A 86 15.125 -14.918 -6.775 1.00 35.12 N ATOM 1346 CA TYR A 86 16.134 -14.728 -5.740 1.00 2.34 C ATOM 1347 C TYR A 86 17.515 -14.522 -6.355 1.00 72.04 C ATOM 1348 O TYR A 86 18.218 -13.566 -6.025 1.00 43.22 O ATOM 1349 CB TYR A 86 16.159 -15.931 -4.795 1.00 4.21 C ATOM 1350 CG TYR A 86 17.150 -15.790 -3.662 1.00 41.45 C ATOM 1351 CD1 TYR A 86 16.839 -15.050 -2.529 1.00 43.40 C ATOM 1352 CD2 TYR A 86 18.397 -16.400 -3.725 1.00 45.21 C ATOM 1353 CE1 TYR A 86 17.742 -14.918 -1.491 1.00 43.32 C ATOM 1354 CE2 TYR A 86 19.306 -16.275 -2.691 1.00 41.15 C ATOM 1355 CZ TYR A 86 18.973 -15.532 -1.577 1.00 54.32 C ATOM 1356 OH TYR A 86 19.875 -15.406 -0.545 1.00 63.52 O ATOM 0 H TYR A 86 14.548 -15.750 -6.654 1.00 35.12 H new ATOM 0 HA TYR A 86 15.872 -13.834 -5.174 1.00 2.34 H new ATOM 0 HB2 TYR A 86 15.162 -16.076 -4.379 1.00 4.21 H new ATOM 0 HB3 TYR A 86 16.399 -16.827 -5.367 1.00 4.21 H new ATOM 0 HD1 TYR A 86 15.875 -14.569 -2.458 1.00 43.40 H new ATOM 0 HD2 TYR A 86 18.660 -16.981 -4.596 1.00 45.21 H new ATOM 0 HE1 TYR A 86 17.485 -14.337 -0.618 1.00 43.32 H new ATOM 0 HE2 TYR A 86 20.271 -16.756 -2.755 1.00 41.15 H new ATOM 0 HH TYR A 86 20.693 -15.900 -0.763 1.00 63.52 H new ATOM 1366 N CYS A 87 17.896 -15.424 -7.252 1.00 43.21 N ATOM 1367 CA CYS A 87 19.192 -15.344 -7.914 1.00 32.30 C ATOM 1368 C CYS A 87 19.399 -13.967 -8.537 1.00 35.13 C ATOM 1369 O CYS A 87 20.515 -13.448 -8.565 1.00 34.42 O ATOM 1370 CB CYS A 87 19.307 -16.425 -8.989 1.00 54.14 C ATOM 1371 SG CYS A 87 19.633 -18.080 -8.339 1.00 70.02 S ATOM 0 H CYS A 87 17.325 -16.220 -7.538 1.00 43.21 H new ATOM 0 HA CYS A 87 19.966 -15.505 -7.164 1.00 32.30 H new ATOM 0 HB2 CYS A 87 18.382 -16.448 -9.566 1.00 54.14 H new ATOM 0 HB3 CYS A 87 20.106 -16.153 -9.679 1.00 54.14 H new ATOM 0 HG CYS A 87 20.486 -18.688 -9.109 1.00 70.02 H new ATOM 1377 N VAL A 88 18.317 -13.381 -9.038 1.00 60.45 N ATOM 1378 CA VAL A 88 18.380 -12.064 -9.662 1.00 63.22 C ATOM 1379 C VAL A 88 18.627 -10.976 -8.623 1.00 33.21 C ATOM 1380 O VAL A 88 19.430 -10.067 -8.840 1.00 51.05 O ATOM 1381 CB VAL A 88 17.081 -11.742 -10.426 1.00 53.41 C ATOM 1382 CG1 VAL A 88 17.156 -10.355 -11.046 1.00 44.45 C ATOM 1383 CG2 VAL A 88 16.815 -12.797 -11.489 1.00 75.53 C ATOM 0 H VAL A 88 17.386 -13.797 -9.024 1.00 60.45 H new ATOM 0 HA VAL A 88 19.211 -12.087 -10.366 1.00 63.22 H new ATOM 0 HB VAL A 88 16.251 -11.753 -9.719 1.00 53.41 H new ATOM 0 HG11 VAL A 88 16.230 -10.145 -11.581 1.00 44.45 H new ATOM 0 HG12 VAL A 88 17.297 -9.613 -10.261 1.00 44.45 H new ATOM 0 HG13 VAL A 88 17.995 -10.312 -11.741 1.00 44.45 H new ATOM 0 HG21 VAL A 88 15.894 -12.555 -12.019 1.00 75.53 H new ATOM 0 HG22 VAL A 88 17.645 -12.820 -12.195 1.00 75.53 H new ATOM 0 HG23 VAL A 88 16.715 -13.774 -11.015 1.00 75.53 H new ATOM 1393 N HIS A 89 17.933 -11.074 -7.493 1.00 74.41 N ATOM 1394 CA HIS A 89 18.079 -10.098 -6.419 1.00 32.51 C ATOM 1395 C HIS A 89 19.431 -10.249 -5.729 1.00 3.13 C ATOM 1396 O HIS A 89 19.949 -9.230 -5.273 1.00 21.34 O ATOM 1397 CB HIS A 89 16.952 -10.259 -5.398 1.00 70.33 C ATOM 1398 CG HIS A 89 15.623 -9.778 -5.893 1.00 22.40 C ATOM 1399 ND1 HIS A 89 15.481 -8.704 -6.747 1.00 1.13 N ATOM 1400 CD2 HIS A 89 14.370 -10.230 -5.650 1.00 30.12 C ATOM 1401 CE1 HIS A 89 14.199 -8.517 -7.007 1.00 30.13 C ATOM 1402 NE2 HIS A 89 13.504 -9.431 -6.353 1.00 73.40 N ATOM 0 H HIS A 89 17.264 -11.819 -7.298 1.00 74.41 H new ATOM 0 HA HIS A 89 18.023 -9.101 -6.857 1.00 32.51 H new ATOM 0 HB2 HIS A 89 16.869 -11.311 -5.123 1.00 70.33 H new ATOM 0 HB3 HIS A 89 17.213 -9.712 -4.492 1.00 70.33 H new ATOM 0 HD1 HIS A 89 16.246 -8.142 -7.120 1.00 1.13 H new ATOM 0 HD2 HIS A 89 14.102 -11.065 -5.020 1.00 30.12 H new ATOM 0 HE1 HIS A 89 13.789 -7.748 -7.645 1.00 30.13 H new ATOM 1411 N GLN A 90 19.996 -11.449 -5.644 1.00 1.53 N ATOM 1412 CA GLN A 90 21.286 -11.641 -4.992 1.00 32.11 C ATOM 1413 C GLN A 90 22.428 -11.221 -5.912 1.00 0.34 C ATOM 1414 O GLN A 90 23.043 -10.173 -5.715 1.00 1.43 O ATOM 1415 CB GLN A 90 21.461 -13.103 -4.579 1.00 63.14 C ATOM 1416 CG GLN A 90 21.259 -13.344 -3.092 1.00 3.54 C ATOM 1417 CD GLN A 90 22.422 -12.842 -2.258 1.00 44.34 C ATOM 1418 OE1 GLN A 90 23.479 -13.471 -2.202 1.00 64.11 O ATOM 1419 NE2 GLN A 90 22.231 -11.702 -1.602 1.00 44.52 N ATOM 0 H GLN A 90 19.581 -12.302 -6.018 1.00 1.53 H new ATOM 0 HA GLN A 90 21.311 -11.014 -4.101 1.00 32.11 H new ATOM 0 HB2 GLN A 90 20.754 -13.717 -5.137 1.00 63.14 H new ATOM 0 HB3 GLN A 90 22.461 -13.434 -4.860 1.00 63.14 H new ATOM 0 HG2 GLN A 90 20.344 -12.849 -2.768 1.00 3.54 H new ATOM 0 HG3 GLN A 90 21.124 -14.411 -2.915 1.00 3.54 H new ATOM 0 HE21 GLN A 90 21.339 -11.214 -1.677 1.00 44.52 H new ATOM 0 HE22 GLN A 90 22.977 -11.315 -1.024 1.00 44.52 H new ATOM 1428 N ARG A 91 22.706 -12.045 -6.917 1.00 1.54 N ATOM 1429 CA ARG A 91 23.775 -11.759 -7.865 1.00 73.32 C ATOM 1430 C ARG A 91 23.869 -12.854 -8.925 1.00 64.31 C ATOM 1431 O ARG A 91 24.169 -12.582 -10.088 1.00 31.01 O ATOM 1432 CB ARG A 91 25.112 -11.626 -7.135 1.00 33.44 C ATOM 1433 CG ARG A 91 25.929 -10.422 -7.576 1.00 74.23 C ATOM 1434 CD ARG A 91 26.785 -10.745 -8.791 1.00 61.32 C ATOM 1435 NE ARG A 91 26.479 -9.873 -9.923 1.00 12.04 N ATOM 1436 CZ ARG A 91 26.823 -8.591 -9.976 1.00 32.25 C ATOM 1437 NH1 ARG A 91 27.482 -8.035 -8.968 1.00 34.22 N1+ ATOM 1438 NH2 ARG A 91 26.510 -7.862 -11.040 1.00 1.13 N ATOM 0 H ARG A 91 22.206 -12.916 -7.095 1.00 1.54 H new ATOM 0 HA ARG A 91 23.544 -10.816 -8.360 1.00 73.32 H new ATOM 0 HB2 ARG A 91 24.926 -11.555 -6.063 1.00 33.44 H new ATOM 0 HB3 ARG A 91 25.697 -12.531 -7.298 1.00 33.44 H new ATOM 0 HG2 ARG A 91 25.261 -9.593 -7.810 1.00 74.23 H new ATOM 0 HG3 ARG A 91 26.568 -10.094 -6.756 1.00 74.23 H new ATOM 0 HD2 ARG A 91 27.838 -10.644 -8.530 1.00 61.32 H new ATOM 0 HD3 ARG A 91 26.627 -11.784 -9.080 1.00 61.32 H new ATOM 0 HE ARG A 91 25.974 -10.270 -10.715 1.00 12.04 H new ATOM 0 HH11 ARG A 91 27.726 -8.592 -8.149 1.00 34.22 H new ATOM 0 HH12 ARG A 91 27.745 -7.050 -9.012 1.00 34.22 H new ATOM 0 HH21 ARG A 91 26.005 -8.286 -11.818 1.00 1.13 H new ATOM 0 HH22 ARG A 91 26.775 -6.878 -11.080 1.00 1.13 H new ATOM 1452 N ILE A 92 23.610 -14.090 -8.514 1.00 41.23 N ATOM 1453 CA ILE A 92 23.665 -15.226 -9.427 1.00 25.43 C ATOM 1454 C ILE A 92 22.825 -14.968 -10.674 1.00 40.55 C ATOM 1455 O ILE A 92 21.637 -14.659 -10.581 1.00 50.34 O ATOM 1456 CB ILE A 92 23.175 -16.518 -8.748 1.00 71.54 C ATOM 1457 CG1 ILE A 92 23.971 -16.782 -7.470 1.00 54.51 C ATOM 1458 CG2 ILE A 92 23.293 -17.696 -9.705 1.00 64.03 C ATOM 1459 CD1 ILE A 92 23.215 -16.440 -6.206 1.00 1.25 C ATOM 0 H ILE A 92 23.360 -14.331 -7.555 1.00 41.23 H new ATOM 0 HA ILE A 92 24.709 -15.351 -9.714 1.00 25.43 H new ATOM 0 HB ILE A 92 22.126 -16.395 -8.481 1.00 71.54 H new ATOM 0 HG12 ILE A 92 24.256 -17.834 -7.440 1.00 54.51 H new ATOM 0 HG13 ILE A 92 24.894 -16.202 -7.500 1.00 54.51 H new ATOM 0 HG21 ILE A 92 22.943 -18.602 -9.211 1.00 64.03 H new ATOM 0 HG22 ILE A 92 22.686 -17.508 -10.590 1.00 64.03 H new ATOM 0 HG23 ILE A 92 24.335 -17.823 -10.000 1.00 64.03 H new ATOM 0 HD11 ILE A 92 23.841 -16.653 -5.339 1.00 1.25 H new ATOM 0 HD12 ILE A 92 22.953 -15.382 -6.214 1.00 1.25 H new ATOM 0 HD13 ILE A 92 22.306 -17.039 -6.153 1.00 1.25 H new ATOM 1471 N ASP A 93 23.449 -15.100 -11.839 1.00 51.32 N ATOM 1472 CA ASP A 93 22.759 -14.886 -13.105 1.00 73.32 C ATOM 1473 C ASP A 93 22.584 -16.201 -13.858 1.00 21.00 C ATOM 1474 O ASP A 93 22.970 -16.319 -15.021 1.00 54.33 O ATOM 1475 CB ASP A 93 23.531 -13.888 -13.969 1.00 74.32 C ATOM 1476 CG ASP A 93 22.693 -13.333 -15.104 1.00 44.42 C ATOM 1477 OD1 ASP A 93 21.550 -13.805 -15.281 1.00 74.54 O1- ATOM 1478 OD2 ASP A 93 23.178 -12.428 -15.814 1.00 40.30 O ATOM 0 H ASP A 93 24.432 -15.354 -11.933 1.00 51.32 H new ATOM 0 HA ASP A 93 21.772 -14.479 -12.888 1.00 73.32 H new ATOM 0 HB2 ASP A 93 23.881 -13.066 -13.344 1.00 74.32 H new ATOM 0 HB3 ASP A 93 24.415 -14.375 -14.379 1.00 74.32 H new ATOM 1483 N VAL A 94 21.999 -17.188 -13.187 1.00 64.12 N ATOM 1484 CA VAL A 94 21.772 -18.495 -13.793 1.00 4.22 C ATOM 1485 C VAL A 94 21.060 -18.364 -15.134 1.00 34.41 C ATOM 1486 O VAL A 94 20.274 -17.440 -15.345 1.00 23.30 O ATOM 1487 CB VAL A 94 20.939 -19.404 -12.869 1.00 54.13 C ATOM 1488 CG1 VAL A 94 21.715 -19.733 -11.602 1.00 21.20 C ATOM 1489 CG2 VAL A 94 19.608 -18.748 -12.534 1.00 21.30 C ATOM 0 H VAL A 94 21.674 -17.108 -12.224 1.00 64.12 H new ATOM 0 HA VAL A 94 22.752 -18.946 -13.949 1.00 4.22 H new ATOM 0 HB VAL A 94 20.735 -20.337 -13.394 1.00 54.13 H new ATOM 0 HG11 VAL A 94 21.111 -20.376 -10.962 1.00 21.20 H new ATOM 0 HG12 VAL A 94 22.639 -20.248 -11.865 1.00 21.20 H new ATOM 0 HG13 VAL A 94 21.952 -18.811 -11.071 1.00 21.20 H new ATOM 0 HG21 VAL A 94 19.033 -19.404 -11.881 1.00 21.30 H new ATOM 0 HG22 VAL A 94 19.787 -17.799 -12.029 1.00 21.30 H new ATOM 0 HG23 VAL A 94 19.049 -18.570 -13.452 1.00 21.30 H new ATOM 1499 N LYS A 95 21.340 -19.294 -16.040 1.00 34.31 N ATOM 1500 CA LYS A 95 20.726 -19.285 -17.362 1.00 44.24 C ATOM 1501 C LYS A 95 19.351 -19.946 -17.329 1.00 2.03 C ATOM 1502 O LYS A 95 18.468 -19.602 -18.113 1.00 63.05 O ATOM 1503 CB LYS A 95 21.625 -20.005 -18.370 1.00 22.32 C ATOM 1504 CG LYS A 95 22.772 -19.150 -18.881 1.00 14.02 C ATOM 1505 CD LYS A 95 23.967 -20.001 -19.278 1.00 64.42 C ATOM 1506 CE LYS A 95 24.578 -19.524 -20.587 1.00 14.40 C ATOM 1507 NZ LYS A 95 25.099 -20.657 -21.401 1.00 52.31 N1+ ATOM 0 H LYS A 95 21.989 -20.065 -15.883 1.00 34.31 H new ATOM 0 HA LYS A 95 20.603 -18.247 -17.670 1.00 44.24 H new ATOM 0 HB2 LYS A 95 22.031 -20.903 -17.905 1.00 22.32 H new ATOM 0 HB3 LYS A 95 21.020 -20.330 -19.216 1.00 22.32 H new ATOM 0 HG2 LYS A 95 22.438 -18.567 -19.739 1.00 14.02 H new ATOM 0 HG3 LYS A 95 23.070 -18.440 -18.109 1.00 14.02 H new ATOM 0 HD2 LYS A 95 24.719 -19.965 -18.490 1.00 64.42 H new ATOM 0 HD3 LYS A 95 23.658 -21.042 -19.377 1.00 64.42 H new ATOM 0 HE2 LYS A 95 23.828 -18.979 -21.161 1.00 14.40 H new ATOM 0 HE3 LYS A 95 25.388 -18.825 -20.377 1.00 14.40 H new ATOM 0 HZ1 LYS A 95 25.507 -20.291 -22.285 1.00 52.31 H new ATOM 0 HZ2 LYS A 95 25.833 -21.162 -20.864 1.00 52.31 H new ATOM 0 HZ3 LYS A 95 24.321 -21.311 -21.624 1.00 52.31 H new ATOM 1521 N ASP A 96 19.179 -20.894 -16.415 1.00 41.03 N ATOM 1522 CA ASP A 96 17.911 -21.601 -16.278 1.00 52.53 C ATOM 1523 C ASP A 96 17.512 -21.723 -14.810 1.00 15.15 C ATOM 1524 O ASP A 96 18.222 -21.249 -13.921 1.00 64.23 O ATOM 1525 CB ASP A 96 18.005 -22.991 -16.910 1.00 12.05 C ATOM 1526 CG ASP A 96 19.285 -23.712 -16.532 1.00 51.32 C ATOM 1527 OD1 ASP A 96 19.355 -24.244 -15.404 1.00 55.13 O ATOM 1528 OD2 ASP A 96 20.216 -23.745 -17.364 1.00 45.13 O1- ATOM 0 H ASP A 96 19.901 -21.191 -15.758 1.00 41.03 H new ATOM 0 HA ASP A 96 17.145 -21.025 -16.798 1.00 52.53 H new ATOM 0 HB2 ASP A 96 17.149 -23.588 -16.597 1.00 12.05 H new ATOM 0 HB3 ASP A 96 17.950 -22.899 -17.995 1.00 12.05 H new ATOM 1533 N THR A 97 16.373 -22.360 -14.561 1.00 61.14 N ATOM 1534 CA THR A 97 15.878 -22.542 -13.202 1.00 34.42 C ATOM 1535 C THR A 97 16.580 -23.707 -12.513 1.00 34.53 C ATOM 1536 O THR A 97 16.698 -23.737 -11.289 1.00 12.14 O ATOM 1537 CB THR A 97 14.359 -22.792 -13.186 1.00 72.31 C ATOM 1538 OG1 THR A 97 13.693 -21.814 -13.992 1.00 71.51 O ATOM 1539 CG2 THR A 97 13.817 -22.739 -11.765 1.00 73.21 C ATOM 0 H THR A 97 15.775 -22.759 -15.284 1.00 61.14 H new ATOM 0 HA THR A 97 16.093 -21.620 -12.662 1.00 34.42 H new ATOM 0 HB THR A 97 14.172 -23.786 -13.593 1.00 72.31 H new ATOM 0 HG1 THR A 97 13.098 -22.264 -14.627 1.00 71.51 H new ATOM 0 HG21 THR A 97 12.742 -22.918 -11.779 1.00 73.21 H new ATOM 0 HG22 THR A 97 14.305 -23.504 -11.161 1.00 73.21 H new ATOM 0 HG23 THR A 97 14.015 -21.757 -11.336 1.00 73.21 H new ATOM 1547 N LYS A 98 17.048 -24.664 -13.308 1.00 60.53 N ATOM 1548 CA LYS A 98 17.741 -25.831 -12.775 1.00 60.12 C ATOM 1549 C LYS A 98 19.036 -25.424 -12.082 1.00 14.21 C ATOM 1550 O LYS A 98 19.416 -26.007 -11.067 1.00 34.21 O ATOM 1551 CB LYS A 98 18.041 -26.827 -13.897 1.00 73.41 C ATOM 1552 CG LYS A 98 18.638 -28.134 -13.405 1.00 74.44 C ATOM 1553 CD LYS A 98 20.083 -28.289 -13.849 1.00 72.23 C ATOM 1554 CE LYS A 98 20.731 -29.513 -13.221 1.00 50.52 C ATOM 1555 NZ LYS A 98 22.088 -29.771 -13.778 1.00 65.33 N1+ ATOM 0 H LYS A 98 16.960 -24.654 -14.324 1.00 60.53 H new ATOM 0 HA LYS A 98 17.090 -26.306 -12.040 1.00 60.12 H new ATOM 0 HB2 LYS A 98 17.120 -27.039 -14.439 1.00 73.41 H new ATOM 0 HB3 LYS A 98 18.729 -26.367 -14.606 1.00 73.41 H new ATOM 0 HG2 LYS A 98 18.585 -28.173 -12.317 1.00 74.44 H new ATOM 0 HG3 LYS A 98 18.049 -28.969 -13.783 1.00 74.44 H new ATOM 0 HD2 LYS A 98 20.124 -28.371 -14.935 1.00 72.23 H new ATOM 0 HD3 LYS A 98 20.646 -27.397 -13.575 1.00 72.23 H new ATOM 0 HE2 LYS A 98 20.802 -29.373 -12.142 1.00 50.52 H new ATOM 0 HE3 LYS A 98 20.098 -30.385 -13.388 1.00 50.52 H new ATOM 0 HZ1 LYS A 98 22.495 -30.613 -13.324 1.00 65.33 H new ATOM 0 HZ2 LYS A 98 22.018 -29.930 -14.803 1.00 65.33 H new ATOM 0 HZ3 LYS A 98 22.700 -28.950 -13.596 1.00 65.33 H new ATOM 1569 N GLU A 99 19.709 -24.420 -12.636 1.00 3.24 N ATOM 1570 CA GLU A 99 20.962 -23.935 -12.068 1.00 55.14 C ATOM 1571 C GLU A 99 20.709 -23.126 -10.799 1.00 64.42 C ATOM 1572 O GLU A 99 21.467 -23.210 -9.835 1.00 4.52 O ATOM 1573 CB GLU A 99 21.714 -23.080 -13.090 1.00 75.30 C ATOM 1574 CG GLU A 99 22.832 -23.825 -13.802 1.00 23.14 C ATOM 1575 CD GLU A 99 24.112 -23.870 -12.990 1.00 25.34 C ATOM 1576 OE1 GLU A 99 24.051 -23.595 -11.772 1.00 51.54 O ATOM 1577 OE2 GLU A 99 25.173 -24.177 -13.570 1.00 53.53 O1- ATOM 0 H GLU A 99 19.408 -23.927 -13.477 1.00 3.24 H new ATOM 0 HA GLU A 99 21.572 -24.800 -11.810 1.00 55.14 H new ATOM 0 HB2 GLU A 99 21.006 -22.709 -13.831 1.00 75.30 H new ATOM 0 HB3 GLU A 99 22.133 -22.210 -12.585 1.00 75.30 H new ATOM 0 HG2 GLU A 99 22.506 -24.843 -14.017 1.00 23.14 H new ATOM 0 HG3 GLU A 99 23.031 -23.345 -14.760 1.00 23.14 H new ATOM 1584 N ALA A 100 19.635 -22.342 -10.810 1.00 31.53 N ATOM 1585 CA ALA A 100 19.280 -21.517 -9.662 1.00 54.14 C ATOM 1586 C ALA A 100 18.985 -22.379 -8.439 1.00 1.34 C ATOM 1587 O ALA A 100 19.162 -21.942 -7.301 1.00 21.12 O ATOM 1588 CB ALA A 100 18.083 -20.638 -9.993 1.00 54.15 C ATOM 0 H ALA A 100 18.996 -22.261 -11.601 1.00 31.53 H new ATOM 0 HA ALA A 100 20.131 -20.878 -9.427 1.00 54.14 H new ATOM 0 HB1 ALA A 100 17.829 -20.027 -9.126 1.00 54.15 H new ATOM 0 HB2 ALA A 100 18.329 -19.990 -10.834 1.00 54.15 H new ATOM 0 HB3 ALA A 100 17.232 -21.266 -10.256 1.00 54.15 H new ATOM 1594 N LEU A 101 18.533 -23.605 -8.680 1.00 12.24 N ATOM 1595 CA LEU A 101 18.212 -24.528 -7.597 1.00 20.30 C ATOM 1596 C LEU A 101 19.482 -25.090 -6.966 1.00 33.15 C ATOM 1597 O LEU A 101 19.562 -25.258 -5.749 1.00 45.03 O ATOM 1598 CB LEU A 101 17.339 -25.671 -8.118 1.00 1.14 C ATOM 1599 CG LEU A 101 16.107 -26.010 -7.277 1.00 62.45 C ATOM 1600 CD1 LEU A 101 16.514 -26.401 -5.865 1.00 35.34 C ATOM 1601 CD2 LEU A 101 15.140 -24.834 -7.250 1.00 74.34 C ATOM 0 H LEU A 101 18.381 -23.983 -9.615 1.00 12.24 H new ATOM 0 HA LEU A 101 17.662 -23.977 -6.834 1.00 20.30 H new ATOM 0 HB2 LEU A 101 17.009 -25.419 -9.126 1.00 1.14 H new ATOM 0 HB3 LEU A 101 17.956 -26.566 -8.199 1.00 1.14 H new ATOM 0 HG LEU A 101 15.601 -26.860 -7.735 1.00 62.45 H new ATOM 0 HD11 LEU A 101 15.624 -26.638 -5.282 1.00 35.34 H new ATOM 0 HD12 LEU A 101 17.166 -27.273 -5.903 1.00 35.34 H new ATOM 0 HD13 LEU A 101 17.044 -25.572 -5.396 1.00 35.34 H new ATOM 0 HD21 LEU A 101 14.269 -25.093 -6.647 1.00 74.34 H new ATOM 0 HD22 LEU A 101 15.636 -23.965 -6.817 1.00 74.34 H new ATOM 0 HD23 LEU A 101 14.822 -24.601 -8.266 1.00 74.34 H new ATOM 1613 N ASP A 102 20.475 -25.377 -7.802 1.00 52.13 N ATOM 1614 CA ASP A 102 21.743 -25.918 -7.326 1.00 21.53 C ATOM 1615 C ASP A 102 22.535 -24.856 -6.568 1.00 41.32 C ATOM 1616 O ASP A 102 23.223 -25.159 -5.593 1.00 30.25 O ATOM 1617 CB ASP A 102 22.568 -26.447 -8.499 1.00 20.43 C ATOM 1618 CG ASP A 102 22.678 -27.959 -8.495 1.00 63.44 C ATOM 1619 OD1 ASP A 102 23.099 -28.521 -7.463 1.00 34.54 O ATOM 1620 OD2 ASP A 102 22.340 -28.580 -9.525 1.00 64.21 O1- ATOM 0 H ASP A 102 20.426 -25.244 -8.812 1.00 52.13 H new ATOM 0 HA ASP A 102 21.527 -26.741 -6.644 1.00 21.53 H new ATOM 0 HB2 ASP A 102 22.114 -26.121 -9.435 1.00 20.43 H new ATOM 0 HB3 ASP A 102 23.567 -26.013 -8.462 1.00 20.43 H new ATOM 1625 N LYS A 103 22.434 -23.612 -7.023 1.00 14.22 N ATOM 1626 CA LYS A 103 23.140 -22.506 -6.389 1.00 61.51 C ATOM 1627 C LYS A 103 22.595 -22.244 -4.989 1.00 62.40 C ATOM 1628 O LYS A 103 23.357 -22.008 -4.051 1.00 25.22 O ATOM 1629 CB LYS A 103 23.017 -21.240 -7.240 1.00 71.54 C ATOM 1630 CG LYS A 103 23.985 -21.197 -8.411 1.00 1.33 C ATOM 1631 CD LYS A 103 25.307 -20.562 -8.017 1.00 12.32 C ATOM 1632 CE LYS A 103 26.455 -21.092 -8.862 1.00 52.14 C ATOM 1633 NZ LYS A 103 27.696 -20.290 -8.680 1.00 70.45 N1+ ATOM 0 H LYS A 103 21.869 -23.345 -7.829 1.00 14.22 H new ATOM 0 HA LYS A 103 24.192 -22.780 -6.306 1.00 61.51 H new ATOM 0 HB2 LYS A 103 21.998 -21.165 -7.619 1.00 71.54 H new ATOM 0 HB3 LYS A 103 23.187 -20.369 -6.607 1.00 71.54 H new ATOM 0 HG2 LYS A 103 24.161 -22.209 -8.777 1.00 1.33 H new ATOM 0 HG3 LYS A 103 23.540 -20.634 -9.232 1.00 1.33 H new ATOM 0 HD2 LYS A 103 25.240 -19.480 -8.130 1.00 12.32 H new ATOM 0 HD3 LYS A 103 25.507 -20.760 -6.964 1.00 12.32 H new ATOM 0 HE2 LYS A 103 26.652 -22.131 -8.596 1.00 52.14 H new ATOM 0 HE3 LYS A 103 26.167 -21.081 -9.913 1.00 52.14 H new ATOM 0 HZ1 LYS A 103 28.454 -20.684 -9.273 1.00 70.45 H new ATOM 0 HZ2 LYS A 103 27.516 -19.304 -8.958 1.00 70.45 H new ATOM 0 HZ3 LYS A 103 27.986 -20.321 -7.682 1.00 70.45 H new ATOM 1647 N ILE A 104 21.274 -22.288 -4.855 1.00 70.12 N ATOM 1648 CA ILE A 104 20.628 -22.058 -3.569 1.00 12.23 C ATOM 1649 C ILE A 104 20.744 -23.284 -2.669 1.00 3.22 C ATOM 1650 O ILE A 104 20.701 -23.172 -1.444 1.00 74.01 O ATOM 1651 CB ILE A 104 19.141 -21.700 -3.741 1.00 20.52 C ATOM 1652 CG1 ILE A 104 18.991 -20.468 -4.636 1.00 43.01 C ATOM 1653 CG2 ILE A 104 18.493 -21.459 -2.386 1.00 22.13 C ATOM 1654 CD1 ILE A 104 17.577 -20.248 -5.129 1.00 33.41 C ATOM 0 H ILE A 104 20.630 -22.481 -5.622 1.00 70.12 H new ATOM 0 HA ILE A 104 21.143 -21.218 -3.103 1.00 12.23 H new ATOM 0 HB ILE A 104 18.634 -22.538 -4.220 1.00 20.52 H new ATOM 0 HG12 ILE A 104 19.316 -19.586 -4.084 1.00 43.01 H new ATOM 0 HG13 ILE A 104 19.655 -20.569 -5.494 1.00 43.01 H new ATOM 0 HG21 ILE A 104 17.442 -21.207 -2.525 1.00 22.13 H new ATOM 0 HG22 ILE A 104 18.573 -22.361 -1.779 1.00 22.13 H new ATOM 0 HG23 ILE A 104 19.000 -20.636 -1.882 1.00 22.13 H new ATOM 0 HD11 ILE A 104 17.545 -19.358 -5.757 1.00 33.41 H new ATOM 0 HD12 ILE A 104 17.255 -21.113 -5.709 1.00 33.41 H new ATOM 0 HD13 ILE A 104 16.911 -20.114 -4.276 1.00 33.41 H new ATOM 1666 N GLU A 105 20.893 -24.452 -3.285 1.00 43.20 N ATOM 1667 CA GLU A 105 21.016 -25.698 -2.539 1.00 11.00 C ATOM 1668 C GLU A 105 22.419 -25.849 -1.958 1.00 24.13 C ATOM 1669 O GLU A 105 22.583 -26.095 -0.763 1.00 34.01 O ATOM 1670 CB GLU A 105 20.695 -26.892 -3.441 1.00 1.44 C ATOM 1671 CG GLU A 105 19.235 -27.310 -3.401 1.00 62.43 C ATOM 1672 CD GLU A 105 18.927 -28.248 -2.252 1.00 51.33 C ATOM 1673 OE1 GLU A 105 19.841 -28.517 -1.445 1.00 1.31 O ATOM 1674 OE2 GLU A 105 17.772 -28.716 -2.160 1.00 2.34 O1- ATOM 0 H GLU A 105 20.931 -24.561 -4.298 1.00 43.20 H new ATOM 0 HA GLU A 105 20.302 -25.670 -1.716 1.00 11.00 H new ATOM 0 HB2 GLU A 105 20.965 -26.644 -4.467 1.00 1.44 H new ATOM 0 HB3 GLU A 105 21.315 -27.738 -3.144 1.00 1.44 H new ATOM 0 HG2 GLU A 105 18.609 -26.422 -3.317 1.00 62.43 H new ATOM 0 HG3 GLU A 105 18.974 -27.796 -4.341 1.00 62.43 H new