USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 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 164:sc= 1.04 USER MOD Set 1.2: A 97 THR OG1 : rot 45:sc=-0.00772 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00444 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-9.6!) USER MOD Single : A 38 SER OG : rot 96:sc= 1.29 USER MOD Single : A 47 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 53 THR OG1 : rot -48:sc= 1.59 USER MOD Single : A 54 SER OG : rot 142:sc= 0.799 USER MOD Single : A 57 CYS SG : rot -100:sc= 0.0602 USER MOD Single : A 59 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.49) USER MOD Single : A 63 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.49) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 67 SER OG : rot 113:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 55:sc= 0.378 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.726 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.0271 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.602 USER MOD Single : A 89 HIS : +bothHN:sc= -0.444! C(o=-0.44!,f=-4.3!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.453 6.090 -8.056 1.00 53.52 N ATOM 64 CA VAL A 7 -9.785 7.056 -9.095 1.00 13.10 C ATOM 65 C VAL A 7 -11.053 7.827 -8.744 1.00 50.12 C ATOM 66 O VAL A 7 -11.020 9.043 -8.548 1.00 41.54 O ATOM 67 CB VAL A 7 -9.977 6.369 -10.459 1.00 32.23 C ATOM 68 CG1 VAL A 7 -10.182 7.404 -11.555 1.00 41.32 C ATOM 69 CG2 VAL A 7 -8.788 5.474 -10.777 1.00 53.44 C ATOM 0 HA VAL A 7 -8.947 7.750 -9.161 1.00 13.10 H new ATOM 0 HB VAL A 7 -10.870 5.746 -10.409 1.00 32.23 H new ATOM 0 HG11 VAL A 7 -10.316 6.899 -12.512 1.00 41.32 H new ATOM 0 HG12 VAL A 7 -11.067 8.000 -11.332 1.00 41.32 H new ATOM 0 HG13 VAL A 7 -9.310 8.056 -11.608 1.00 41.32 H new ATOM 0 HG21 VAL A 7 -8.941 4.996 -11.745 1.00 53.44 H new ATOM 0 HG22 VAL A 7 -7.879 6.074 -10.808 1.00 53.44 H new ATOM 0 HG23 VAL A 7 -8.692 4.709 -10.006 1.00 53.44 H new ATOM 79 N LEU A 8 -12.170 7.112 -8.666 1.00 73.13 N ATOM 80 CA LEU A 8 -13.451 7.729 -8.337 1.00 23.40 C ATOM 81 C LEU A 8 -14.017 7.152 -7.043 1.00 13.21 C ATOM 82 O LEU A 8 -14.221 5.944 -6.928 1.00 53.32 O ATOM 83 CB LEU A 8 -14.446 7.521 -9.479 1.00 24.15 C ATOM 84 CG LEU A 8 -14.096 8.194 -10.807 1.00 73.13 C ATOM 85 CD1 LEU A 8 -15.095 7.803 -11.884 1.00 73.31 C ATOM 86 CD2 LEU A 8 -14.049 9.705 -10.643 1.00 14.21 C ATOM 0 H LEU A 8 -12.215 6.106 -8.826 1.00 73.13 H new ATOM 0 HA LEU A 8 -13.287 8.797 -8.195 1.00 23.40 H new ATOM 0 HB2 LEU A 8 -14.549 6.450 -9.654 1.00 24.15 H new ATOM 0 HB3 LEU A 8 -15.421 7.886 -9.156 1.00 24.15 H new ATOM 0 HG LEU A 8 -13.108 7.852 -11.116 1.00 73.13 H new ATOM 0 HD11 LEU A 8 -14.829 8.292 -12.821 1.00 73.31 H new ATOM 0 HD12 LEU A 8 -15.078 6.722 -12.021 1.00 73.31 H new ATOM 0 HD13 LEU A 8 -16.095 8.115 -11.583 1.00 73.31 H new ATOM 0 HD21 LEU A 8 -13.799 10.167 -11.598 1.00 14.21 H new ATOM 0 HD22 LEU A 8 -15.022 10.065 -10.310 1.00 14.21 H new ATOM 0 HD23 LEU A 8 -13.292 9.967 -9.904 1.00 14.21 H new ATOM 98 N SER A 9 -14.270 8.025 -6.074 1.00 53.25 N ATOM 99 CA SER A 9 -14.810 7.603 -4.786 1.00 22.31 C ATOM 100 C SER A 9 -16.269 7.181 -4.923 1.00 5.14 C ATOM 101 O SER A 9 -16.798 7.082 -6.030 1.00 42.15 O ATOM 102 CB SER A 9 -14.688 8.733 -3.763 1.00 32.02 C ATOM 103 OG SER A 9 -15.766 9.646 -3.880 1.00 43.32 O ATOM 0 H SER A 9 -14.110 9.029 -6.156 1.00 53.25 H new ATOM 0 HA SER A 9 -14.232 6.746 -4.440 1.00 22.31 H new ATOM 0 HB2 SER A 9 -14.668 8.316 -2.756 1.00 32.02 H new ATOM 0 HB3 SER A 9 -13.744 9.259 -3.908 1.00 32.02 H new ATOM 0 HG SER A 9 -15.666 10.358 -3.214 1.00 43.32 H new ATOM 109 N GLY A 10 -16.916 6.932 -3.788 1.00 3.20 N ATOM 110 CA GLY A 10 -18.308 6.522 -3.802 1.00 72.22 C ATOM 111 C GLY A 10 -19.190 7.491 -4.564 1.00 50.13 C ATOM 112 O GLY A 10 -19.964 7.087 -5.431 1.00 34.51 O ATOM 0 H GLY A 10 -16.501 7.007 -2.859 1.00 3.20 H new ATOM 0 HA2 GLY A 10 -18.388 5.532 -4.252 1.00 72.22 H new ATOM 0 HA3 GLY A 10 -18.669 6.436 -2.777 1.00 72.22 H new ATOM 116 N GLY A 11 -19.076 8.776 -4.238 1.00 64.05 N ATOM 117 CA GLY A 11 -19.876 9.784 -4.906 1.00 72.11 C ATOM 118 C GLY A 11 -19.518 9.932 -6.371 1.00 31.30 C ATOM 119 O GLY A 11 -20.398 9.973 -7.231 1.00 14.41 O ATOM 0 H GLY A 11 -18.444 9.135 -3.523 1.00 64.05 H new ATOM 0 HA2 GLY A 11 -20.931 9.523 -4.818 1.00 72.11 H new ATOM 0 HA3 GLY A 11 -19.741 10.742 -4.404 1.00 72.11 H new ATOM 123 N GLU A 12 -18.222 10.014 -6.657 1.00 11.44 N ATOM 124 CA GLU A 12 -17.751 10.161 -8.028 1.00 33.44 C ATOM 125 C GLU A 12 -18.169 8.965 -8.879 1.00 75.03 C ATOM 126 O GLU A 12 -18.401 9.093 -10.081 1.00 14.23 O ATOM 127 CB GLU A 12 -16.229 10.314 -8.056 1.00 51.55 C ATOM 128 CG GLU A 12 -15.701 11.333 -7.058 1.00 22.50 C ATOM 129 CD GLU A 12 -14.212 11.577 -7.206 1.00 22.11 C ATOM 130 OE1 GLU A 12 -13.425 10.829 -6.588 1.00 32.55 O ATOM 131 OE2 GLU A 12 -13.834 12.515 -7.939 1.00 45.34 O1- ATOM 0 H GLU A 12 -17.481 9.981 -5.957 1.00 11.44 H new ATOM 0 HA GLU A 12 -18.206 11.059 -8.446 1.00 33.44 H new ATOM 0 HB2 GLU A 12 -15.771 9.346 -7.851 1.00 51.55 H new ATOM 0 HB3 GLU A 12 -15.920 10.607 -9.059 1.00 51.55 H new ATOM 0 HG2 GLU A 12 -16.234 12.274 -7.189 1.00 22.50 H new ATOM 0 HG3 GLU A 12 -15.910 10.987 -6.046 1.00 22.50 H new ATOM 138 N LEU A 13 -18.259 7.801 -8.245 1.00 22.22 N ATOM 139 CA LEU A 13 -18.648 6.579 -8.943 1.00 15.21 C ATOM 140 C LEU A 13 -20.077 6.683 -9.468 1.00 41.44 C ATOM 141 O LEU A 13 -20.324 6.506 -10.660 1.00 30.52 O ATOM 142 CB LEU A 13 -18.523 5.374 -8.009 1.00 63.41 C ATOM 143 CG LEU A 13 -18.528 4.001 -8.681 1.00 64.23 C ATOM 144 CD1 LEU A 13 -17.416 3.908 -9.714 1.00 62.44 C ATOM 145 CD2 LEU A 13 -18.388 2.897 -7.643 1.00 13.22 C ATOM 0 H LEU A 13 -18.068 7.677 -7.251 1.00 22.22 H new ATOM 0 HA LEU A 13 -17.977 6.445 -9.792 1.00 15.21 H new ATOM 0 HB2 LEU A 13 -17.599 5.475 -7.440 1.00 63.41 H new ATOM 0 HB3 LEU A 13 -19.343 5.409 -7.292 1.00 63.41 H new ATOM 0 HG LEU A 13 -19.482 3.872 -9.192 1.00 64.23 H new ATOM 0 HD11 LEU A 13 -17.435 2.924 -10.182 1.00 62.44 H new ATOM 0 HD12 LEU A 13 -17.562 4.674 -10.475 1.00 62.44 H new ATOM 0 HD13 LEU A 13 -16.453 4.059 -9.226 1.00 62.44 H new ATOM 0 HD21 LEU A 13 -18.394 1.927 -8.140 1.00 13.22 H new ATOM 0 HD22 LEU A 13 -17.450 3.022 -7.103 1.00 13.22 H new ATOM 0 HD23 LEU A 13 -19.220 2.950 -6.941 1.00 13.22 H new ATOM 157 N ASP A 14 -21.012 6.973 -8.570 1.00 22.41 N ATOM 158 CA ASP A 14 -22.416 7.104 -8.943 1.00 60.53 C ATOM 159 C ASP A 14 -22.579 8.072 -10.111 1.00 54.33 C ATOM 160 O ASP A 14 -23.242 7.762 -11.100 1.00 21.44 O ATOM 161 CB ASP A 14 -23.241 7.582 -7.748 1.00 14.22 C ATOM 162 CG ASP A 14 -24.713 7.248 -7.891 1.00 51.51 C ATOM 163 OD1 ASP A 14 -25.186 7.130 -9.040 1.00 72.04 O1- ATOM 164 OD2 ASP A 14 -25.392 7.106 -6.851 1.00 61.31 O ATOM 0 H ASP A 14 -20.823 7.122 -7.579 1.00 22.41 H new ATOM 0 HA ASP A 14 -22.777 6.124 -9.254 1.00 60.53 H new ATOM 0 HB2 ASP A 14 -22.854 7.125 -6.837 1.00 14.22 H new ATOM 0 HB3 ASP A 14 -23.125 8.660 -7.638 1.00 14.22 H new ATOM 169 N LYS A 15 -21.971 9.247 -9.988 1.00 51.42 N ATOM 170 CA LYS A 15 -22.048 10.262 -11.032 1.00 55.43 C ATOM 171 C LYS A 15 -21.359 9.785 -12.307 1.00 53.22 C ATOM 172 O LYS A 15 -21.853 10.010 -13.411 1.00 3.34 O ATOM 173 CB LYS A 15 -21.408 11.566 -10.552 1.00 12.41 C ATOM 174 CG LYS A 15 -22.410 12.571 -10.007 1.00 52.33 C ATOM 175 CD LYS A 15 -22.484 12.517 -8.490 1.00 41.12 C ATOM 176 CE LYS A 15 -23.227 13.718 -7.926 1.00 15.00 C ATOM 177 NZ LYS A 15 -24.660 13.410 -7.662 1.00 51.22 N1+ ATOM 0 H LYS A 15 -21.419 9.520 -9.175 1.00 51.42 H new ATOM 0 HA LYS A 15 -23.100 10.440 -11.253 1.00 55.43 H new ATOM 0 HB2 LYS A 15 -20.676 11.338 -9.777 1.00 12.41 H new ATOM 0 HB3 LYS A 15 -20.864 12.020 -11.380 1.00 12.41 H new ATOM 0 HG2 LYS A 15 -22.128 13.575 -10.323 1.00 52.33 H new ATOM 0 HG3 LYS A 15 -23.395 12.369 -10.428 1.00 52.33 H new ATOM 0 HD2 LYS A 15 -22.985 11.600 -8.181 1.00 41.12 H new ATOM 0 HD3 LYS A 15 -21.476 12.484 -8.076 1.00 41.12 H new ATOM 0 HE2 LYS A 15 -22.748 14.040 -7.001 1.00 15.00 H new ATOM 0 HE3 LYS A 15 -23.157 14.550 -8.627 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 -25.132 14.254 -7.278 1.00 51.22 H new ATOM 0 HZ2 LYS A 15 -25.124 13.128 -8.549 1.00 51.22 H new ATOM 0 HZ3 LYS A 15 -24.727 12.633 -6.974 1.00 51.22 H new ATOM 191 N TRP A 16 -20.218 9.125 -12.146 1.00 51.41 N ATOM 192 CA TRP A 16 -19.463 8.615 -13.284 1.00 24.33 C ATOM 193 C TRP A 16 -20.334 7.719 -14.157 1.00 33.34 C ATOM 194 O TRP A 16 -20.459 7.943 -15.361 1.00 13.44 O ATOM 195 CB TRP A 16 -18.235 7.841 -12.802 1.00 61.51 C ATOM 196 CG TRP A 16 -17.487 7.163 -13.911 1.00 0.12 C ATOM 197 CD1 TRP A 16 -17.572 5.849 -14.273 1.00 33.42 C ATOM 198 CD2 TRP A 16 -16.540 7.767 -14.799 1.00 23.52 C ATOM 199 NE1 TRP A 16 -16.734 5.600 -15.334 1.00 65.42 N ATOM 200 CE2 TRP A 16 -16.091 6.760 -15.675 1.00 71.40 C ATOM 201 CE3 TRP A 16 -16.030 9.060 -14.941 1.00 75.30 C ATOM 202 CZ2 TRP A 16 -15.156 7.007 -16.676 1.00 35.32 C ATOM 203 CZ3 TRP A 16 -15.101 9.305 -15.935 1.00 63.40 C ATOM 204 CH2 TRP A 16 -14.672 8.283 -16.793 1.00 1.32 C ATOM 0 H TRP A 16 -19.795 8.931 -11.238 1.00 51.41 H new ATOM 0 HA TRP A 16 -19.136 9.466 -13.882 1.00 24.33 H new ATOM 0 HB2 TRP A 16 -17.563 8.526 -12.285 1.00 61.51 H new ATOM 0 HB3 TRP A 16 -18.549 7.093 -12.074 1.00 61.51 H new ATOM 0 HD1 TRP A 16 -18.204 5.114 -13.796 1.00 33.42 H new ATOM 0 HE1 TRP A 16 -16.611 4.697 -15.793 1.00 65.42 H new ATOM 0 HE3 TRP A 16 -16.356 9.854 -14.286 1.00 75.30 H new ATOM 0 HZ2 TRP A 16 -14.824 6.220 -17.337 1.00 35.32 H new ATOM 0 HZ3 TRP A 16 -14.699 10.301 -16.052 1.00 63.40 H new ATOM 0 HH2 TRP A 16 -13.946 8.506 -17.561 1.00 1.32 H new ATOM 215 N GLU A 17 -20.934 6.704 -13.545 1.00 52.45 N ATOM 216 CA GLU A 17 -21.793 5.775 -14.268 1.00 64.23 C ATOM 217 C GLU A 17 -22.952 6.511 -14.934 1.00 32.21 C ATOM 218 O GLU A 17 -23.500 6.052 -15.937 1.00 22.33 O ATOM 219 CB GLU A 17 -22.334 4.701 -13.321 1.00 73.41 C ATOM 220 CG GLU A 17 -21.286 3.692 -12.883 1.00 54.14 C ATOM 221 CD GLU A 17 -21.897 2.420 -12.328 1.00 73.13 C ATOM 222 OE1 GLU A 17 -22.933 2.512 -11.637 1.00 33.54 O ATOM 223 OE2 GLU A 17 -21.338 1.333 -12.584 1.00 4.21 O1- ATOM 0 H GLU A 17 -20.841 6.504 -12.549 1.00 52.45 H new ATOM 0 HA GLU A 17 -21.195 5.297 -15.044 1.00 64.23 H new ATOM 0 HB2 GLU A 17 -22.752 5.184 -12.438 1.00 73.41 H new ATOM 0 HB3 GLU A 17 -23.151 4.173 -13.813 1.00 73.41 H new ATOM 0 HG2 GLU A 17 -20.649 3.444 -13.732 1.00 54.14 H new ATOM 0 HG3 GLU A 17 -20.646 4.144 -12.125 1.00 54.14 H new ATOM 230 N LYS A 18 -23.320 7.655 -14.369 1.00 31.54 N ATOM 231 CA LYS A 18 -24.413 8.457 -14.907 1.00 35.04 C ATOM 232 C LYS A 18 -23.977 9.195 -16.169 1.00 53.41 C ATOM 233 O LYS A 18 -24.659 9.149 -17.193 1.00 2.14 O ATOM 234 CB LYS A 18 -24.899 9.461 -13.859 1.00 21.33 C ATOM 235 CG LYS A 18 -26.142 9.007 -13.113 1.00 42.21 C ATOM 236 CD LYS A 18 -27.353 9.849 -13.481 1.00 71.23 C ATOM 237 CE LYS A 18 -28.040 9.320 -14.731 1.00 70.11 C ATOM 238 NZ LYS A 18 -28.585 10.421 -15.572 1.00 40.42 N1+ ATOM 0 H LYS A 18 -22.878 8.048 -13.538 1.00 31.54 H new ATOM 0 HA LYS A 18 -25.231 7.785 -15.165 1.00 35.04 H new ATOM 0 HB2 LYS A 18 -24.099 9.640 -13.140 1.00 21.33 H new ATOM 0 HB3 LYS A 18 -25.106 10.413 -14.348 1.00 21.33 H new ATOM 0 HG2 LYS A 18 -26.343 7.960 -13.342 1.00 42.21 H new ATOM 0 HG3 LYS A 18 -25.966 9.071 -12.039 1.00 42.21 H new ATOM 0 HD2 LYS A 18 -28.059 9.855 -12.651 1.00 71.23 H new ATOM 0 HD3 LYS A 18 -27.044 10.882 -13.644 1.00 71.23 H new ATOM 0 HE2 LYS A 18 -27.330 8.734 -15.315 1.00 70.11 H new ATOM 0 HE3 LYS A 18 -28.849 8.648 -14.444 1.00 70.11 H new ATOM 0 HZ1 LYS A 18 -29.045 10.020 -16.414 1.00 40.42 H new ATOM 0 HZ2 LYS A 18 -29.281 10.965 -15.023 1.00 40.42 H new ATOM 0 HZ3 LYS A 18 -27.810 11.049 -15.867 1.00 40.42 H new ATOM 252 N ILE A 19 -22.837 9.873 -16.089 1.00 40.21 N ATOM 253 CA ILE A 19 -22.310 10.617 -17.225 1.00 62.45 C ATOM 254 C ILE A 19 -22.240 9.741 -18.472 1.00 12.41 C ATOM 255 O ILE A 19 -21.903 8.559 -18.395 1.00 11.21 O ATOM 256 CB ILE A 19 -20.907 11.179 -16.928 1.00 33.33 C ATOM 257 CG1 ILE A 19 -20.949 12.093 -15.702 1.00 42.14 C ATOM 258 CG2 ILE A 19 -20.371 11.931 -18.138 1.00 51.43 C ATOM 259 CD1 ILE A 19 -19.816 11.851 -14.729 1.00 22.13 C ATOM 0 H ILE A 19 -22.261 9.922 -15.249 1.00 40.21 H new ATOM 0 HA ILE A 19 -22.995 11.446 -17.404 1.00 62.45 H new ATOM 0 HB ILE A 19 -20.236 10.347 -16.715 1.00 33.33 H new ATOM 0 HG12 ILE A 19 -20.918 13.131 -16.032 1.00 42.14 H new ATOM 0 HG13 ILE A 19 -21.898 11.951 -15.185 1.00 42.14 H new ATOM 0 HG21 ILE A 19 -19.379 12.322 -17.913 1.00 51.43 H new ATOM 0 HG22 ILE A 19 -20.309 11.253 -18.990 1.00 51.43 H new ATOM 0 HG23 ILE A 19 -21.041 12.757 -18.379 1.00 51.43 H new ATOM 0 HD11 ILE A 19 -19.909 12.534 -13.885 1.00 22.13 H new ATOM 0 HD12 ILE A 19 -19.858 10.823 -14.370 1.00 22.13 H new ATOM 0 HD13 ILE A 19 -18.863 12.022 -15.230 1.00 22.13 H new ATOM 271 N ARG A 20 -22.560 10.329 -19.620 1.00 5.22 N ATOM 272 CA ARG A 20 -22.534 9.603 -20.884 1.00 61.44 C ATOM 273 C ARG A 20 -21.301 9.977 -21.700 1.00 71.44 C ATOM 274 O ARG A 20 -20.758 11.073 -21.559 1.00 14.51 O ATOM 275 CB ARG A 20 -23.800 9.893 -21.691 1.00 15.44 C ATOM 276 CG ARG A 20 -25.078 9.444 -21.001 1.00 60.12 C ATOM 277 CD ARG A 20 -26.224 10.408 -21.269 1.00 43.23 C ATOM 278 NE ARG A 20 -27.273 10.304 -20.257 1.00 22.13 N ATOM 279 CZ ARG A 20 -28.470 10.867 -20.380 1.00 62.22 C ATOM 280 NH1 ARG A 20 -28.768 11.569 -21.465 1.00 65.32 N1+ ATOM 281 NH2 ARG A 20 -29.372 10.727 -19.417 1.00 50.00 N ATOM 0 H ARG A 20 -22.840 11.306 -19.701 1.00 5.22 H new ATOM 0 HA ARG A 20 -22.491 8.537 -20.660 1.00 61.44 H new ATOM 0 HB2 ARG A 20 -23.859 10.964 -21.886 1.00 15.44 H new ATOM 0 HB3 ARG A 20 -23.726 9.397 -22.659 1.00 15.44 H new ATOM 0 HG2 ARG A 20 -25.350 8.448 -21.349 1.00 60.12 H new ATOM 0 HG3 ARG A 20 -24.907 9.370 -19.927 1.00 60.12 H new ATOM 0 HD2 ARG A 20 -25.842 11.429 -21.292 1.00 43.23 H new ATOM 0 HD3 ARG A 20 -26.647 10.204 -22.253 1.00 43.23 H new ATOM 0 HE ARG A 20 -27.076 9.770 -19.410 1.00 22.13 H new ATOM 0 HH11 ARG A 20 -28.077 11.678 -22.208 1.00 65.32 H new ATOM 0 HH12 ARG A 20 -29.688 12.000 -21.557 1.00 65.32 H new ATOM 0 HH21 ARG A 20 -29.147 10.187 -18.582 1.00 50.00 H new ATOM 0 HH22 ARG A 20 -30.291 11.160 -19.512 1.00 50.00 H new ATOM 295 N LEU A 21 -20.862 9.059 -22.555 1.00 3.43 N ATOM 296 CA LEU A 21 -19.692 9.291 -23.395 1.00 15.24 C ATOM 297 C LEU A 21 -20.008 10.292 -24.502 1.00 73.22 C ATOM 298 O LEU A 21 -19.165 11.109 -24.874 1.00 40.34 O ATOM 299 CB LEU A 21 -19.206 7.976 -24.004 1.00 5.52 C ATOM 300 CG LEU A 21 -18.951 6.834 -23.019 1.00 10.32 C ATOM 301 CD1 LEU A 21 -19.481 5.521 -23.574 1.00 50.00 C ATOM 302 CD2 LEU A 21 -17.467 6.722 -22.704 1.00 33.10 C ATOM 0 H LEU A 21 -21.299 8.147 -22.685 1.00 3.43 H new ATOM 0 HA LEU A 21 -18.902 9.706 -22.769 1.00 15.24 H new ATOM 0 HB2 LEU A 21 -19.944 7.642 -24.734 1.00 5.52 H new ATOM 0 HB3 LEU A 21 -18.283 8.171 -24.550 1.00 5.52 H new ATOM 0 HG LEU A 21 -19.483 7.054 -22.093 1.00 10.32 H new ATOM 0 HD11 LEU A 21 -19.290 4.720 -22.859 1.00 50.00 H new ATOM 0 HD12 LEU A 21 -20.554 5.606 -23.746 1.00 50.00 H new ATOM 0 HD13 LEU A 21 -18.979 5.295 -24.515 1.00 50.00 H new ATOM 0 HD21 LEU A 21 -17.305 5.904 -22.002 1.00 33.10 H new ATOM 0 HD22 LEU A 21 -16.914 6.527 -23.623 1.00 33.10 H new ATOM 0 HD23 LEU A 21 -17.118 7.655 -22.262 1.00 33.10 H new ATOM 314 N ARG A 22 -21.227 10.223 -25.025 1.00 33.11 N ATOM 315 CA ARG A 22 -21.654 11.123 -26.090 1.00 44.42 C ATOM 316 C ARG A 22 -23.041 11.689 -25.799 1.00 30.00 C ATOM 317 O ARG A 22 -23.889 11.038 -25.188 1.00 30.41 O ATOM 318 CB ARG A 22 -21.662 10.391 -27.433 1.00 53.21 C ATOM 319 CG ARG A 22 -22.328 9.026 -27.380 1.00 2.41 C ATOM 320 CD ARG A 22 -21.307 7.913 -27.199 1.00 34.14 C ATOM 321 NE ARG A 22 -21.584 6.772 -28.067 1.00 51.44 N ATOM 322 CZ ARG A 22 -21.320 6.756 -29.368 1.00 72.21 C ATOM 323 NH1 ARG A 22 -20.774 7.815 -29.950 1.00 30.33 N1+ ATOM 324 NH2 ARG A 22 -21.600 5.679 -30.091 1.00 43.45 N ATOM 0 H ARG A 22 -21.937 9.553 -24.729 1.00 33.11 H new ATOM 0 HA ARG A 22 -20.945 11.950 -26.139 1.00 44.42 H new ATOM 0 HB2 ARG A 22 -22.176 11.008 -28.170 1.00 53.21 H new ATOM 0 HB3 ARG A 22 -20.635 10.271 -27.778 1.00 53.21 H new ATOM 0 HG2 ARG A 22 -23.044 9.001 -26.558 1.00 2.41 H new ATOM 0 HG3 ARG A 22 -22.891 8.859 -28.298 1.00 2.41 H new ATOM 0 HD2 ARG A 22 -20.310 8.297 -27.412 1.00 34.14 H new ATOM 0 HD3 ARG A 22 -21.307 7.586 -26.159 1.00 34.14 H new ATOM 0 HE ARG A 22 -22.004 5.941 -27.651 1.00 51.44 H new ATOM 0 HH11 ARG A 22 -20.556 8.644 -29.398 1.00 30.33 H new ATOM 0 HH12 ARG A 22 -20.572 7.800 -30.950 1.00 30.33 H new ATOM 0 HH21 ARG A 22 -22.019 4.862 -29.647 1.00 43.45 H new ATOM 0 HH22 ARG A 22 -21.396 5.669 -31.090 1.00 43.45 H new ATOM 338 N PRO A 23 -23.279 12.931 -26.246 1.00 20.24 N ATOM 339 CA PRO A 23 -24.561 13.613 -26.047 1.00 43.30 C ATOM 340 C PRO A 23 -25.683 12.994 -26.875 1.00 74.13 C ATOM 341 O PRO A 23 -26.838 12.967 -26.454 1.00 14.20 O ATOM 342 CB PRO A 23 -24.280 15.043 -26.512 1.00 74.13 C ATOM 343 CG PRO A 23 -23.153 14.913 -27.478 1.00 43.33 C ATOM 344 CD PRO A 23 -22.315 13.766 -26.983 1.00 61.14 C ATOM 0 HA PRO A 23 -24.901 13.546 -25.013 1.00 43.30 H new ATOM 0 HB2 PRO A 23 -25.157 15.485 -26.984 1.00 74.13 H new ATOM 0 HB3 PRO A 23 -24.011 15.686 -25.674 1.00 74.13 H new ATOM 0 HG2 PRO A 23 -23.522 14.721 -28.485 1.00 43.33 H new ATOM 0 HG3 PRO A 23 -22.569 15.832 -27.523 1.00 43.33 H new ATOM 0 HD2 PRO A 23 -21.857 13.219 -27.807 1.00 61.14 H new ATOM 0 HD3 PRO A 23 -21.505 14.109 -26.339 1.00 61.14 H new ATOM 352 N GLY A 24 -25.332 12.496 -28.057 1.00 65.21 N ATOM 353 CA GLY A 24 -26.321 11.883 -28.927 1.00 55.14 C ATOM 354 C GLY A 24 -26.551 10.421 -28.603 1.00 50.43 C ATOM 355 O GLY A 24 -27.692 9.971 -28.508 1.00 33.14 O ATOM 0 H GLY A 24 -24.382 12.506 -28.428 1.00 65.21 H new ATOM 0 HA2 GLY A 24 -27.263 12.424 -28.839 1.00 55.14 H new ATOM 0 HA3 GLY A 24 -25.996 11.976 -29.963 1.00 55.14 H new ATOM 359 N GLY A 25 -25.463 9.675 -28.432 1.00 23.13 N ATOM 360 CA GLY A 25 -25.574 8.262 -28.120 1.00 2.42 C ATOM 361 C GLY A 25 -26.403 8.006 -26.877 1.00 33.20 C ATOM 362 O GLY A 25 -26.768 8.939 -26.161 1.00 21.33 O ATOM 0 H GLY A 25 -24.507 10.024 -28.504 1.00 23.13 H new ATOM 0 HA2 GLY A 25 -26.022 7.741 -28.966 1.00 2.42 H new ATOM 0 HA3 GLY A 25 -24.577 7.845 -27.980 1.00 2.42 H new ATOM 366 N LYS A 26 -26.703 6.738 -26.619 1.00 73.34 N ATOM 367 CA LYS A 26 -27.495 6.360 -25.454 1.00 71.24 C ATOM 368 C LYS A 26 -26.689 5.467 -24.515 1.00 12.22 C ATOM 369 O LYS A 26 -27.251 4.671 -23.763 1.00 22.42 O ATOM 370 CB LYS A 26 -28.770 5.637 -25.892 1.00 13.10 C ATOM 371 CG LYS A 26 -30.021 6.130 -25.184 1.00 62.24 C ATOM 372 CD LYS A 26 -31.013 5.001 -24.957 1.00 61.11 C ATOM 373 CE LYS A 26 -32.002 5.343 -23.852 1.00 32.52 C ATOM 374 NZ LYS A 26 -31.734 4.569 -22.609 1.00 74.21 N1+ ATOM 0 H LYS A 26 -26.410 5.954 -27.201 1.00 73.34 H new ATOM 0 HA LYS A 26 -27.766 7.270 -24.919 1.00 71.24 H new ATOM 0 HB2 LYS A 26 -28.898 5.762 -26.967 1.00 13.10 H new ATOM 0 HB3 LYS A 26 -28.654 4.569 -25.707 1.00 13.10 H new ATOM 0 HG2 LYS A 26 -29.748 6.574 -24.227 1.00 62.24 H new ATOM 0 HG3 LYS A 26 -30.491 6.915 -25.777 1.00 62.24 H new ATOM 0 HD2 LYS A 26 -31.554 4.799 -25.881 1.00 61.11 H new ATOM 0 HD3 LYS A 26 -30.475 4.089 -24.696 1.00 61.11 H new ATOM 0 HE2 LYS A 26 -31.949 6.410 -23.634 1.00 32.52 H new ATOM 0 HE3 LYS A 26 -33.016 5.138 -24.196 1.00 32.52 H new ATOM 0 HZ1 LYS A 26 -32.429 4.830 -21.881 1.00 74.21 H new ATOM 0 HZ2 LYS A 26 -31.810 3.552 -22.810 1.00 74.21 H new ATOM 0 HZ3 LYS A 26 -30.776 4.784 -22.266 1.00 74.21 H new ATOM 388 N LYS A 27 -25.368 5.607 -24.562 1.00 53.22 N ATOM 389 CA LYS A 27 -24.484 4.816 -23.714 1.00 4.11 C ATOM 390 C LYS A 27 -23.966 5.646 -22.544 1.00 74.41 C ATOM 391 O LYS A 27 -23.809 6.862 -22.656 1.00 1.15 O ATOM 392 CB LYS A 27 -23.308 4.275 -24.530 1.00 35.24 C ATOM 393 CG LYS A 27 -23.596 2.946 -25.205 1.00 45.21 C ATOM 394 CD LYS A 27 -23.075 1.779 -24.382 1.00 11.22 C ATOM 395 CE LYS A 27 -21.579 1.585 -24.574 1.00 52.40 C ATOM 396 NZ LYS A 27 -21.229 0.156 -24.801 1.00 23.23 N1+ ATOM 0 H LYS A 27 -24.886 6.261 -25.179 1.00 53.22 H new ATOM 0 HA LYS A 27 -25.057 3.978 -23.317 1.00 4.11 H new ATOM 0 HB2 LYS A 27 -23.037 5.008 -25.290 1.00 35.24 H new ATOM 0 HB3 LYS A 27 -22.444 4.161 -23.875 1.00 35.24 H new ATOM 0 HG2 LYS A 27 -24.670 2.837 -25.353 1.00 45.21 H new ATOM 0 HG3 LYS A 27 -23.135 2.931 -26.193 1.00 45.21 H new ATOM 0 HD2 LYS A 27 -23.288 1.953 -23.327 1.00 11.22 H new ATOM 0 HD3 LYS A 27 -23.601 0.868 -24.667 1.00 11.22 H new ATOM 0 HE2 LYS A 27 -21.242 2.181 -25.422 1.00 52.40 H new ATOM 0 HE3 LYS A 27 -21.049 1.953 -23.695 1.00 52.40 H new ATOM 0 HZ1 LYS A 27 -20.201 0.066 -24.927 1.00 23.23 H new ATOM 0 HZ2 LYS A 27 -21.528 -0.409 -23.981 1.00 23.23 H new ATOM 0 HZ3 LYS A 27 -21.714 -0.189 -25.654 1.00 23.23 H new ATOM 410 N GLN A 28 -23.701 4.982 -21.424 1.00 72.25 N ATOM 411 CA GLN A 28 -23.199 5.660 -20.234 1.00 24.11 C ATOM 412 C GLN A 28 -21.737 5.307 -19.982 1.00 22.40 C ATOM 413 O GLN A 28 -21.158 4.478 -20.685 1.00 20.33 O ATOM 414 CB GLN A 28 -24.043 5.287 -19.015 1.00 14.33 C ATOM 415 CG GLN A 28 -25.540 5.329 -19.275 1.00 13.24 C ATOM 416 CD GLN A 28 -26.356 5.297 -17.998 1.00 24.11 C ATOM 417 OE1 GLN A 28 -25.808 5.205 -16.900 1.00 42.42 O ATOM 418 NE2 GLN A 28 -27.675 5.371 -18.136 1.00 51.32 N ATOM 0 H GLN A 28 -23.825 3.975 -21.315 1.00 72.25 H new ATOM 0 HA GLN A 28 -23.270 6.735 -20.402 1.00 24.11 H new ATOM 0 HB2 GLN A 28 -23.768 4.285 -18.686 1.00 14.33 H new ATOM 0 HB3 GLN A 28 -23.806 5.967 -18.197 1.00 14.33 H new ATOM 0 HG2 GLN A 28 -25.782 6.233 -19.834 1.00 13.24 H new ATOM 0 HG3 GLN A 28 -25.820 4.482 -19.902 1.00 13.24 H new ATOM 0 HE21 GLN A 28 -28.087 5.446 -19.066 1.00 51.32 H new ATOM 0 HE22 GLN A 28 -28.276 5.353 -17.312 1.00 51.32 H new ATOM 427 N TYR A 29 -21.146 5.941 -18.976 1.00 20.30 N ATOM 428 CA TYR A 29 -19.750 5.696 -18.633 1.00 63.54 C ATOM 429 C TYR A 29 -19.620 4.489 -17.710 1.00 52.34 C ATOM 430 O TYR A 29 -20.524 4.188 -16.930 1.00 63.44 O ATOM 431 CB TYR A 29 -19.143 6.931 -17.966 1.00 61.04 C ATOM 432 CG TYR A 29 -18.327 7.789 -18.906 1.00 25.52 C ATOM 433 CD1 TYR A 29 -17.035 7.426 -19.266 1.00 61.44 C ATOM 434 CD2 TYR A 29 -18.849 8.962 -19.436 1.00 1.24 C ATOM 435 CE1 TYR A 29 -16.287 8.207 -20.125 1.00 35.20 C ATOM 436 CE2 TYR A 29 -18.108 9.748 -20.297 1.00 14.33 C ATOM 437 CZ TYR A 29 -16.828 9.367 -20.638 1.00 20.23 C ATOM 438 OH TYR A 29 -16.086 10.149 -21.494 1.00 22.12 O ATOM 0 H TYR A 29 -21.612 6.628 -18.384 1.00 20.30 H new ATOM 0 HA TYR A 29 -19.207 5.486 -19.554 1.00 63.54 H new ATOM 0 HB2 TYR A 29 -19.945 7.535 -17.541 1.00 61.04 H new ATOM 0 HB3 TYR A 29 -18.510 6.612 -17.138 1.00 61.04 H new ATOM 0 HD1 TYR A 29 -16.608 6.518 -18.867 1.00 61.44 H new ATOM 0 HD2 TYR A 29 -19.851 9.265 -19.170 1.00 1.24 H new ATOM 0 HE1 TYR A 29 -15.284 7.911 -20.394 1.00 35.20 H new ATOM 0 HE2 TYR A 29 -18.530 10.657 -20.701 1.00 14.33 H new ATOM 0 HH TYR A 29 -16.678 10.776 -21.960 1.00 22.12 H new ATOM 448 N LYS A 30 -18.487 3.801 -17.801 1.00 23.41 N ATOM 449 CA LYS A 30 -18.235 2.627 -16.974 1.00 60.14 C ATOM 450 C LYS A 30 -16.743 2.463 -16.703 1.00 71.24 C ATOM 451 O LYS A 30 -15.911 3.122 -17.329 1.00 34.23 O ATOM 452 CB LYS A 30 -18.781 1.370 -17.656 1.00 10.42 C ATOM 453 CG LYS A 30 -19.978 0.764 -16.943 1.00 33.34 C ATOM 454 CD LYS A 30 -20.452 -0.506 -17.630 1.00 75.50 C ATOM 455 CE LYS A 30 -21.121 -1.455 -16.649 1.00 74.32 C ATOM 456 NZ LYS A 30 -22.569 -1.151 -16.483 1.00 1.34 N1+ ATOM 0 H LYS A 30 -17.728 4.037 -18.440 1.00 23.41 H new ATOM 0 HA LYS A 30 -18.747 2.768 -16.022 1.00 60.14 H new ATOM 0 HB2 LYS A 30 -19.064 1.616 -18.680 1.00 10.42 H new ATOM 0 HB3 LYS A 30 -17.988 0.625 -17.715 1.00 10.42 H new ATOM 0 HG2 LYS A 30 -19.713 0.542 -15.909 1.00 33.34 H new ATOM 0 HG3 LYS A 30 -20.791 1.489 -16.915 1.00 33.34 H new ATOM 0 HD2 LYS A 30 -21.152 -0.251 -18.426 1.00 75.50 H new ATOM 0 HD3 LYS A 30 -19.604 -1.005 -18.099 1.00 75.50 H new ATOM 0 HE2 LYS A 30 -21.003 -2.481 -16.998 1.00 74.32 H new ATOM 0 HE3 LYS A 30 -20.623 -1.388 -15.682 1.00 74.32 H new ATOM 0 HZ1 LYS A 30 -22.989 -1.820 -15.806 1.00 1.34 H new ATOM 0 HZ2 LYS A 30 -22.681 -0.181 -16.126 1.00 1.34 H new ATOM 0 HZ3 LYS A 30 -23.050 -1.240 -17.401 1.00 1.34 H new ATOM 470 N LEU A 31 -16.410 1.579 -15.769 1.00 75.54 N ATOM 471 CA LEU A 31 -15.015 1.327 -15.417 1.00 3.32 C ATOM 472 C LEU A 31 -14.197 0.970 -16.654 1.00 1.41 C ATOM 473 O LEU A 31 -12.990 1.210 -16.703 1.00 21.02 O ATOM 474 CB LEU A 31 -14.925 0.198 -14.389 1.00 11.31 C ATOM 475 CG LEU A 31 -15.023 0.618 -12.921 1.00 23.31 C ATOM 476 CD1 LEU A 31 -13.817 1.456 -12.525 1.00 2.05 C ATOM 477 CD2 LEU A 31 -16.314 1.384 -12.670 1.00 13.21 C ATOM 0 H LEU A 31 -17.085 1.025 -15.242 1.00 75.54 H new ATOM 0 HA LEU A 31 -14.604 2.239 -14.984 1.00 3.32 H new ATOM 0 HB2 LEU A 31 -15.720 -0.518 -14.595 1.00 11.31 H new ATOM 0 HB3 LEU A 31 -13.980 -0.325 -14.534 1.00 11.31 H new ATOM 0 HG LEU A 31 -15.033 -0.281 -12.305 1.00 23.31 H new ATOM 0 HD11 LEU A 31 -13.903 1.746 -11.478 1.00 2.05 H new ATOM 0 HD12 LEU A 31 -12.907 0.873 -12.666 1.00 2.05 H new ATOM 0 HD13 LEU A 31 -13.775 2.350 -13.147 1.00 2.05 H new ATOM 0 HD21 LEU A 31 -16.367 1.675 -11.621 1.00 13.21 H new ATOM 0 HD22 LEU A 31 -16.335 2.277 -13.295 1.00 13.21 H new ATOM 0 HD23 LEU A 31 -17.166 0.750 -12.914 1.00 13.21 H new ATOM 489 N LYS A 32 -14.861 0.397 -17.652 1.00 51.51 N ATOM 490 CA LYS A 32 -14.197 0.010 -18.890 1.00 32.14 C ATOM 491 C LYS A 32 -13.407 1.178 -19.472 1.00 1.31 C ATOM 492 O LYS A 32 -12.349 0.986 -20.073 1.00 21.44 O ATOM 493 CB LYS A 32 -15.226 -0.482 -19.911 1.00 34.31 C ATOM 494 CG LYS A 32 -15.329 -1.996 -19.989 1.00 35.23 C ATOM 495 CD LYS A 32 -16.127 -2.560 -18.826 1.00 73.10 C ATOM 496 CE LYS A 32 -17.452 -3.145 -19.290 1.00 24.33 C ATOM 497 NZ LYS A 32 -17.428 -4.634 -19.298 1.00 5.53 N1+ ATOM 0 H LYS A 32 -15.860 0.190 -17.627 1.00 51.51 H new ATOM 0 HA LYS A 32 -13.502 -0.799 -18.663 1.00 32.14 H new ATOM 0 HB2 LYS A 32 -16.203 -0.072 -19.656 1.00 34.31 H new ATOM 0 HB3 LYS A 32 -14.964 -0.093 -20.895 1.00 34.31 H new ATOM 0 HG2 LYS A 32 -15.802 -2.282 -20.929 1.00 35.23 H new ATOM 0 HG3 LYS A 32 -14.329 -2.430 -19.990 1.00 35.23 H new ATOM 0 HD2 LYS A 32 -15.544 -3.332 -18.323 1.00 73.10 H new ATOM 0 HD3 LYS A 32 -16.312 -1.773 -18.095 1.00 73.10 H new ATOM 0 HE2 LYS A 32 -18.251 -2.798 -18.635 1.00 24.33 H new ATOM 0 HE3 LYS A 32 -17.679 -2.780 -20.292 1.00 24.33 H new ATOM 0 HZ1 LYS A 32 -18.349 -4.994 -19.620 1.00 5.53 H new ATOM 0 HZ2 LYS A 32 -16.682 -4.966 -19.942 1.00 5.53 H new ATOM 0 HZ3 LYS A 32 -17.236 -4.983 -18.337 1.00 5.53 H new ATOM 511 N HIS A 33 -13.925 2.388 -19.287 1.00 42.02 N ATOM 512 CA HIS A 33 -13.266 3.587 -19.791 1.00 32.15 C ATOM 513 C HIS A 33 -12.164 4.043 -18.839 1.00 62.14 C ATOM 514 O HIS A 33 -11.176 4.585 -19.335 1.00 43.02 O ATOM 515 CB HIS A 33 -14.284 4.712 -19.986 1.00 3.42 C ATOM 516 CG HIS A 33 -15.528 4.277 -20.697 1.00 42.01 C ATOM 517 ND1 HIS A 33 -16.786 4.375 -20.142 1.00 13.32 N ATOM 518 CD2 HIS A 33 -15.703 3.738 -21.926 1.00 3.32 C ATOM 519 CE1 HIS A 33 -17.681 3.917 -20.998 1.00 24.52 C ATOM 520 NE2 HIS A 33 -17.049 3.524 -22.090 1.00 64.21 N ATOM 0 H HIS A 33 -14.799 2.564 -18.792 1.00 42.02 H new ATOM 0 HA HIS A 33 -12.814 3.345 -20.753 1.00 32.15 H new ATOM 0 HB2 HIS A 33 -14.555 5.118 -19.012 1.00 3.42 H new ATOM 0 HB3 HIS A 33 -13.817 5.520 -20.549 1.00 3.42 H new ATOM 0 HD2 HIS A 33 -14.927 3.517 -22.644 1.00 3.32 H new ATOM 0 HE1 HIS A 33 -18.747 3.871 -20.834 1.00 24.52 H new ATOM 0 HE2 HIS A 33 -17.490 3.126 -22.920 1.00 64.21 H new ATOM 528 N ILE A 34 -12.302 3.845 -17.532 1.00 14.34 N ATOM 529 CA ILE A 34 -11.276 4.262 -16.584 1.00 63.30 C ATOM 530 C ILE A 34 -10.048 3.362 -16.673 1.00 51.42 C ATOM 531 O ILE A 34 -8.914 3.827 -16.553 1.00 44.45 O ATOM 532 CB ILE A 34 -11.806 4.248 -15.138 1.00 22.41 C ATOM 533 CG1 ILE A 34 -13.026 5.163 -15.011 1.00 50.21 C ATOM 534 CG2 ILE A 34 -10.713 4.674 -14.169 1.00 30.12 C ATOM 535 CD1 ILE A 34 -13.849 4.903 -13.768 1.00 61.14 C ATOM 0 H ILE A 34 -13.114 3.399 -17.106 1.00 14.34 H new ATOM 0 HA ILE A 34 -10.996 5.282 -16.849 1.00 63.30 H new ATOM 0 HB ILE A 34 -12.110 3.232 -14.887 1.00 22.41 H new ATOM 0 HG12 ILE A 34 -12.693 6.201 -15.006 1.00 50.21 H new ATOM 0 HG13 ILE A 34 -13.659 5.036 -15.889 1.00 50.21 H new ATOM 0 HG21 ILE A 34 -11.103 4.659 -13.151 1.00 30.12 H new ATOM 0 HG22 ILE A 34 -9.871 3.986 -14.245 1.00 30.12 H new ATOM 0 HG23 ILE A 34 -10.381 5.683 -14.416 1.00 30.12 H new ATOM 0 HD11 ILE A 34 -14.697 5.587 -13.743 1.00 61.14 H new ATOM 0 HD12 ILE A 34 -14.212 3.875 -13.780 1.00 61.14 H new ATOM 0 HD13 ILE A 34 -13.231 5.059 -12.884 1.00 61.14 H new ATOM 547 N VAL A 35 -10.281 2.071 -16.885 1.00 23.44 N ATOM 548 CA VAL A 35 -9.195 1.104 -16.993 1.00 14.50 C ATOM 549 C VAL A 35 -8.538 1.168 -18.367 1.00 25.42 C ATOM 550 O VAL A 35 -7.319 1.053 -18.489 1.00 34.15 O ATOM 551 CB VAL A 35 -9.692 -0.331 -16.739 1.00 50.31 C ATOM 552 CG1 VAL A 35 -8.551 -1.325 -16.885 1.00 64.03 C ATOM 553 CG2 VAL A 35 -10.329 -0.437 -15.361 1.00 23.35 C ATOM 0 H VAL A 35 -11.213 1.670 -16.986 1.00 23.44 H new ATOM 0 HA VAL A 35 -8.462 1.365 -16.230 1.00 14.50 H new ATOM 0 HB VAL A 35 -10.450 -0.572 -17.485 1.00 50.31 H new ATOM 0 HG11 VAL A 35 -8.921 -2.334 -16.702 1.00 64.03 H new ATOM 0 HG12 VAL A 35 -8.144 -1.266 -17.894 1.00 64.03 H new ATOM 0 HG13 VAL A 35 -7.769 -1.089 -16.164 1.00 64.03 H new ATOM 0 HG21 VAL A 35 -10.675 -1.458 -15.198 1.00 23.35 H new ATOM 0 HG22 VAL A 35 -9.594 -0.177 -14.599 1.00 23.35 H new ATOM 0 HG23 VAL A 35 -11.175 0.247 -15.298 1.00 23.35 H new ATOM 563 N TRP A 36 -9.355 1.349 -19.399 1.00 61.21 N ATOM 564 CA TRP A 36 -8.853 1.427 -20.767 1.00 44.31 C ATOM 565 C TRP A 36 -7.929 2.627 -20.939 1.00 41.11 C ATOM 566 O TRP A 36 -6.845 2.510 -21.509 1.00 34.01 O ATOM 567 CB TRP A 36 -10.017 1.517 -21.754 1.00 24.24 C ATOM 568 CG TRP A 36 -9.578 1.725 -23.172 1.00 51.21 C ATOM 569 CD1 TRP A 36 -9.215 0.760 -24.068 1.00 52.05 C ATOM 570 CD2 TRP A 36 -9.455 2.976 -23.856 1.00 14.04 C ATOM 571 NE1 TRP A 36 -8.872 1.337 -25.267 1.00 21.24 N ATOM 572 CE2 TRP A 36 -9.013 2.696 -25.164 1.00 42.14 C ATOM 573 CE3 TRP A 36 -9.678 4.308 -23.492 1.00 61.24 C ATOM 574 CZ2 TRP A 36 -8.788 3.697 -26.105 1.00 44.42 C ATOM 575 CZ3 TRP A 36 -9.455 5.300 -24.428 1.00 62.12 C ATOM 576 CH2 TRP A 36 -9.015 4.990 -25.721 1.00 34.53 C ATOM 0 H TRP A 36 -10.367 1.444 -19.315 1.00 61.21 H new ATOM 0 HA TRP A 36 -8.282 0.521 -20.972 1.00 44.31 H new ATOM 0 HB2 TRP A 36 -10.606 0.602 -21.694 1.00 24.24 H new ATOM 0 HB3 TRP A 36 -10.671 2.338 -21.460 1.00 24.24 H new ATOM 0 HD1 TRP A 36 -9.200 -0.300 -23.864 1.00 52.05 H new ATOM 0 HE1 TRP A 36 -8.562 0.835 -26.099 1.00 21.24 H new ATOM 0 HE3 TRP A 36 -10.018 4.557 -22.498 1.00 61.24 H new ATOM 0 HZ2 TRP A 36 -8.447 3.461 -27.102 1.00 44.42 H new ATOM 0 HZ3 TRP A 36 -9.623 6.332 -24.158 1.00 62.12 H new ATOM 0 HH2 TRP A 36 -8.852 5.788 -26.430 1.00 34.53 H new ATOM 587 N ALA A 37 -8.365 3.780 -20.443 1.00 33.32 N ATOM 588 CA ALA A 37 -7.575 5.002 -20.542 1.00 65.11 C ATOM 589 C ALA A 37 -6.270 4.875 -19.762 1.00 11.45 C ATOM 590 O ALA A 37 -5.278 5.528 -20.085 1.00 13.03 O ATOM 591 CB ALA A 37 -8.379 6.192 -20.040 1.00 44.21 C ATOM 0 H ALA A 37 -9.261 3.894 -19.969 1.00 33.32 H new ATOM 0 HA ALA A 37 -7.327 5.162 -21.591 1.00 65.11 H new ATOM 0 HB1 ALA A 37 -7.777 7.097 -20.120 1.00 44.21 H new ATOM 0 HB2 ALA A 37 -9.281 6.302 -20.642 1.00 44.21 H new ATOM 0 HB3 ALA A 37 -8.656 6.031 -18.998 1.00 44.21 H new ATOM 597 N SER A 38 -6.279 4.033 -18.735 1.00 25.02 N ATOM 598 CA SER A 38 -5.098 3.825 -17.906 1.00 51.30 C ATOM 599 C SER A 38 -4.000 3.115 -18.694 1.00 4.22 C ATOM 600 O SER A 38 -2.822 3.454 -18.580 1.00 24.53 O ATOM 601 CB SER A 38 -5.458 3.009 -16.663 1.00 13.41 C ATOM 602 OG SER A 38 -6.388 3.703 -15.850 1.00 1.24 O ATOM 0 H SER A 38 -7.092 3.483 -18.456 1.00 25.02 H new ATOM 0 HA SER A 38 -4.726 4.801 -17.595 1.00 51.30 H new ATOM 0 HB2 SER A 38 -5.878 2.049 -16.963 1.00 13.41 H new ATOM 0 HB3 SER A 38 -4.556 2.797 -16.089 1.00 13.41 H new ATOM 0 HG SER A 38 -7.296 3.400 -16.060 1.00 1.24 H new ATOM 608 N ARG A 39 -4.397 2.128 -19.490 1.00 74.52 N ATOM 609 CA ARG A 39 -3.448 1.369 -20.296 1.00 74.23 C ATOM 610 C ARG A 39 -2.865 2.235 -21.410 1.00 10.02 C ATOM 611 O ARG A 39 -1.660 2.217 -21.656 1.00 54.30 O ATOM 612 CB ARG A 39 -4.127 0.137 -20.896 1.00 43.20 C ATOM 613 CG ARG A 39 -3.149 -0.913 -21.400 1.00 54.41 C ATOM 614 CD ARG A 39 -3.787 -2.292 -21.445 1.00 41.13 C ATOM 615 NE ARG A 39 -3.073 -3.253 -20.609 1.00 64.33 N ATOM 616 CZ ARG A 39 -3.453 -4.516 -20.451 1.00 61.21 C ATOM 617 NH1 ARG A 39 -4.536 -4.967 -21.070 1.00 4.11 N1+ ATOM 618 NH2 ARG A 39 -2.751 -5.330 -19.674 1.00 62.41 N ATOM 0 H ARG A 39 -5.368 1.835 -19.594 1.00 74.52 H new ATOM 0 HA ARG A 39 -2.634 1.047 -19.646 1.00 74.23 H new ATOM 0 HB2 ARG A 39 -4.774 -0.313 -20.143 1.00 43.20 H new ATOM 0 HB3 ARG A 39 -4.767 0.451 -21.721 1.00 43.20 H new ATOM 0 HG2 ARG A 39 -2.801 -0.639 -22.396 1.00 54.41 H new ATOM 0 HG3 ARG A 39 -2.273 -0.937 -20.752 1.00 54.41 H new ATOM 0 HD2 ARG A 39 -4.823 -2.223 -21.114 1.00 41.13 H new ATOM 0 HD3 ARG A 39 -3.805 -2.650 -22.474 1.00 41.13 H new ATOM 0 HE ARG A 39 -2.236 -2.937 -20.119 1.00 64.33 H new ATOM 0 HH11 ARG A 39 -5.078 -4.344 -21.668 1.00 4.11 H new ATOM 0 HH12 ARG A 39 -4.827 -5.937 -20.948 1.00 4.11 H new ATOM 0 HH21 ARG A 39 -1.918 -4.987 -19.196 1.00 62.41 H new ATOM 0 HH22 ARG A 39 -3.044 -6.299 -19.554 1.00 62.41 H new ATOM 632 N GLU A 40 -3.731 2.990 -22.080 1.00 11.33 N ATOM 633 CA GLU A 40 -3.302 3.861 -23.168 1.00 21.01 C ATOM 634 C GLU A 40 -2.464 5.021 -22.638 1.00 31.10 C ATOM 635 O GLU A 40 -1.630 5.577 -23.354 1.00 53.22 O ATOM 636 CB GLU A 40 -4.515 4.400 -23.928 1.00 23.03 C ATOM 637 CG GLU A 40 -4.302 4.489 -25.430 1.00 13.23 C ATOM 638 CD GLU A 40 -4.381 3.137 -26.112 1.00 54.40 C ATOM 639 OE1 GLU A 40 -5.390 2.429 -25.909 1.00 70.24 O ATOM 640 OE2 GLU A 40 -3.435 2.787 -26.847 1.00 41.22 O1- ATOM 0 H GLU A 40 -4.733 3.016 -21.888 1.00 11.33 H new ATOM 0 HA GLU A 40 -2.687 3.273 -23.849 1.00 21.01 H new ATOM 0 HB2 GLU A 40 -5.373 3.758 -23.729 1.00 23.03 H new ATOM 0 HB3 GLU A 40 -4.762 5.390 -23.545 1.00 23.03 H new ATOM 0 HG2 GLU A 40 -5.051 5.153 -25.861 1.00 13.23 H new ATOM 0 HG3 GLU A 40 -3.328 4.936 -25.629 1.00 13.23 H new ATOM 647 N LEU A 41 -2.690 5.381 -21.379 1.00 25.12 N ATOM 648 CA LEU A 41 -1.957 6.474 -20.752 1.00 33.51 C ATOM 649 C LEU A 41 -0.489 6.106 -20.558 1.00 10.15 C ATOM 650 O LEU A 41 0.404 6.812 -21.024 1.00 31.21 O ATOM 651 CB LEU A 41 -2.588 6.831 -19.405 1.00 20.20 C ATOM 652 CG LEU A 41 -3.578 7.996 -19.415 1.00 44.14 C ATOM 653 CD1 LEU A 41 -4.165 8.210 -18.028 1.00 71.44 C ATOM 654 CD2 LEU A 41 -2.904 9.266 -19.912 1.00 71.31 C ATOM 0 H LEU A 41 -3.376 4.931 -20.773 1.00 25.12 H new ATOM 0 HA LEU A 41 -2.010 7.340 -21.412 1.00 33.51 H new ATOM 0 HB2 LEU A 41 -3.100 5.949 -19.021 1.00 20.20 H new ATOM 0 HB3 LEU A 41 -1.788 7.066 -18.703 1.00 20.20 H new ATOM 0 HG LEU A 41 -4.391 7.750 -20.098 1.00 44.14 H new ATOM 0 HD11 LEU A 41 -4.867 9.043 -18.055 1.00 71.44 H new ATOM 0 HD12 LEU A 41 -4.686 7.307 -17.710 1.00 71.44 H new ATOM 0 HD13 LEU A 41 -3.363 8.434 -17.324 1.00 71.44 H new ATOM 0 HD21 LEU A 41 -3.624 10.084 -19.912 1.00 71.31 H new ATOM 0 HD22 LEU A 41 -2.071 9.516 -19.256 1.00 71.31 H new ATOM 0 HD23 LEU A 41 -2.533 9.109 -20.925 1.00 71.31 H new ATOM 666 N GLU A 42 -0.250 4.994 -19.870 1.00 11.13 N ATOM 667 CA GLU A 42 1.110 4.532 -19.617 1.00 10.32 C ATOM 668 C GLU A 42 1.889 4.394 -20.920 1.00 23.42 C ATOM 669 O GLU A 42 3.115 4.506 -20.939 1.00 53.32 O ATOM 670 CB GLU A 42 1.086 3.192 -18.878 1.00 52.31 C ATOM 671 CG GLU A 42 1.774 3.231 -17.524 1.00 3.51 C ATOM 672 CD GLU A 42 1.375 2.070 -16.633 1.00 74.34 C ATOM 673 OE1 GLU A 42 0.784 1.100 -17.152 1.00 52.20 O1- ATOM 674 OE2 GLU A 42 1.657 2.131 -15.418 1.00 41.13 O ATOM 0 H GLU A 42 -0.979 4.397 -19.479 1.00 11.13 H new ATOM 0 HA GLU A 42 1.609 5.274 -18.994 1.00 10.32 H new ATOM 0 HB2 GLU A 42 0.050 2.881 -18.741 1.00 52.31 H new ATOM 0 HB3 GLU A 42 1.567 2.436 -19.499 1.00 52.31 H new ATOM 0 HG2 GLU A 42 2.854 3.218 -17.669 1.00 3.51 H new ATOM 0 HG3 GLU A 42 1.531 4.168 -17.024 1.00 3.51 H new ATOM 681 N ARG A 43 1.169 4.147 -22.010 1.00 1.31 N ATOM 682 CA ARG A 43 1.792 3.991 -23.319 1.00 34.22 C ATOM 683 C ARG A 43 2.395 5.310 -23.795 1.00 61.32 C ATOM 684 O ARG A 43 3.373 5.323 -24.543 1.00 53.51 O ATOM 685 CB ARG A 43 0.769 3.487 -24.339 1.00 12.44 C ATOM 686 CG ARG A 43 0.994 2.047 -24.766 1.00 23.23 C ATOM 687 CD ARG A 43 -0.321 1.346 -25.073 1.00 61.42 C ATOM 688 NE ARG A 43 -0.330 -0.034 -24.593 1.00 51.00 N ATOM 689 CZ ARG A 43 0.412 -1.001 -25.121 1.00 53.41 C ATOM 690 NH1 ARG A 43 1.219 -0.741 -26.139 1.00 34.05 N1+ ATOM 691 NH2 ARG A 43 0.348 -2.231 -24.628 1.00 72.15 N ATOM 0 H ARG A 43 0.154 4.051 -22.012 1.00 1.31 H new ATOM 0 HA ARG A 43 2.593 3.258 -23.227 1.00 34.22 H new ATOM 0 HB2 ARG A 43 -0.231 3.579 -23.914 1.00 12.44 H new ATOM 0 HB3 ARG A 43 0.801 4.128 -25.220 1.00 12.44 H new ATOM 0 HG2 ARG A 43 1.635 2.023 -25.647 1.00 23.23 H new ATOM 0 HG3 ARG A 43 1.519 1.510 -23.976 1.00 23.23 H new ATOM 0 HD2 ARG A 43 -1.141 1.896 -24.612 1.00 61.42 H new ATOM 0 HD3 ARG A 43 -0.495 1.357 -26.149 1.00 61.42 H new ATOM 0 HE ARG A 43 -0.940 -0.268 -23.809 1.00 51.00 H new ATOM 0 HH11 ARG A 43 1.272 0.204 -26.519 1.00 34.05 H new ATOM 0 HH12 ARG A 43 1.788 -1.486 -26.542 1.00 34.05 H new ATOM 0 HH21 ARG A 43 -0.271 -2.434 -23.843 1.00 72.15 H new ATOM 0 HH22 ARG A 43 0.918 -2.973 -25.034 1.00 72.15 H new ATOM 705 N PHE A 44 1.802 6.416 -23.358 1.00 75.14 N ATOM 706 CA PHE A 44 2.280 7.740 -23.740 1.00 34.42 C ATOM 707 C PHE A 44 3.210 8.312 -22.675 1.00 72.04 C ATOM 708 O PHE A 44 3.316 9.528 -22.515 1.00 3.25 O ATOM 709 CB PHE A 44 1.099 8.686 -23.963 1.00 3.24 C ATOM 710 CG PHE A 44 0.282 8.351 -25.179 1.00 54.35 C ATOM 711 CD1 PHE A 44 0.818 8.493 -26.449 1.00 32.10 C ATOM 712 CD2 PHE A 44 -1.019 7.894 -25.052 1.00 32.44 C ATOM 713 CE1 PHE A 44 0.070 8.185 -27.571 1.00 54.30 C ATOM 714 CE2 PHE A 44 -1.771 7.585 -26.170 1.00 11.44 C ATOM 715 CZ PHE A 44 -1.226 7.732 -27.430 1.00 0.13 C ATOM 0 H PHE A 44 0.991 6.422 -22.740 1.00 75.14 H new ATOM 0 HA PHE A 44 2.840 7.642 -24.670 1.00 34.42 H new ATOM 0 HB2 PHE A 44 0.454 8.662 -23.084 1.00 3.24 H new ATOM 0 HB3 PHE A 44 1.473 9.705 -24.056 1.00 3.24 H new ATOM 0 HD1 PHE A 44 1.831 8.848 -26.564 1.00 32.10 H new ATOM 0 HD2 PHE A 44 -1.451 7.778 -24.069 1.00 32.44 H new ATOM 0 HE1 PHE A 44 0.499 8.299 -28.555 1.00 54.30 H new ATOM 0 HE2 PHE A 44 -2.784 7.229 -26.058 1.00 11.44 H new ATOM 0 HZ PHE A 44 -1.813 7.493 -28.304 1.00 0.13 H new ATOM 725 N ALA A 45 3.882 7.426 -21.947 1.00 12.34 N ATOM 726 CA ALA A 45 4.805 7.842 -20.898 1.00 45.51 C ATOM 727 C ALA A 45 4.069 8.568 -19.776 1.00 31.33 C ATOM 728 O ALA A 45 4.669 9.329 -19.017 1.00 73.14 O ATOM 729 CB ALA A 45 5.897 8.728 -21.476 1.00 73.25 C ATOM 0 H ALA A 45 3.804 6.416 -22.064 1.00 12.34 H new ATOM 0 HA ALA A 45 5.264 6.948 -20.477 1.00 45.51 H new ATOM 0 HB1 ALA A 45 6.579 9.031 -20.681 1.00 73.25 H new ATOM 0 HB2 ALA A 45 6.449 8.176 -22.237 1.00 73.25 H new ATOM 0 HB3 ALA A 45 5.447 9.613 -21.925 1.00 73.25 H new ATOM 735 N VAL A 46 2.764 8.330 -19.678 1.00 34.30 N ATOM 736 CA VAL A 46 1.947 8.963 -18.650 1.00 64.14 C ATOM 737 C VAL A 46 1.330 7.922 -17.722 1.00 53.12 C ATOM 738 O VAL A 46 0.506 7.112 -18.143 1.00 30.11 O ATOM 739 CB VAL A 46 0.822 9.812 -19.271 1.00 61.12 C ATOM 740 CG1 VAL A 46 -0.042 10.431 -18.183 1.00 52.44 C ATOM 741 CG2 VAL A 46 1.405 10.888 -20.176 1.00 70.24 C ATOM 0 H VAL A 46 2.251 7.704 -20.298 1.00 34.30 H new ATOM 0 HA VAL A 46 2.607 9.613 -18.076 1.00 64.14 H new ATOM 0 HB VAL A 46 0.191 9.161 -19.877 1.00 61.12 H new ATOM 0 HG11 VAL A 46 -0.831 11.027 -18.641 1.00 52.44 H new ATOM 0 HG12 VAL A 46 -0.488 9.641 -17.579 1.00 52.44 H new ATOM 0 HG13 VAL A 46 0.573 11.069 -17.549 1.00 52.44 H new ATOM 0 HG21 VAL A 46 0.596 11.479 -20.607 1.00 70.24 H new ATOM 0 HG22 VAL A 46 2.059 11.538 -19.594 1.00 70.24 H new ATOM 0 HG23 VAL A 46 1.978 10.419 -20.976 1.00 70.24 H new ATOM 751 N ASN A 47 1.736 7.951 -16.457 1.00 10.34 N ATOM 752 CA ASN A 47 1.222 7.010 -15.469 1.00 51.45 C ATOM 753 C ASN A 47 -0.278 7.199 -15.265 1.00 51.03 C ATOM 754 O ASN A 47 -0.803 8.311 -15.321 1.00 73.14 O ATOM 755 CB ASN A 47 1.954 7.187 -14.137 1.00 51.24 C ATOM 756 CG ASN A 47 3.459 7.072 -14.285 1.00 61.13 C ATOM 757 OD1 ASN A 47 3.995 5.977 -14.463 1.00 21.14 O ATOM 758 ND2 ASN A 47 4.150 8.204 -14.211 1.00 61.11 N ATOM 0 H ASN A 47 2.419 8.615 -16.092 1.00 10.34 H new ATOM 0 HA ASN A 47 1.396 6.000 -15.842 1.00 51.45 H new ATOM 0 HB2 ASN A 47 1.706 8.161 -13.716 1.00 51.24 H new ATOM 0 HB3 ASN A 47 1.603 6.436 -13.430 1.00 51.24 H new ATOM 0 HD21 ASN A 47 5.166 8.188 -14.303 1.00 61.11 H new ATOM 0 HD22 ASN A 47 3.665 9.089 -14.063 1.00 61.11 H new ATOM 765 N PRO A 48 -0.987 6.086 -15.022 1.00 41.30 N ATOM 766 CA PRO A 48 -2.436 6.102 -14.804 1.00 0.04 C ATOM 767 C PRO A 48 -2.816 6.752 -13.477 1.00 21.30 C ATOM 768 O PRO A 48 -3.982 7.062 -13.238 1.00 32.15 O ATOM 769 CB PRO A 48 -2.811 4.619 -14.799 1.00 44.22 C ATOM 770 CG PRO A 48 -1.565 3.914 -14.386 1.00 15.10 C ATOM 771 CD PRO A 48 -0.428 4.727 -14.940 1.00 61.54 C ATOM 0 HA PRO A 48 -2.956 6.684 -15.565 1.00 0.04 H new ATOM 0 HB2 PRO A 48 -3.627 4.420 -14.105 1.00 44.22 H new ATOM 0 HB3 PRO A 48 -3.143 4.291 -15.784 1.00 44.22 H new ATOM 0 HG2 PRO A 48 -1.500 3.840 -13.300 1.00 15.10 H new ATOM 0 HG3 PRO A 48 -1.544 2.897 -14.777 1.00 15.10 H new ATOM 0 HD2 PRO A 48 0.446 4.691 -14.290 1.00 61.54 H new ATOM 0 HD3 PRO A 48 -0.113 4.363 -15.918 1.00 61.54 H new ATOM 779 N GLY A 49 -1.822 6.954 -12.617 1.00 32.12 N ATOM 780 CA GLY A 49 -2.073 7.567 -11.325 1.00 61.12 C ATOM 781 C GLY A 49 -2.539 9.004 -11.445 1.00 54.15 C ATOM 782 O GLY A 49 -3.068 9.574 -10.490 1.00 13.32 O ATOM 0 H GLY A 49 -0.849 6.704 -12.791 1.00 32.12 H new ATOM 0 HA2 GLY A 49 -2.827 6.987 -10.792 1.00 61.12 H new ATOM 0 HA3 GLY A 49 -1.162 7.533 -10.727 1.00 61.12 H new ATOM 786 N LEU A 50 -2.341 9.592 -12.619 1.00 24.24 N ATOM 787 CA LEU A 50 -2.743 10.974 -12.861 1.00 63.22 C ATOM 788 C LEU A 50 -4.256 11.079 -13.027 1.00 71.42 C ATOM 789 O LEU A 50 -4.843 12.139 -12.808 1.00 12.43 O ATOM 790 CB LEU A 50 -2.043 11.520 -14.106 1.00 65.03 C ATOM 791 CG LEU A 50 -0.521 11.371 -14.139 1.00 33.22 C ATOM 792 CD1 LEU A 50 0.049 12.004 -15.398 1.00 35.10 C ATOM 793 CD2 LEU A 50 0.102 11.992 -12.898 1.00 51.04 C ATOM 0 H LEU A 50 -1.904 9.134 -13.419 1.00 24.24 H new ATOM 0 HA LEU A 50 -2.448 11.569 -11.997 1.00 63.22 H new ATOM 0 HB2 LEU A 50 -2.456 11.018 -14.981 1.00 65.03 H new ATOM 0 HB3 LEU A 50 -2.287 12.578 -14.201 1.00 65.03 H new ATOM 0 HG LEU A 50 -0.278 10.308 -14.150 1.00 33.22 H new ATOM 0 HD11 LEU A 50 1.133 11.889 -15.405 1.00 35.10 H new ATOM 0 HD12 LEU A 50 -0.373 11.514 -16.275 1.00 35.10 H new ATOM 0 HD13 LEU A 50 -0.203 13.064 -15.418 1.00 35.10 H new ATOM 0 HD21 LEU A 50 1.185 11.877 -12.938 1.00 51.04 H new ATOM 0 HD22 LEU A 50 -0.149 13.052 -12.856 1.00 51.04 H new ATOM 0 HD23 LEU A 50 -0.283 11.493 -12.009 1.00 51.04 H new ATOM 805 N LEU A 51 -4.882 9.973 -13.414 1.00 21.51 N ATOM 806 CA LEU A 51 -6.327 9.940 -13.608 1.00 25.15 C ATOM 807 C LEU A 51 -7.059 10.192 -12.294 1.00 12.52 C ATOM 808 O LEU A 51 -8.203 10.645 -12.288 1.00 42.41 O ATOM 809 CB LEU A 51 -6.752 8.590 -14.190 1.00 41.10 C ATOM 810 CG LEU A 51 -6.248 8.278 -15.599 1.00 70.44 C ATOM 811 CD1 LEU A 51 -6.120 6.776 -15.799 1.00 22.42 C ATOM 812 CD2 LEU A 51 -7.176 8.880 -16.643 1.00 25.44 C ATOM 0 H LEU A 51 -4.411 9.087 -13.600 1.00 21.51 H new ATOM 0 HA LEU A 51 -6.593 10.732 -14.308 1.00 25.15 H new ATOM 0 HB2 LEU A 51 -6.406 7.803 -13.520 1.00 41.10 H new ATOM 0 HB3 LEU A 51 -7.841 8.547 -14.198 1.00 41.10 H new ATOM 0 HG LEU A 51 -5.261 8.725 -15.719 1.00 70.44 H new ATOM 0 HD11 LEU A 51 -5.760 6.573 -16.808 1.00 22.42 H new ATOM 0 HD12 LEU A 51 -5.415 6.371 -15.073 1.00 22.42 H new ATOM 0 HD13 LEU A 51 -7.094 6.306 -15.660 1.00 22.42 H new ATOM 0 HD21 LEU A 51 -6.801 8.648 -17.640 1.00 25.44 H new ATOM 0 HD22 LEU A 51 -8.176 8.463 -16.525 1.00 25.44 H new ATOM 0 HD23 LEU A 51 -7.216 9.962 -16.513 1.00 25.44 H new ATOM 824 N GLU A 52 -6.389 9.900 -11.183 1.00 61.52 N ATOM 825 CA GLU A 52 -6.976 10.098 -9.864 1.00 11.30 C ATOM 826 C GLU A 52 -6.473 11.393 -9.234 1.00 41.44 C ATOM 827 O GLU A 52 -6.455 11.536 -8.010 1.00 15.23 O ATOM 828 CB GLU A 52 -6.648 8.913 -8.952 1.00 73.54 C ATOM 829 CG GLU A 52 -5.164 8.762 -8.662 1.00 0.42 C ATOM 830 CD GLU A 52 -4.895 7.936 -7.419 1.00 71.04 C ATOM 831 OE1 GLU A 52 -4.866 8.517 -6.313 1.00 24.34 O1- ATOM 832 OE2 GLU A 52 -4.712 6.707 -7.551 1.00 31.42 O ATOM 0 H GLU A 52 -5.440 9.526 -11.171 1.00 61.52 H new ATOM 0 HA GLU A 52 -8.057 10.168 -9.982 1.00 11.30 H new ATOM 0 HB2 GLU A 52 -7.184 9.031 -8.010 1.00 73.54 H new ATOM 0 HB3 GLU A 52 -7.015 7.997 -9.415 1.00 73.54 H new ATOM 0 HG2 GLU A 52 -4.676 8.295 -9.517 1.00 0.42 H new ATOM 0 HG3 GLU A 52 -4.719 9.749 -8.541 1.00 0.42 H new ATOM 839 N THR A 53 -6.064 12.336 -10.077 1.00 21.33 N ATOM 840 CA THR A 53 -5.559 13.618 -9.604 1.00 72.11 C ATOM 841 C THR A 53 -6.151 14.771 -10.407 1.00 12.32 C ATOM 842 O THR A 53 -6.028 14.816 -11.631 1.00 42.44 O ATOM 843 CB THR A 53 -4.023 13.684 -9.690 1.00 62.52 C ATOM 844 OG1 THR A 53 -3.614 13.825 -11.055 1.00 63.23 O ATOM 845 CG2 THR A 53 -3.394 12.433 -9.094 1.00 64.42 C ATOM 0 H THR A 53 -6.073 12.235 -11.092 1.00 21.33 H new ATOM 0 HA THR A 53 -5.861 13.711 -8.561 1.00 72.11 H new ATOM 0 HB THR A 53 -3.686 14.549 -9.119 1.00 62.52 H new ATOM 0 HG1 THR A 53 -4.091 13.172 -11.609 1.00 63.23 H new ATOM 0 HG21 THR A 53 -2.309 12.502 -9.166 1.00 64.42 H new ATOM 0 HG22 THR A 53 -3.683 12.344 -8.047 1.00 64.42 H new ATOM 0 HG23 THR A 53 -3.739 11.556 -9.642 1.00 64.42 H new ATOM 853 N SER A 54 -6.792 15.704 -9.709 1.00 61.35 N ATOM 854 CA SER A 54 -7.406 16.857 -10.357 1.00 74.02 C ATOM 855 C SER A 54 -6.371 17.645 -11.156 1.00 0.25 C ATOM 856 O SER A 54 -6.714 18.366 -12.092 1.00 13.40 O ATOM 857 CB SER A 54 -8.062 17.765 -9.316 1.00 51.53 C ATOM 858 OG SER A 54 -9.292 18.283 -9.794 1.00 51.50 O ATOM 0 H SER A 54 -6.899 15.684 -8.695 1.00 61.35 H new ATOM 0 HA SER A 54 -8.170 16.493 -11.043 1.00 74.02 H new ATOM 0 HB2 SER A 54 -8.232 17.205 -8.396 1.00 51.53 H new ATOM 0 HB3 SER A 54 -7.389 18.586 -9.069 1.00 51.53 H new ATOM 0 HG SER A 54 -9.943 18.309 -9.062 1.00 51.50 H new ATOM 864 N GLU A 55 -5.105 17.500 -10.778 1.00 14.41 N ATOM 865 CA GLU A 55 -4.021 18.200 -11.458 1.00 1.01 C ATOM 866 C GLU A 55 -3.570 17.430 -12.696 1.00 0.42 C ATOM 867 O GLU A 55 -3.432 17.999 -13.778 1.00 0.41 O ATOM 868 CB GLU A 55 -2.838 18.399 -10.508 1.00 21.50 C ATOM 869 CG GLU A 55 -2.787 19.782 -9.880 1.00 63.42 C ATOM 870 CD GLU A 55 -1.959 19.816 -8.611 1.00 41.14 C ATOM 871 OE1 GLU A 55 -1.247 18.826 -8.340 1.00 41.42 O1- ATOM 872 OE2 GLU A 55 -2.021 20.833 -7.890 1.00 33.20 O ATOM 0 H GLU A 55 -4.805 16.905 -10.006 1.00 14.41 H new ATOM 0 HA GLU A 55 -4.392 19.175 -11.773 1.00 1.01 H new ATOM 0 HB2 GLU A 55 -2.889 17.651 -9.716 1.00 21.50 H new ATOM 0 HB3 GLU A 55 -1.911 18.223 -11.054 1.00 21.50 H new ATOM 0 HG2 GLU A 55 -2.372 20.488 -10.599 1.00 63.42 H new ATOM 0 HG3 GLU A 55 -3.801 20.113 -9.657 1.00 63.42 H new ATOM 879 N GLY A 56 -3.341 16.132 -12.527 1.00 25.50 N ATOM 880 CA GLY A 56 -2.907 15.304 -13.639 1.00 41.33 C ATOM 881 C GLY A 56 -3.873 15.349 -14.806 1.00 64.35 C ATOM 882 O GLY A 56 -3.475 15.622 -15.939 1.00 62.01 O ATOM 0 H GLY A 56 -3.448 15.638 -11.641 1.00 25.50 H new ATOM 0 HA2 GLY A 56 -1.923 15.635 -13.972 1.00 41.33 H new ATOM 0 HA3 GLY A 56 -2.799 14.274 -13.300 1.00 41.33 H new ATOM 886 N CYS A 57 -5.144 15.077 -14.531 1.00 41.11 N ATOM 887 CA CYS A 57 -6.169 15.085 -15.568 1.00 63.43 C ATOM 888 C CYS A 57 -6.139 16.393 -16.353 1.00 3.31 C ATOM 889 O CYS A 57 -6.425 16.417 -17.550 1.00 52.32 O ATOM 890 CB CYS A 57 -7.552 14.879 -14.949 1.00 22.02 C ATOM 891 SG CYS A 57 -8.325 13.302 -15.380 1.00 4.14 S ATOM 0 H CYS A 57 -5.489 14.848 -13.599 1.00 41.11 H new ATOM 0 HA CYS A 57 -5.961 14.265 -16.256 1.00 63.43 H new ATOM 0 HB2 CYS A 57 -7.467 14.945 -13.864 1.00 22.02 H new ATOM 0 HB3 CYS A 57 -8.206 15.691 -15.267 1.00 22.02 H new ATOM 0 HG CYS A 57 -9.196 13.490 -16.326 1.00 4.14 H new ATOM 897 N ARG A 58 -5.794 17.479 -15.669 1.00 50.30 N ATOM 898 CA ARG A 58 -5.730 18.791 -16.301 1.00 35.21 C ATOM 899 C ARG A 58 -4.557 18.869 -17.274 1.00 22.02 C ATOM 900 O ARG A 58 -4.660 19.484 -18.336 1.00 53.35 O ATOM 901 CB ARG A 58 -5.600 19.886 -15.240 1.00 62.51 C ATOM 902 CG ARG A 58 -5.897 21.281 -15.765 1.00 41.42 C ATOM 903 CD ARG A 58 -4.712 22.213 -15.570 1.00 74.43 C ATOM 904 NE ARG A 58 -4.583 22.652 -14.183 1.00 64.24 N ATOM 905 CZ ARG A 58 -3.743 23.601 -13.788 1.00 55.14 C ATOM 906 NH1 ARG A 58 -2.961 24.209 -14.671 1.00 51.14 N1+ ATOM 907 NH2 ARG A 58 -3.682 23.946 -12.508 1.00 5.14 N ATOM 0 H ARG A 58 -5.555 17.476 -14.677 1.00 50.30 H new ATOM 0 HA ARG A 58 -6.654 18.943 -16.859 1.00 35.21 H new ATOM 0 HB2 ARG A 58 -6.279 19.665 -14.417 1.00 62.51 H new ATOM 0 HB3 ARG A 58 -4.589 19.868 -14.833 1.00 62.51 H new ATOM 0 HG2 ARG A 58 -6.148 21.227 -16.824 1.00 41.42 H new ATOM 0 HG3 ARG A 58 -6.769 21.686 -15.251 1.00 41.42 H new ATOM 0 HD2 ARG A 58 -3.797 21.705 -15.876 1.00 74.43 H new ATOM 0 HD3 ARG A 58 -4.825 23.083 -16.217 1.00 74.43 H new ATOM 0 HE ARG A 58 -5.171 22.205 -13.479 1.00 64.24 H new ATOM 0 HH11 ARG A 58 -3.004 23.948 -15.656 1.00 51.14 H new ATOM 0 HH12 ARG A 58 -2.316 24.938 -14.365 1.00 51.14 H new ATOM 0 HH21 ARG A 58 -4.281 23.482 -11.826 1.00 5.14 H new ATOM 0 HH22 ARG A 58 -3.036 24.675 -12.207 1.00 5.14 H new ATOM 921 N GLN A 59 -3.445 18.243 -16.903 1.00 74.42 N ATOM 922 CA GLN A 59 -2.253 18.244 -17.744 1.00 43.55 C ATOM 923 C GLN A 59 -2.427 17.308 -18.936 1.00 51.31 C ATOM 924 O GLN A 59 -2.086 17.659 -20.066 1.00 64.53 O ATOM 925 CB GLN A 59 -1.027 17.827 -16.927 1.00 5.14 C ATOM 926 CG GLN A 59 -0.610 18.856 -15.890 1.00 43.34 C ATOM 927 CD GLN A 59 0.732 19.488 -16.202 1.00 0.20 C ATOM 928 OE1 GLN A 59 1.667 18.810 -16.629 1.00 52.52 O ATOM 929 NE2 GLN A 59 0.834 20.796 -15.991 1.00 45.31 N ATOM 0 H GLN A 59 -3.344 17.729 -16.027 1.00 74.42 H new ATOM 0 HA GLN A 59 -2.104 19.256 -18.119 1.00 43.55 H new ATOM 0 HB2 GLN A 59 -1.239 16.883 -16.425 1.00 5.14 H new ATOM 0 HB3 GLN A 59 -0.193 17.648 -17.605 1.00 5.14 H new ATOM 0 HG2 GLN A 59 -1.370 19.636 -15.831 1.00 43.34 H new ATOM 0 HG3 GLN A 59 -0.565 18.381 -14.910 1.00 43.34 H new ATOM 0 HE21 GLN A 59 0.034 21.319 -15.636 1.00 45.31 H new ATOM 0 HE22 GLN A 59 1.713 21.277 -16.184 1.00 45.31 H new ATOM 938 N ILE A 60 -2.958 16.119 -18.675 1.00 21.42 N ATOM 939 CA ILE A 60 -3.177 15.134 -19.727 1.00 35.33 C ATOM 940 C ILE A 60 -3.977 15.731 -20.881 1.00 71.11 C ATOM 941 O ILE A 60 -3.723 15.429 -22.048 1.00 54.13 O ATOM 942 CB ILE A 60 -3.917 13.894 -19.193 1.00 42.41 C ATOM 943 CG1 ILE A 60 -3.122 13.251 -18.053 1.00 21.44 C ATOM 944 CG2 ILE A 60 -4.152 12.893 -20.313 1.00 65.34 C ATOM 945 CD1 ILE A 60 -3.948 12.322 -17.191 1.00 60.13 C ATOM 0 H ILE A 60 -3.245 15.814 -17.745 1.00 21.42 H new ATOM 0 HA ILE A 60 -2.193 14.833 -20.086 1.00 35.33 H new ATOM 0 HB ILE A 60 -4.886 14.207 -18.804 1.00 42.41 H new ATOM 0 HG12 ILE A 60 -2.284 12.695 -18.473 1.00 21.44 H new ATOM 0 HG13 ILE A 60 -2.700 14.037 -17.426 1.00 21.44 H new ATOM 0 HG21 ILE A 60 -4.676 12.022 -19.919 1.00 65.34 H new ATOM 0 HG22 ILE A 60 -4.754 13.356 -21.094 1.00 65.34 H new ATOM 0 HG23 ILE A 60 -3.194 12.582 -20.730 1.00 65.34 H new ATOM 0 HD11 ILE A 60 -3.321 11.902 -16.404 1.00 60.13 H new ATOM 0 HD12 ILE A 60 -4.771 12.878 -16.742 1.00 60.13 H new ATOM 0 HD13 ILE A 60 -4.348 11.515 -17.805 1.00 60.13 H new ATOM 957 N LEU A 61 -4.942 16.580 -20.547 1.00 73.42 N ATOM 958 CA LEU A 61 -5.779 17.222 -21.556 1.00 55.01 C ATOM 959 C LEU A 61 -4.993 18.284 -22.319 1.00 11.54 C ATOM 960 O LEU A 61 -5.291 18.579 -23.475 1.00 50.22 O ATOM 961 CB LEU A 61 -7.009 17.853 -20.900 1.00 60.55 C ATOM 962 CG LEU A 61 -7.931 16.896 -20.143 1.00 74.13 C ATOM 963 CD1 LEU A 61 -8.708 17.642 -19.069 1.00 72.45 C ATOM 964 CD2 LEU A 61 -8.881 16.199 -21.105 1.00 61.13 C ATOM 0 H LEU A 61 -5.165 16.840 -19.586 1.00 73.42 H new ATOM 0 HA LEU A 61 -6.104 16.459 -22.263 1.00 55.01 H new ATOM 0 HB2 LEU A 61 -6.671 18.624 -20.208 1.00 60.55 H new ATOM 0 HB3 LEU A 61 -7.593 18.352 -21.673 1.00 60.55 H new ATOM 0 HG LEU A 61 -7.317 16.137 -19.657 1.00 74.13 H new ATOM 0 HD11 LEU A 61 -9.359 16.945 -18.541 1.00 72.45 H new ATOM 0 HD12 LEU A 61 -8.011 18.094 -18.363 1.00 72.45 H new ATOM 0 HD13 LEU A 61 -9.312 18.422 -19.532 1.00 72.45 H new ATOM 0 HD21 LEU A 61 -9.530 15.522 -20.549 1.00 61.13 H new ATOM 0 HD22 LEU A 61 -9.489 16.943 -21.619 1.00 61.13 H new ATOM 0 HD23 LEU A 61 -8.306 15.632 -21.837 1.00 61.13 H new ATOM 976 N GLY A 62 -3.988 18.855 -21.663 1.00 51.24 N ATOM 977 CA GLY A 62 -3.174 19.876 -22.295 1.00 61.32 C ATOM 978 C GLY A 62 -2.368 19.337 -23.459 1.00 70.45 C ATOM 979 O GLY A 62 -2.100 20.054 -24.422 1.00 34.30 O ATOM 0 H GLY A 62 -3.723 18.628 -20.704 1.00 51.24 H new ATOM 0 HA2 GLY A 62 -3.817 20.683 -22.645 1.00 61.32 H new ATOM 0 HA3 GLY A 62 -2.497 20.305 -21.556 1.00 61.32 H new ATOM 983 N GLN A 63 -1.977 18.069 -23.370 1.00 42.20 N ATOM 984 CA GLN A 63 -1.194 17.434 -24.424 1.00 32.33 C ATOM 985 C GLN A 63 -2.099 16.918 -25.538 1.00 63.52 C ATOM 986 O GLN A 63 -1.690 16.836 -26.697 1.00 32.33 O ATOM 987 CB GLN A 63 -0.364 16.285 -23.851 1.00 55.30 C ATOM 988 CG GLN A 63 1.102 16.636 -23.649 1.00 52.44 C ATOM 989 CD GLN A 63 1.474 16.770 -22.185 1.00 1.13 C ATOM 990 OE1 GLN A 63 1.057 15.967 -21.350 1.00 64.35 O ATOM 991 NE2 GLN A 63 2.263 17.789 -21.866 1.00 13.41 N ATOM 0 H GLN A 63 -2.190 17.461 -22.579 1.00 42.20 H new ATOM 0 HA GLN A 63 -0.522 18.183 -24.844 1.00 32.33 H new ATOM 0 HB2 GLN A 63 -0.791 15.980 -22.896 1.00 55.30 H new ATOM 0 HB3 GLN A 63 -0.435 15.427 -24.520 1.00 55.30 H new ATOM 0 HG2 GLN A 63 1.722 15.867 -24.109 1.00 52.44 H new ATOM 0 HG3 GLN A 63 1.322 17.572 -24.163 1.00 52.44 H new ATOM 0 HE21 GLN A 63 2.585 18.431 -22.590 1.00 13.41 H new ATOM 0 HE22 GLN A 63 2.547 17.930 -20.897 1.00 13.41 H new ATOM 1000 N LEU A 64 -3.329 16.567 -25.179 1.00 15.14 N ATOM 1001 CA LEU A 64 -4.292 16.057 -26.149 1.00 43.42 C ATOM 1002 C LEU A 64 -4.999 17.202 -26.869 1.00 64.23 C ATOM 1003 O LEU A 64 -5.464 17.043 -27.997 1.00 1.42 O ATOM 1004 CB LEU A 64 -5.321 15.164 -25.453 1.00 3.20 C ATOM 1005 CG LEU A 64 -4.844 13.762 -25.070 1.00 35.33 C ATOM 1006 CD1 LEU A 64 -5.901 13.046 -24.244 1.00 24.23 C ATOM 1007 CD2 LEU A 64 -4.501 12.958 -26.315 1.00 43.03 C ATOM 0 H LEU A 64 -3.683 16.626 -24.224 1.00 15.14 H new ATOM 0 HA LEU A 64 -3.749 15.468 -26.888 1.00 43.42 H new ATOM 0 HB2 LEU A 64 -5.659 15.670 -24.549 1.00 3.20 H new ATOM 0 HB3 LEU A 64 -6.188 15.065 -26.107 1.00 3.20 H new ATOM 0 HG LEU A 64 -3.943 13.858 -24.464 1.00 35.33 H new ATOM 0 HD11 LEU A 64 -5.544 12.050 -23.981 1.00 24.23 H new ATOM 0 HD12 LEU A 64 -6.098 13.613 -23.334 1.00 24.23 H new ATOM 0 HD13 LEU A 64 -6.820 12.961 -24.824 1.00 24.23 H new ATOM 0 HD21 LEU A 64 -4.163 11.963 -26.024 1.00 43.03 H new ATOM 0 HD22 LEU A 64 -5.385 12.871 -26.947 1.00 43.03 H new ATOM 0 HD23 LEU A 64 -3.709 13.463 -26.867 1.00 43.03 H new ATOM 1019 N GLN A 65 -5.073 18.352 -26.208 1.00 33.40 N ATOM 1020 CA GLN A 65 -5.722 19.524 -26.787 1.00 40.43 C ATOM 1021 C GLN A 65 -5.168 19.822 -28.177 1.00 2.21 C ATOM 1022 O GLN A 65 -5.886 19.795 -29.176 1.00 10.11 O ATOM 1023 CB GLN A 65 -5.532 20.739 -25.878 1.00 53.23 C ATOM 1024 CG GLN A 65 -6.803 21.166 -25.161 1.00 74.31 C ATOM 1025 CD GLN A 65 -6.829 22.651 -24.856 1.00 53.31 C ATOM 1026 OE1 GLN A 65 -5.790 23.264 -24.609 1.00 12.31 O ATOM 1027 NE2 GLN A 65 -8.020 23.239 -24.871 1.00 64.03 N ATOM 0 H GLN A 65 -4.693 18.498 -25.273 1.00 33.40 H new ATOM 0 HA GLN A 65 -6.787 19.311 -26.879 1.00 40.43 H new ATOM 0 HB2 GLN A 65 -4.765 20.512 -25.137 1.00 53.23 H new ATOM 0 HB3 GLN A 65 -5.162 21.574 -26.473 1.00 53.23 H new ATOM 0 HG2 GLN A 65 -7.666 20.910 -25.776 1.00 74.31 H new ATOM 0 HG3 GLN A 65 -6.897 20.606 -24.231 1.00 74.31 H new ATOM 0 HE21 GLN A 65 -8.856 22.693 -25.081 1.00 64.03 H new ATOM 0 HE22 GLN A 65 -8.099 24.236 -24.673 1.00 64.03 H new ATOM 1036 N PRO A 66 -3.861 20.113 -28.243 1.00 15.02 N ATOM 1037 CA PRO A 66 -3.181 20.423 -29.505 1.00 3.24 C ATOM 1038 C PRO A 66 -3.056 19.201 -30.409 1.00 74.24 C ATOM 1039 O PRO A 66 -2.799 19.327 -31.607 1.00 14.45 O ATOM 1040 CB PRO A 66 -1.799 20.901 -29.056 1.00 73.04 C ATOM 1041 CG PRO A 66 -1.586 20.254 -27.730 1.00 32.14 C ATOM 1042 CD PRO A 66 -2.944 20.164 -27.092 1.00 2.33 C ATOM 0 HA PRO A 66 -3.729 21.158 -30.094 1.00 3.24 H new ATOM 0 HB2 PRO A 66 -1.028 20.607 -29.768 1.00 73.04 H new ATOM 0 HB3 PRO A 66 -1.762 21.987 -28.977 1.00 73.04 H new ATOM 0 HG2 PRO A 66 -1.142 19.265 -27.845 1.00 32.14 H new ATOM 0 HG3 PRO A 66 -0.904 20.840 -27.115 1.00 32.14 H new ATOM 0 HD2 PRO A 66 -3.036 19.276 -26.466 1.00 2.33 H new ATOM 0 HD3 PRO A 66 -3.146 21.025 -26.455 1.00 2.33 H new ATOM 1050 N SER A 67 -3.237 18.020 -29.829 1.00 41.11 N ATOM 1051 CA SER A 67 -3.140 16.775 -30.582 1.00 72.41 C ATOM 1052 C SER A 67 -4.452 16.469 -31.297 1.00 73.41 C ATOM 1053 O SER A 67 -4.469 15.793 -32.327 1.00 24.11 O ATOM 1054 CB SER A 67 -2.772 15.618 -29.652 1.00 51.23 C ATOM 1055 OG SER A 67 -1.490 15.812 -29.078 1.00 12.04 O ATOM 0 H SER A 67 -3.452 17.898 -28.839 1.00 41.11 H new ATOM 0 HA SER A 67 -2.357 16.893 -31.331 1.00 72.41 H new ATOM 0 HB2 SER A 67 -3.518 15.531 -28.862 1.00 51.23 H new ATOM 0 HB3 SER A 67 -2.786 14.681 -30.209 1.00 51.23 H new ATOM 0 HG SER A 67 -1.582 15.952 -28.112 1.00 12.04 H new ATOM 1061 N LEU A 68 -5.550 16.972 -30.746 1.00 11.41 N ATOM 1062 CA LEU A 68 -6.870 16.753 -31.330 1.00 15.10 C ATOM 1063 C LEU A 68 -6.886 17.155 -32.801 1.00 1.22 C ATOM 1064 O LEU A 68 -7.612 16.569 -33.605 1.00 13.25 O ATOM 1065 CB LEU A 68 -7.927 17.547 -30.560 1.00 12.05 C ATOM 1066 CG LEU A 68 -8.338 16.977 -29.202 1.00 61.23 C ATOM 1067 CD1 LEU A 68 -8.640 18.100 -28.222 1.00 52.22 C ATOM 1068 CD2 LEU A 68 -9.542 16.058 -29.351 1.00 73.50 C ATOM 0 H LEU A 68 -5.554 17.535 -29.895 1.00 11.41 H new ATOM 0 HA LEU A 68 -7.101 15.690 -31.260 1.00 15.10 H new ATOM 0 HB2 LEU A 68 -7.553 18.559 -30.408 1.00 12.05 H new ATOM 0 HB3 LEU A 68 -8.818 17.626 -31.183 1.00 12.05 H new ATOM 0 HG LEU A 68 -7.507 16.392 -28.808 1.00 61.23 H new ATOM 0 HD11 LEU A 68 -8.931 17.676 -27.261 1.00 52.22 H new ATOM 0 HD12 LEU A 68 -7.752 18.718 -28.092 1.00 52.22 H new ATOM 0 HD13 LEU A 68 -9.454 18.712 -28.610 1.00 52.22 H new ATOM 0 HD21 LEU A 68 -9.820 15.662 -28.374 1.00 73.50 H new ATOM 0 HD22 LEU A 68 -10.379 16.619 -29.767 1.00 73.50 H new ATOM 0 HD23 LEU A 68 -9.290 15.234 -30.019 1.00 73.50 H new ATOM 1080 N GLN A 69 -6.081 18.154 -33.146 1.00 71.00 N ATOM 1081 CA GLN A 69 -6.003 18.632 -34.521 1.00 21.40 C ATOM 1082 C GLN A 69 -5.697 17.485 -35.480 1.00 54.30 C ATOM 1083 O GLN A 69 -6.321 17.358 -36.534 1.00 41.32 O ATOM 1084 CB GLN A 69 -4.932 19.716 -34.647 1.00 14.45 C ATOM 1085 CG GLN A 69 -5.188 20.696 -35.781 1.00 20.31 C ATOM 1086 CD GLN A 69 -6.484 21.463 -35.608 1.00 25.41 C ATOM 1087 OE1 GLN A 69 -6.654 22.211 -34.646 1.00 15.51 O ATOM 1088 NE2 GLN A 69 -7.410 21.279 -36.544 1.00 72.13 N ATOM 0 H GLN A 69 -5.474 18.648 -32.492 1.00 71.00 H new ATOM 0 HA GLN A 69 -6.972 19.056 -34.787 1.00 21.40 H new ATOM 0 HB2 GLN A 69 -4.872 20.267 -33.708 1.00 14.45 H new ATOM 0 HB3 GLN A 69 -3.963 19.241 -34.800 1.00 14.45 H new ATOM 0 HG2 GLN A 69 -4.359 21.401 -35.841 1.00 20.31 H new ATOM 0 HG3 GLN A 69 -5.215 20.153 -36.726 1.00 20.31 H new ATOM 0 HE21 GLN A 69 -7.227 20.649 -37.325 1.00 72.13 H new ATOM 0 HE22 GLN A 69 -8.303 21.768 -36.481 1.00 72.13 H new ATOM 1097 N THR A 70 -4.731 16.651 -35.107 1.00 62.10 N ATOM 1098 CA THR A 70 -4.340 15.516 -35.933 1.00 23.43 C ATOM 1099 C THR A 70 -4.309 14.228 -35.118 1.00 75.40 C ATOM 1100 O THR A 70 -3.376 13.434 -35.231 1.00 43.31 O ATOM 1101 CB THR A 70 -2.958 15.738 -36.575 1.00 61.04 C ATOM 1102 OG1 THR A 70 -2.727 17.138 -36.771 1.00 63.14 O ATOM 1103 CG2 THR A 70 -2.857 15.011 -37.908 1.00 43.43 C ATOM 0 H THR A 70 -4.205 16.741 -34.238 1.00 62.10 H new ATOM 0 HA THR A 70 -5.088 15.426 -36.721 1.00 23.43 H new ATOM 0 HB THR A 70 -2.201 15.336 -35.901 1.00 61.04 H new ATOM 0 HG1 THR A 70 -1.845 17.270 -37.178 1.00 63.14 H new ATOM 0 HG21 THR A 70 -1.872 15.183 -38.342 1.00 43.43 H new ATOM 0 HG22 THR A 70 -3.003 13.942 -37.752 1.00 43.43 H new ATOM 0 HG23 THR A 70 -3.623 15.387 -38.586 1.00 43.43 H new ATOM 1111 N GLY A 71 -5.335 14.027 -34.299 1.00 4.53 N ATOM 1112 CA GLY A 71 -5.406 12.832 -33.477 1.00 32.24 C ATOM 1113 C GLY A 71 -6.164 11.707 -34.154 1.00 60.13 C ATOM 1114 O GLY A 71 -6.831 11.919 -35.166 1.00 35.41 O ATOM 0 H GLY A 71 -6.119 14.670 -34.189 1.00 4.53 H new ATOM 0 HA2 GLY A 71 -4.396 12.496 -33.242 1.00 32.24 H new ATOM 0 HA3 GLY A 71 -5.890 13.074 -32.531 1.00 32.24 H new ATOM 1118 N SER A 72 -6.061 10.506 -33.595 1.00 65.12 N ATOM 1119 CA SER A 72 -6.738 9.342 -34.154 1.00 62.31 C ATOM 1120 C SER A 72 -7.938 8.947 -33.298 1.00 52.04 C ATOM 1121 O SER A 72 -8.303 9.656 -32.360 1.00 24.43 O ATOM 1122 CB SER A 72 -5.767 8.164 -34.263 1.00 53.30 C ATOM 1123 OG SER A 72 -5.590 7.530 -33.008 1.00 4.35 O ATOM 0 H SER A 72 -5.515 10.313 -32.755 1.00 65.12 H new ATOM 0 HA SER A 72 -7.094 9.605 -35.150 1.00 62.31 H new ATOM 0 HB2 SER A 72 -6.145 7.443 -34.988 1.00 53.30 H new ATOM 0 HB3 SER A 72 -4.805 8.515 -34.635 1.00 53.30 H new ATOM 0 HG SER A 72 -4.967 6.780 -33.105 1.00 4.35 H new ATOM 1129 N GLU A 73 -8.546 7.812 -33.629 1.00 53.11 N ATOM 1130 CA GLU A 73 -9.705 7.325 -32.891 1.00 20.42 C ATOM 1131 C GLU A 73 -9.390 7.198 -31.404 1.00 41.03 C ATOM 1132 O GLU A 73 -10.181 7.606 -30.554 1.00 32.11 O ATOM 1133 CB GLU A 73 -10.158 5.972 -33.446 1.00 52.41 C ATOM 1134 CG GLU A 73 -11.593 5.968 -33.944 1.00 32.52 C ATOM 1135 CD GLU A 73 -11.754 6.697 -35.265 1.00 63.11 C ATOM 1136 OE1 GLU A 73 -10.753 7.257 -35.759 1.00 53.40 O ATOM 1137 OE2 GLU A 73 -12.880 6.707 -35.804 1.00 63.12 O1- ATOM 0 H GLU A 73 -8.256 7.214 -34.402 1.00 53.11 H new ATOM 0 HA GLU A 73 -10.511 8.048 -33.012 1.00 20.42 H new ATOM 0 HB2 GLU A 73 -9.498 5.685 -34.264 1.00 52.41 H new ATOM 0 HB3 GLU A 73 -10.050 5.215 -32.669 1.00 52.41 H new ATOM 0 HG2 GLU A 73 -11.931 4.938 -34.058 1.00 32.52 H new ATOM 0 HG3 GLU A 73 -12.235 6.433 -33.196 1.00 32.52 H new ATOM 1144 N GLU A 74 -8.228 6.627 -31.098 1.00 10.34 N ATOM 1145 CA GLU A 74 -7.808 6.445 -29.713 1.00 24.53 C ATOM 1146 C GLU A 74 -7.571 7.791 -29.035 1.00 20.34 C ATOM 1147 O GLU A 74 -7.882 7.969 -27.856 1.00 20.12 O ATOM 1148 CB GLU A 74 -6.536 5.599 -29.650 1.00 24.21 C ATOM 1149 CG GLU A 74 -6.772 4.123 -29.927 1.00 41.52 C ATOM 1150 CD GLU A 74 -6.979 3.832 -31.401 1.00 71.35 C ATOM 1151 OE1 GLU A 74 -6.224 4.389 -32.226 1.00 3.54 O ATOM 1152 OE2 GLU A 74 -7.892 3.046 -31.729 1.00 14.14 O1- ATOM 0 H GLU A 74 -7.562 6.283 -31.790 1.00 10.34 H new ATOM 0 HA GLU A 74 -8.607 5.927 -29.183 1.00 24.53 H new ATOM 0 HB2 GLU A 74 -5.817 5.985 -30.372 1.00 24.21 H new ATOM 0 HB3 GLU A 74 -6.086 5.707 -28.663 1.00 24.21 H new ATOM 0 HG2 GLU A 74 -5.920 3.548 -29.563 1.00 41.52 H new ATOM 0 HG3 GLU A 74 -7.645 3.787 -29.368 1.00 41.52 H new ATOM 1159 N LEU A 75 -7.018 8.736 -29.787 1.00 11.20 N ATOM 1160 CA LEU A 75 -6.738 10.067 -29.260 1.00 50.42 C ATOM 1161 C LEU A 75 -8.028 10.781 -28.867 1.00 24.33 C ATOM 1162 O LEU A 75 -8.040 11.603 -27.952 1.00 4.41 O ATOM 1163 CB LEU A 75 -5.977 10.898 -30.294 1.00 61.34 C ATOM 1164 CG LEU A 75 -5.248 12.131 -29.760 1.00 51.43 C ATOM 1165 CD1 LEU A 75 -3.891 12.281 -30.430 1.00 62.05 C ATOM 1166 CD2 LEU A 75 -6.089 13.381 -29.971 1.00 21.40 C ATOM 0 H LEU A 75 -6.755 8.605 -30.764 1.00 11.20 H new ATOM 0 HA LEU A 75 -6.121 9.954 -28.369 1.00 50.42 H new ATOM 0 HB2 LEU A 75 -5.247 10.253 -30.783 1.00 61.34 H new ATOM 0 HB3 LEU A 75 -6.681 11.221 -31.061 1.00 61.34 H new ATOM 0 HG LEU A 75 -5.090 12.000 -28.690 1.00 51.43 H new ATOM 0 HD11 LEU A 75 -3.387 13.164 -30.037 1.00 62.05 H new ATOM 0 HD12 LEU A 75 -3.286 11.397 -30.228 1.00 62.05 H new ATOM 0 HD13 LEU A 75 -4.027 12.389 -31.506 1.00 62.05 H new ATOM 0 HD21 LEU A 75 -5.554 14.249 -29.585 1.00 21.40 H new ATOM 0 HD22 LEU A 75 -6.279 13.516 -31.036 1.00 21.40 H new ATOM 0 HD23 LEU A 75 -7.037 13.275 -29.444 1.00 21.40 H new ATOM 1178 N ARG A 76 -9.111 10.458 -29.567 1.00 10.53 N ATOM 1179 CA ARG A 76 -10.407 11.068 -29.291 1.00 54.51 C ATOM 1180 C ARG A 76 -11.021 10.489 -28.020 1.00 11.02 C ATOM 1181 O ARG A 76 -11.418 11.228 -27.119 1.00 43.25 O ATOM 1182 CB ARG A 76 -11.356 10.854 -30.471 1.00 33.42 C ATOM 1183 CG ARG A 76 -11.433 12.044 -31.414 1.00 64.32 C ATOM 1184 CD ARG A 76 -12.727 12.821 -31.228 1.00 43.25 C ATOM 1185 NE ARG A 76 -13.035 13.657 -32.384 1.00 51.32 N ATOM 1186 CZ ARG A 76 -13.460 13.176 -33.547 1.00 1.25 C ATOM 1187 NH1 ARG A 76 -13.627 11.871 -33.706 1.00 24.44 N1+ ATOM 1188 NH2 ARG A 76 -13.720 14.001 -34.553 1.00 70.31 N ATOM 0 H ARG A 76 -9.117 9.779 -30.328 1.00 10.53 H new ATOM 0 HA ARG A 76 -10.254 12.137 -29.145 1.00 54.51 H new ATOM 0 HB2 ARG A 76 -11.033 9.977 -31.032 1.00 33.42 H new ATOM 0 HB3 ARG A 76 -12.354 10.638 -30.089 1.00 33.42 H new ATOM 0 HG2 ARG A 76 -10.583 12.704 -31.239 1.00 64.32 H new ATOM 0 HG3 ARG A 76 -11.361 11.698 -32.445 1.00 64.32 H new ATOM 0 HD2 ARG A 76 -13.547 12.124 -31.056 1.00 43.25 H new ATOM 0 HD3 ARG A 76 -12.649 13.447 -30.339 1.00 43.25 H new ATOM 0 HE ARG A 76 -12.917 14.666 -32.294 1.00 51.32 H new ATOM 0 HH11 ARG A 76 -13.429 11.234 -32.935 1.00 24.44 H new ATOM 0 HH12 ARG A 76 -13.953 11.504 -34.600 1.00 24.44 H new ATOM 0 HH21 ARG A 76 -13.594 15.006 -34.434 1.00 70.31 H new ATOM 0 HH22 ARG A 76 -14.046 13.630 -35.445 1.00 70.31 H new ATOM 1202 N SER A 77 -11.095 9.164 -27.956 1.00 43.50 N ATOM 1203 CA SER A 77 -11.665 8.486 -26.797 1.00 5.01 C ATOM 1204 C SER A 77 -10.997 8.957 -25.509 1.00 53.05 C ATOM 1205 O SER A 77 -11.654 9.131 -24.482 1.00 24.12 O ATOM 1206 CB SER A 77 -11.511 6.970 -26.939 1.00 72.34 C ATOM 1207 OG SER A 77 -10.543 6.646 -27.923 1.00 1.53 O ATOM 0 H SER A 77 -10.768 8.538 -28.692 1.00 43.50 H new ATOM 0 HA SER A 77 -12.725 8.734 -26.748 1.00 5.01 H new ATOM 0 HB2 SER A 77 -11.219 6.540 -25.981 1.00 72.34 H new ATOM 0 HB3 SER A 77 -12.470 6.527 -27.208 1.00 72.34 H new ATOM 0 HG SER A 77 -9.697 7.091 -27.708 1.00 1.53 H new ATOM 1213 N LEU A 78 -9.686 9.161 -25.571 1.00 13.21 N ATOM 1214 CA LEU A 78 -8.926 9.612 -24.410 1.00 55.44 C ATOM 1215 C LEU A 78 -9.437 10.963 -23.916 1.00 32.21 C ATOM 1216 O LEU A 78 -9.843 11.101 -22.762 1.00 71.33 O ATOM 1217 CB LEU A 78 -7.439 9.713 -24.756 1.00 64.21 C ATOM 1218 CG LEU A 78 -6.548 8.592 -24.217 1.00 31.34 C ATOM 1219 CD1 LEU A 78 -6.654 8.507 -22.703 1.00 12.21 C ATOM 1220 CD2 LEU A 78 -6.921 7.261 -24.855 1.00 11.42 C ATOM 0 H LEU A 78 -9.127 9.021 -26.413 1.00 13.21 H new ATOM 0 HA LEU A 78 -9.059 8.880 -23.614 1.00 55.44 H new ATOM 0 HB2 LEU A 78 -7.340 9.739 -25.841 1.00 64.21 H new ATOM 0 HB3 LEU A 78 -7.062 10.663 -24.378 1.00 64.21 H new ATOM 0 HG LEU A 78 -5.514 8.820 -24.476 1.00 31.34 H new ATOM 0 HD11 LEU A 78 -6.013 7.704 -22.338 1.00 12.21 H new ATOM 0 HD12 LEU A 78 -6.338 9.452 -22.262 1.00 12.21 H new ATOM 0 HD13 LEU A 78 -7.687 8.303 -22.421 1.00 12.21 H new ATOM 0 HD21 LEU A 78 -6.277 6.475 -24.460 1.00 11.42 H new ATOM 0 HD22 LEU A 78 -7.961 7.027 -24.627 1.00 11.42 H new ATOM 0 HD23 LEU A 78 -6.792 7.327 -25.935 1.00 11.42 H new ATOM 1232 N TYR A 79 -9.414 11.956 -24.799 1.00 4.55 N ATOM 1233 CA TYR A 79 -9.875 13.295 -24.453 1.00 3.04 C ATOM 1234 C TYR A 79 -11.278 13.252 -23.856 1.00 60.22 C ATOM 1235 O TYR A 79 -11.618 14.050 -22.983 1.00 73.02 O ATOM 1236 CB TYR A 79 -9.862 14.197 -25.689 1.00 64.20 C ATOM 1237 CG TYR A 79 -9.691 15.663 -25.368 1.00 55.30 C ATOM 1238 CD1 TYR A 79 -8.527 16.131 -24.769 1.00 14.23 C ATOM 1239 CD2 TYR A 79 -10.692 16.581 -25.660 1.00 60.10 C ATOM 1240 CE1 TYR A 79 -8.366 17.471 -24.473 1.00 74.35 C ATOM 1241 CE2 TYR A 79 -10.538 17.923 -25.368 1.00 31.43 C ATOM 1242 CZ TYR A 79 -9.374 18.363 -24.774 1.00 64.52 C ATOM 1243 OH TYR A 79 -9.218 19.698 -24.481 1.00 31.32 O ATOM 0 H TYR A 79 -9.081 11.859 -25.758 1.00 4.55 H new ATOM 0 HA TYR A 79 -9.195 13.703 -23.706 1.00 3.04 H new ATOM 0 HB2 TYR A 79 -9.054 13.882 -26.349 1.00 64.20 H new ATOM 0 HB3 TYR A 79 -10.794 14.060 -26.238 1.00 64.20 H new ATOM 0 HD1 TYR A 79 -7.736 15.436 -24.531 1.00 14.23 H new ATOM 0 HD2 TYR A 79 -11.606 16.240 -26.123 1.00 60.10 H new ATOM 0 HE1 TYR A 79 -7.455 17.818 -24.008 1.00 74.35 H new ATOM 0 HE2 TYR A 79 -11.325 18.624 -25.604 1.00 31.43 H new ATOM 0 HH TYR A 79 -10.019 20.190 -24.758 1.00 31.32 H new ATOM 1253 N ASN A 80 -12.088 12.313 -24.332 1.00 22.31 N ATOM 1254 CA ASN A 80 -13.456 12.164 -23.846 1.00 60.51 C ATOM 1255 C ASN A 80 -13.468 11.712 -22.389 1.00 32.11 C ATOM 1256 O ASN A 80 -14.040 12.379 -21.526 1.00 41.20 O ATOM 1257 CB ASN A 80 -14.219 11.157 -24.710 1.00 11.15 C ATOM 1258 CG ASN A 80 -14.361 11.620 -26.147 1.00 73.23 C ATOM 1259 OD1 ASN A 80 -14.242 12.809 -26.443 1.00 11.51 O ATOM 1260 ND2 ASN A 80 -14.615 10.679 -27.049 1.00 2.11 N ATOM 0 H ASN A 80 -11.822 11.643 -25.054 1.00 22.31 H new ATOM 0 HA ASN A 80 -13.947 13.135 -23.912 1.00 60.51 H new ATOM 0 HB2 ASN A 80 -13.701 10.198 -24.689 1.00 11.15 H new ATOM 0 HB3 ASN A 80 -15.209 10.993 -24.284 1.00 11.15 H new ATOM 0 HD21 ASN A 80 -14.719 10.930 -28.032 1.00 2.11 H new ATOM 0 HD22 ASN A 80 -14.706 9.705 -26.759 1.00 2.11 H new ATOM 1267 N THR A 81 -12.833 10.575 -22.121 1.00 34.31 N ATOM 1268 CA THR A 81 -12.771 10.034 -20.770 1.00 10.41 C ATOM 1269 C THR A 81 -12.040 10.986 -19.829 1.00 62.12 C ATOM 1270 O THR A 81 -12.569 11.371 -18.786 1.00 74.32 O ATOM 1271 CB THR A 81 -12.068 8.664 -20.744 1.00 33.12 C ATOM 1272 OG1 THR A 81 -12.683 7.780 -21.688 1.00 33.11 O ATOM 1273 CG2 THR A 81 -12.128 8.051 -19.353 1.00 25.13 C ATOM 0 H THR A 81 -12.354 10.011 -22.823 1.00 34.31 H new ATOM 0 HA THR A 81 -13.800 9.912 -20.432 1.00 10.41 H new ATOM 0 HB THR A 81 -11.022 8.812 -21.013 1.00 33.12 H new ATOM 0 HG1 THR A 81 -12.421 8.038 -22.596 1.00 33.11 H new ATOM 0 HG21 THR A 81 -11.625 7.084 -19.360 1.00 25.13 H new ATOM 0 HG22 THR A 81 -11.633 8.713 -18.642 1.00 25.13 H new ATOM 0 HG23 THR A 81 -13.169 7.917 -19.059 1.00 25.13 H new ATOM 1281 N ILE A 82 -10.821 11.361 -20.205 1.00 25.14 N ATOM 1282 CA ILE A 82 -10.019 12.269 -19.395 1.00 73.21 C ATOM 1283 C ILE A 82 -10.800 13.531 -19.046 1.00 31.43 C ATOM 1284 O ILE A 82 -10.635 14.098 -17.967 1.00 61.04 O ATOM 1285 CB ILE A 82 -8.718 12.667 -20.117 1.00 25.22 C ATOM 1286 CG1 ILE A 82 -7.894 11.422 -20.452 1.00 72.34 C ATOM 1287 CG2 ILE A 82 -7.909 13.630 -19.261 1.00 23.14 C ATOM 1288 CD1 ILE A 82 -6.848 11.659 -21.519 1.00 53.13 C ATOM 0 H ILE A 82 -10.368 11.050 -21.065 1.00 25.14 H new ATOM 0 HA ILE A 82 -9.768 11.735 -18.478 1.00 73.21 H new ATOM 0 HB ILE A 82 -8.977 13.170 -21.049 1.00 25.22 H new ATOM 0 HG12 ILE A 82 -7.403 11.066 -19.546 1.00 72.34 H new ATOM 0 HG13 ILE A 82 -8.566 10.630 -20.783 1.00 72.34 H new ATOM 0 HG21 ILE A 82 -6.993 13.901 -19.786 1.00 23.14 H new ATOM 0 HG22 ILE A 82 -8.497 14.528 -19.069 1.00 23.14 H new ATOM 0 HG23 ILE A 82 -7.657 13.152 -18.314 1.00 23.14 H new ATOM 0 HD11 ILE A 82 -6.302 10.734 -21.705 1.00 53.13 H new ATOM 0 HD12 ILE A 82 -7.334 11.985 -22.439 1.00 53.13 H new ATOM 0 HD13 ILE A 82 -6.153 12.429 -21.183 1.00 53.13 H new ATOM 1300 N ALA A 83 -11.653 13.967 -19.969 1.00 42.42 N ATOM 1301 CA ALA A 83 -12.463 15.159 -19.758 1.00 14.44 C ATOM 1302 C ALA A 83 -13.452 14.956 -18.615 1.00 12.01 C ATOM 1303 O ALA A 83 -13.384 15.640 -17.593 1.00 71.25 O ATOM 1304 CB ALA A 83 -13.201 15.530 -21.036 1.00 73.32 C ATOM 0 H ALA A 83 -11.800 13.511 -20.870 1.00 42.42 H new ATOM 0 HA ALA A 83 -11.796 15.977 -19.486 1.00 14.44 H new ATOM 0 HB1 ALA A 83 -13.802 16.423 -20.863 1.00 73.32 H new ATOM 0 HB2 ALA A 83 -12.479 15.727 -21.829 1.00 73.32 H new ATOM 0 HB3 ALA A 83 -13.851 14.707 -21.333 1.00 73.32 H new ATOM 1310 N VAL A 84 -14.371 14.014 -18.794 1.00 42.21 N ATOM 1311 CA VAL A 84 -15.375 13.721 -17.777 1.00 52.15 C ATOM 1312 C VAL A 84 -14.726 13.479 -16.419 1.00 61.34 C ATOM 1313 O VAL A 84 -15.143 14.048 -15.409 1.00 62.32 O ATOM 1314 CB VAL A 84 -16.216 12.488 -18.158 1.00 50.01 C ATOM 1315 CG1 VAL A 84 -17.245 12.190 -17.078 1.00 62.35 C ATOM 1316 CG2 VAL A 84 -16.892 12.701 -19.505 1.00 43.01 C ATOM 0 H VAL A 84 -14.442 13.440 -19.634 1.00 42.21 H new ATOM 0 HA VAL A 84 -16.027 14.592 -17.715 1.00 52.15 H new ATOM 0 HB VAL A 84 -15.552 11.628 -18.242 1.00 50.01 H new ATOM 0 HG11 VAL A 84 -17.830 11.316 -17.364 1.00 62.35 H new ATOM 0 HG12 VAL A 84 -16.736 11.993 -16.135 1.00 62.35 H new ATOM 0 HG13 VAL A 84 -17.908 13.047 -16.960 1.00 62.35 H new ATOM 0 HG21 VAL A 84 -17.482 11.821 -19.759 1.00 43.01 H new ATOM 0 HG22 VAL A 84 -17.545 13.572 -19.451 1.00 43.01 H new ATOM 0 HG23 VAL A 84 -16.134 12.863 -20.271 1.00 43.01 H new ATOM 1326 N LEU A 85 -13.702 12.632 -16.400 1.00 2.14 N ATOM 1327 CA LEU A 85 -12.994 12.315 -15.166 1.00 41.24 C ATOM 1328 C LEU A 85 -12.427 13.577 -14.523 1.00 34.03 C ATOM 1329 O LEU A 85 -12.518 13.763 -13.310 1.00 11.43 O ATOM 1330 CB LEU A 85 -11.866 11.320 -15.443 1.00 44.12 C ATOM 1331 CG LEU A 85 -11.441 10.442 -14.264 1.00 22.12 C ATOM 1332 CD1 LEU A 85 -12.537 9.447 -13.917 1.00 55.23 C ATOM 1333 CD2 LEU A 85 -10.141 9.718 -14.581 1.00 62.34 C ATOM 0 H LEU A 85 -13.344 12.153 -17.226 1.00 2.14 H new ATOM 0 HA LEU A 85 -13.706 11.865 -14.474 1.00 41.24 H new ATOM 0 HB2 LEU A 85 -12.175 10.670 -16.262 1.00 44.12 H new ATOM 0 HB3 LEU A 85 -10.995 11.876 -15.789 1.00 44.12 H new ATOM 0 HG LEU A 85 -11.275 11.084 -13.399 1.00 22.12 H new ATOM 0 HD11 LEU A 85 -12.217 8.831 -13.076 1.00 55.23 H new ATOM 0 HD12 LEU A 85 -13.445 9.986 -13.647 1.00 55.23 H new ATOM 0 HD13 LEU A 85 -12.736 8.810 -14.779 1.00 55.23 H new ATOM 0 HD21 LEU A 85 -9.853 9.098 -13.732 1.00 62.34 H new ATOM 0 HD22 LEU A 85 -10.280 9.088 -15.459 1.00 62.34 H new ATOM 0 HD23 LEU A 85 -9.357 10.449 -14.779 1.00 62.34 H new ATOM 1345 N TYR A 86 -11.843 14.442 -15.346 1.00 53.22 N ATOM 1346 CA TYR A 86 -11.261 15.687 -14.858 1.00 22.00 C ATOM 1347 C TYR A 86 -12.301 16.520 -14.114 1.00 32.20 C ATOM 1348 O TYR A 86 -12.112 16.872 -12.950 1.00 12.23 O ATOM 1349 CB TYR A 86 -10.682 16.493 -16.022 1.00 32.03 C ATOM 1350 CG TYR A 86 -10.243 17.887 -15.633 1.00 12.21 C ATOM 1351 CD1 TYR A 86 -9.270 18.085 -14.662 1.00 62.43 C ATOM 1352 CD2 TYR A 86 -10.801 19.007 -16.237 1.00 30.44 C ATOM 1353 CE1 TYR A 86 -8.866 19.356 -14.303 1.00 74.22 C ATOM 1354 CE2 TYR A 86 -10.403 20.282 -15.886 1.00 11.41 C ATOM 1355 CZ TYR A 86 -9.435 20.451 -14.918 1.00 55.01 C ATOM 1356 OH TYR A 86 -9.035 21.720 -14.564 1.00 63.42 O ATOM 0 H TYR A 86 -11.760 14.304 -16.353 1.00 53.22 H new ATOM 0 HA TYR A 86 -10.459 15.437 -14.163 1.00 22.00 H new ATOM 0 HB2 TYR A 86 -9.830 15.955 -16.437 1.00 32.03 H new ATOM 0 HB3 TYR A 86 -11.430 16.564 -16.812 1.00 32.03 H new ATOM 0 HD1 TYR A 86 -8.821 17.230 -14.179 1.00 62.43 H new ATOM 0 HD2 TYR A 86 -11.560 18.878 -16.995 1.00 30.44 H new ATOM 0 HE1 TYR A 86 -8.109 19.491 -13.545 1.00 74.22 H new ATOM 0 HE2 TYR A 86 -10.847 21.141 -16.366 1.00 11.41 H new ATOM 0 HH TYR A 86 -9.533 22.379 -15.092 1.00 63.42 H new ATOM 1366 N CYS A 87 -13.398 16.830 -14.795 1.00 70.23 N ATOM 1367 CA CYS A 87 -14.469 17.621 -14.201 1.00 51.23 C ATOM 1368 C CYS A 87 -14.906 17.029 -12.865 1.00 64.14 C ATOM 1369 O CYS A 87 -15.183 17.756 -11.911 1.00 33.20 O ATOM 1370 CB CYS A 87 -15.663 17.699 -15.153 1.00 55.32 C ATOM 1371 SG CYS A 87 -15.668 19.164 -16.212 1.00 14.42 S ATOM 0 H CYS A 87 -13.569 16.545 -15.759 1.00 70.23 H new ATOM 0 HA CYS A 87 -14.088 18.627 -14.025 1.00 51.23 H new ATOM 0 HB2 CYS A 87 -15.671 16.809 -15.782 1.00 55.32 H new ATOM 0 HB3 CYS A 87 -16.582 17.684 -14.568 1.00 55.32 H new ATOM 0 HG CYS A 87 -16.870 19.371 -16.661 1.00 14.42 H new ATOM 1377 N VAL A 88 -14.968 15.702 -12.804 1.00 2.05 N ATOM 1378 CA VAL A 88 -15.372 15.010 -11.586 1.00 24.03 C ATOM 1379 C VAL A 88 -14.461 15.374 -10.420 1.00 40.32 C ATOM 1380 O VAL A 88 -14.915 15.518 -9.284 1.00 42.21 O ATOM 1381 CB VAL A 88 -15.358 13.482 -11.778 1.00 5.51 C ATOM 1382 CG1 VAL A 88 -15.754 12.779 -10.488 1.00 40.32 C ATOM 1383 CG2 VAL A 88 -16.281 13.079 -12.918 1.00 34.23 C ATOM 0 H VAL A 88 -14.743 15.085 -13.584 1.00 2.05 H new ATOM 0 HA VAL A 88 -16.389 15.331 -11.362 1.00 24.03 H new ATOM 0 HB VAL A 88 -14.344 13.175 -12.036 1.00 5.51 H new ATOM 0 HG11 VAL A 88 -15.739 11.700 -10.642 1.00 40.32 H new ATOM 0 HG12 VAL A 88 -15.050 13.043 -9.699 1.00 40.32 H new ATOM 0 HG13 VAL A 88 -16.758 13.090 -10.198 1.00 40.32 H new ATOM 0 HG21 VAL A 88 -16.258 11.996 -13.039 1.00 34.23 H new ATOM 0 HG22 VAL A 88 -17.299 13.398 -12.692 1.00 34.23 H new ATOM 0 HG23 VAL A 88 -15.948 13.554 -13.841 1.00 34.23 H new ATOM 1393 N HIS A 89 -13.171 15.521 -10.706 1.00 21.54 N ATOM 1394 CA HIS A 89 -12.193 15.869 -9.682 1.00 3.41 C ATOM 1395 C HIS A 89 -12.138 17.380 -9.476 1.00 32.11 C ATOM 1396 O HIS A 89 -11.570 17.792 -8.465 1.00 31.01 O ATOM 1397 CB HIS A 89 -10.809 15.345 -10.067 1.00 22.32 C ATOM 1398 CG HIS A 89 -10.773 13.867 -10.303 1.00 5.21 C ATOM 1399 ND1 HIS A 89 -11.598 12.979 -9.644 1.00 40.13 N ATOM 1400 CD2 HIS A 89 -10.007 13.120 -11.132 1.00 54.40 C ATOM 1401 CE1 HIS A 89 -11.338 11.752 -10.057 1.00 63.41 C ATOM 1402 NE2 HIS A 89 -10.377 11.810 -10.961 1.00 1.23 N ATOM 0 H HIS A 89 -12.779 15.404 -11.640 1.00 21.54 H new ATOM 0 HA HIS A 89 -12.502 15.402 -8.747 1.00 3.41 H new ATOM 0 HB2 HIS A 89 -10.474 15.857 -10.969 1.00 22.32 H new ATOM 0 HB3 HIS A 89 -10.102 15.596 -9.276 1.00 22.32 H new ATOM 0 HD1 HIS A 89 -12.299 13.231 -8.947 1.00 40.13 H new ATOM 0 HD2 HIS A 89 -9.245 13.487 -11.804 1.00 54.40 H new ATOM 0 HE1 HIS A 89 -11.828 10.853 -9.714 1.00 63.41 H new ATOM 0 HE2 HIS A 89 -9.975 11.011 -11.452 1.00 1.23 H new ATOM 1411 N GLN A 90 -12.693 18.187 -10.375 1.00 51.21 N ATOM 1412 CA GLN A 90 -12.664 19.637 -10.220 1.00 32.30 C ATOM 1413 C GLN A 90 -13.984 20.150 -9.655 1.00 31.11 C ATOM 1414 O GLN A 90 -14.361 21.301 -9.880 1.00 44.33 O ATOM 1415 CB GLN A 90 -12.375 20.308 -11.564 1.00 11.31 C ATOM 1416 CG GLN A 90 -11.282 21.361 -11.495 1.00 54.54 C ATOM 1417 CD GLN A 90 -11.749 22.721 -11.975 1.00 14.55 C ATOM 1418 OE1 GLN A 90 -11.986 22.924 -13.166 1.00 12.24 O ATOM 1419 NE2 GLN A 90 -11.886 23.662 -11.047 1.00 72.25 N ATOM 0 H GLN A 90 -13.168 17.862 -11.217 1.00 51.21 H new ATOM 0 HA GLN A 90 -11.868 19.887 -9.518 1.00 32.30 H new ATOM 0 HB2 GLN A 90 -12.088 19.545 -12.287 1.00 11.31 H new ATOM 0 HB3 GLN A 90 -13.290 20.770 -11.934 1.00 11.31 H new ATOM 0 HG2 GLN A 90 -10.928 21.445 -10.467 1.00 54.54 H new ATOM 0 HG3 GLN A 90 -10.434 21.039 -12.099 1.00 54.54 H new ATOM 0 HE21 GLN A 90 -11.678 23.450 -10.071 1.00 72.25 H new ATOM 0 HE22 GLN A 90 -12.199 24.596 -11.310 1.00 72.25 H new ATOM 1428 N ARG A 91 -14.684 19.290 -8.922 1.00 74.35 N ATOM 1429 CA ARG A 91 -15.962 19.656 -8.325 1.00 22.43 C ATOM 1430 C ARG A 91 -16.978 20.026 -9.403 1.00 71.30 C ATOM 1431 O ARG A 91 -17.728 20.991 -9.257 1.00 35.43 O ATOM 1432 CB ARG A 91 -15.781 20.827 -7.358 1.00 42.22 C ATOM 1433 CG ARG A 91 -16.718 20.778 -6.162 1.00 21.01 C ATOM 1434 CD ARG A 91 -15.991 20.339 -4.901 1.00 55.45 C ATOM 1435 NE ARG A 91 -15.221 21.429 -4.305 1.00 32.31 N ATOM 1436 CZ ARG A 91 -14.332 21.256 -3.333 1.00 25.25 C ATOM 1437 NH1 ARG A 91 -14.104 20.043 -2.848 1.00 15.11 N1+ ATOM 1438 NH2 ARG A 91 -13.672 22.297 -2.843 1.00 63.34 N ATOM 0 H ARG A 91 -14.387 18.334 -8.727 1.00 74.35 H new ATOM 0 HA ARG A 91 -16.338 18.794 -7.774 1.00 22.43 H new ATOM 0 HB2 ARG A 91 -14.751 20.838 -7.002 1.00 42.22 H new ATOM 0 HB3 ARG A 91 -15.942 21.761 -7.897 1.00 42.22 H new ATOM 0 HG2 ARG A 91 -17.160 21.762 -6.004 1.00 21.01 H new ATOM 0 HG3 ARG A 91 -17.538 20.090 -6.369 1.00 21.01 H new ATOM 0 HD2 ARG A 91 -16.715 19.968 -4.176 1.00 55.45 H new ATOM 0 HD3 ARG A 91 -15.323 19.510 -5.137 1.00 55.45 H new ATOM 0 HE ARG A 91 -15.375 22.375 -4.655 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -14.612 19.241 -3.221 1.00 15.11 H new ATOM 0 HH12 ARG A 91 -13.421 19.912 -2.102 1.00 15.11 H new ATOM 0 HH21 ARG A 91 -13.847 23.232 -3.212 1.00 63.34 H new ATOM 0 HH22 ARG A 91 -12.990 22.163 -2.097 1.00 63.34 H new ATOM 1452 N ILE A 92 -16.995 19.252 -10.483 1.00 70.12 N ATOM 1453 CA ILE A 92 -17.919 19.498 -11.583 1.00 72.51 C ATOM 1454 C ILE A 92 -18.724 18.247 -11.916 1.00 31.12 C ATOM 1455 O ILE A 92 -18.211 17.130 -11.846 1.00 44.51 O ATOM 1456 CB ILE A 92 -17.175 19.968 -12.849 1.00 65.02 C ATOM 1457 CG1 ILE A 92 -16.380 21.242 -12.557 1.00 2.22 C ATOM 1458 CG2 ILE A 92 -18.158 20.198 -13.986 1.00 74.41 C ATOM 1459 CD1 ILE A 92 -15.531 21.703 -13.720 1.00 54.42 C ATOM 0 H ILE A 92 -16.380 18.450 -10.620 1.00 70.12 H new ATOM 0 HA ILE A 92 -18.597 20.286 -11.255 1.00 72.51 H new ATOM 0 HB ILE A 92 -16.476 19.189 -13.152 1.00 65.02 H new ATOM 0 HG12 ILE A 92 -17.072 22.039 -12.285 1.00 2.22 H new ATOM 0 HG13 ILE A 92 -15.737 21.070 -11.694 1.00 2.22 H new ATOM 0 HG21 ILE A 92 -17.618 20.529 -14.873 1.00 74.41 H new ATOM 0 HG22 ILE A 92 -18.683 19.268 -14.207 1.00 74.41 H new ATOM 0 HG23 ILE A 92 -18.879 20.961 -13.694 1.00 74.41 H new ATOM 0 HD11 ILE A 92 -14.995 22.611 -13.442 1.00 54.42 H new ATOM 0 HD12 ILE A 92 -14.814 20.924 -13.979 1.00 54.42 H new ATOM 0 HD13 ILE A 92 -16.170 21.907 -14.579 1.00 54.42 H new ATOM 1471 N ASP A 93 -19.987 18.442 -12.280 1.00 60.32 N ATOM 1472 CA ASP A 93 -20.863 17.329 -12.626 1.00 1.03 C ATOM 1473 C ASP A 93 -21.592 17.600 -13.939 1.00 21.23 C ATOM 1474 O ASP A 93 -22.324 18.582 -14.064 1.00 3.40 O ATOM 1475 CB ASP A 93 -21.876 17.083 -11.507 1.00 20.11 C ATOM 1476 CG ASP A 93 -21.210 16.808 -10.173 1.00 23.33 C ATOM 1477 OD1 ASP A 93 -20.183 16.098 -10.159 1.00 71.03 O1- ATOM 1478 OD2 ASP A 93 -21.716 17.302 -9.145 1.00 45.43 O ATOM 0 H ASP A 93 -20.427 19.360 -12.343 1.00 60.32 H new ATOM 0 HA ASP A 93 -20.247 16.438 -12.750 1.00 1.03 H new ATOM 0 HB2 ASP A 93 -22.527 17.952 -11.412 1.00 20.11 H new ATOM 0 HB3 ASP A 93 -22.510 16.238 -11.774 1.00 20.11 H new ATOM 1483 N VAL A 94 -21.385 16.723 -14.916 1.00 22.14 N ATOM 1484 CA VAL A 94 -22.023 16.868 -16.220 1.00 63.33 C ATOM 1485 C VAL A 94 -22.879 15.651 -16.551 1.00 42.41 C ATOM 1486 O VAL A 94 -22.868 14.654 -15.827 1.00 72.32 O ATOM 1487 CB VAL A 94 -20.980 17.066 -17.336 1.00 62.25 C ATOM 1488 CG1 VAL A 94 -20.110 18.279 -17.045 1.00 43.11 C ATOM 1489 CG2 VAL A 94 -20.128 15.815 -17.497 1.00 1.10 C ATOM 0 H VAL A 94 -20.781 15.905 -14.830 1.00 22.14 H new ATOM 0 HA VAL A 94 -22.658 17.752 -16.165 1.00 63.33 H new ATOM 0 HB VAL A 94 -21.506 17.243 -18.274 1.00 62.25 H new ATOM 0 HG11 VAL A 94 -19.379 18.403 -17.844 1.00 43.11 H new ATOM 0 HG12 VAL A 94 -20.736 19.169 -16.984 1.00 43.11 H new ATOM 0 HG13 VAL A 94 -19.591 18.135 -16.098 1.00 43.11 H new ATOM 0 HG21 VAL A 94 -19.397 15.972 -18.290 1.00 1.10 H new ATOM 0 HG22 VAL A 94 -19.610 15.605 -16.561 1.00 1.10 H new ATOM 0 HG23 VAL A 94 -20.767 14.970 -17.755 1.00 1.10 H new ATOM 1499 N LYS A 95 -23.622 15.737 -17.649 1.00 1.34 N ATOM 1500 CA LYS A 95 -24.485 14.643 -18.078 1.00 10.03 C ATOM 1501 C LYS A 95 -23.814 13.818 -19.172 1.00 74.11 C ATOM 1502 O LYS A 95 -24.089 12.628 -19.321 1.00 24.33 O ATOM 1503 CB LYS A 95 -25.822 15.190 -18.584 1.00 44.14 C ATOM 1504 CG LYS A 95 -26.951 15.063 -17.575 1.00 14.12 C ATOM 1505 CD LYS A 95 -26.609 15.755 -16.266 1.00 34.32 C ATOM 1506 CE LYS A 95 -27.801 15.784 -15.323 1.00 41.41 C ATOM 1507 NZ LYS A 95 -27.400 15.521 -13.912 1.00 32.44 N1+ ATOM 0 H LYS A 95 -23.644 16.554 -18.259 1.00 1.34 H new ATOM 0 HA LYS A 95 -24.665 13.997 -17.219 1.00 10.03 H new ATOM 0 HB2 LYS A 95 -25.699 16.240 -18.849 1.00 44.14 H new ATOM 0 HB3 LYS A 95 -26.100 14.662 -19.496 1.00 44.14 H new ATOM 0 HG2 LYS A 95 -27.861 15.496 -17.990 1.00 14.12 H new ATOM 0 HG3 LYS A 95 -27.156 14.009 -17.388 1.00 14.12 H new ATOM 0 HD2 LYS A 95 -25.777 15.239 -15.787 1.00 34.32 H new ATOM 0 HD3 LYS A 95 -26.278 16.774 -16.467 1.00 34.32 H new ATOM 0 HE2 LYS A 95 -28.290 16.756 -15.386 1.00 41.41 H new ATOM 0 HE3 LYS A 95 -28.531 15.038 -15.638 1.00 41.41 H new ATOM 0 HZ1 LYS A 95 -28.241 15.549 -13.301 1.00 32.44 H new ATOM 0 HZ2 LYS A 95 -26.956 14.583 -13.846 1.00 32.44 H new ATOM 0 HZ3 LYS A 95 -26.723 16.247 -13.603 1.00 32.44 H new ATOM 1521 N ASP A 96 -22.932 14.458 -19.932 1.00 11.41 N ATOM 1522 CA ASP A 96 -22.221 13.783 -21.011 1.00 51.55 C ATOM 1523 C ASP A 96 -20.781 14.278 -21.104 1.00 32.32 C ATOM 1524 O ASP A 96 -20.342 15.104 -20.303 1.00 1.31 O ATOM 1525 CB ASP A 96 -22.937 14.007 -22.343 1.00 5.34 C ATOM 1526 CG ASP A 96 -23.237 15.470 -22.601 1.00 4.11 C ATOM 1527 OD1 ASP A 96 -24.283 15.954 -22.121 1.00 13.03 O1- ATOM 1528 OD2 ASP A 96 -22.426 16.130 -23.283 1.00 34.03 O ATOM 0 H ASP A 96 -22.693 15.443 -19.821 1.00 11.41 H new ATOM 0 HA ASP A 96 -22.207 12.715 -20.791 1.00 51.55 H new ATOM 0 HB2 ASP A 96 -22.321 13.617 -23.153 1.00 5.34 H new ATOM 0 HB3 ASP A 96 -23.869 13.441 -22.351 1.00 5.34 H new ATOM 1533 N THR A 97 -20.048 13.768 -22.090 1.00 51.34 N ATOM 1534 CA THR A 97 -18.657 14.156 -22.287 1.00 73.41 C ATOM 1535 C THR A 97 -18.557 15.538 -22.924 1.00 53.03 C ATOM 1536 O THR A 97 -17.636 16.301 -22.633 1.00 12.12 O ATOM 1537 CB THR A 97 -17.910 13.140 -23.172 1.00 0.13 C ATOM 1538 OG1 THR A 97 -18.027 11.826 -22.615 1.00 55.02 O ATOM 1539 CG2 THR A 97 -16.441 13.514 -23.304 1.00 43.41 C ATOM 0 H THR A 97 -20.395 13.086 -22.764 1.00 51.34 H new ATOM 0 HA THR A 97 -18.192 14.178 -21.301 1.00 73.41 H new ATOM 0 HB THR A 97 -18.361 13.154 -24.164 1.00 0.13 H new ATOM 0 HG1 THR A 97 -18.956 11.666 -22.347 1.00 55.02 H new ATOM 0 HG21 THR A 97 -15.934 12.782 -23.933 1.00 43.41 H new ATOM 0 HG22 THR A 97 -16.356 14.502 -23.756 1.00 43.41 H new ATOM 0 HG23 THR A 97 -15.979 13.526 -22.317 1.00 43.41 H new ATOM 1547 N LYS A 98 -19.510 15.853 -23.794 1.00 10.51 N ATOM 1548 CA LYS A 98 -19.532 17.145 -24.471 1.00 72.03 C ATOM 1549 C LYS A 98 -19.673 18.284 -23.466 1.00 1.02 C ATOM 1550 O LYS A 98 -18.999 19.307 -23.577 1.00 53.43 O ATOM 1551 CB LYS A 98 -20.681 17.195 -25.480 1.00 21.10 C ATOM 1552 CG LYS A 98 -20.236 17.531 -26.892 1.00 62.33 C ATOM 1553 CD LYS A 98 -21.231 18.444 -27.590 1.00 51.23 C ATOM 1554 CE LYS A 98 -21.177 19.857 -27.031 1.00 50.25 C ATOM 1555 NZ LYS A 98 -22.446 20.598 -27.272 1.00 53.45 N1+ ATOM 0 H LYS A 98 -20.278 15.231 -24.047 1.00 10.51 H new ATOM 0 HA LYS A 98 -18.587 17.266 -25.000 1.00 72.03 H new ATOM 0 HB2 LYS A 98 -21.189 16.230 -25.488 1.00 21.10 H new ATOM 0 HB3 LYS A 98 -21.410 17.936 -25.152 1.00 21.10 H new ATOM 0 HG2 LYS A 98 -19.259 18.013 -26.861 1.00 62.33 H new ATOM 0 HG3 LYS A 98 -20.120 16.612 -27.466 1.00 62.33 H new ATOM 0 HD2 LYS A 98 -21.019 18.466 -28.659 1.00 51.23 H new ATOM 0 HD3 LYS A 98 -22.238 18.044 -27.473 1.00 51.23 H new ATOM 0 HE2 LYS A 98 -20.978 19.816 -25.960 1.00 50.25 H new ATOM 0 HE3 LYS A 98 -20.348 20.397 -27.489 1.00 50.25 H new ATOM 0 HZ1 LYS A 98 -22.369 21.557 -26.876 1.00 53.45 H new ATOM 0 HZ2 LYS A 98 -22.623 20.659 -28.295 1.00 53.45 H new ATOM 0 HZ3 LYS A 98 -23.233 20.096 -26.814 1.00 53.45 H new ATOM 1569 N GLU A 99 -20.552 18.097 -22.486 1.00 61.10 N ATOM 1570 CA GLU A 99 -20.780 19.110 -21.463 1.00 40.34 C ATOM 1571 C GLU A 99 -19.479 19.457 -20.741 1.00 24.24 C ATOM 1572 O GLU A 99 -19.108 20.625 -20.637 1.00 40.15 O ATOM 1573 CB GLU A 99 -21.821 18.622 -20.454 1.00 55.44 C ATOM 1574 CG GLU A 99 -23.237 19.066 -20.778 1.00 5.41 C ATOM 1575 CD GLU A 99 -23.821 19.976 -19.714 1.00 71.30 C ATOM 1576 OE1 GLU A 99 -23.560 19.736 -18.517 1.00 63.53 O1- ATOM 1577 OE2 GLU A 99 -24.540 20.930 -20.081 1.00 40.54 O ATOM 0 H GLU A 99 -21.117 17.254 -22.379 1.00 61.10 H new ATOM 0 HA GLU A 99 -21.154 20.008 -21.954 1.00 40.34 H new ATOM 0 HB2 GLU A 99 -21.791 17.533 -20.412 1.00 55.44 H new ATOM 0 HB3 GLU A 99 -21.553 18.987 -19.463 1.00 55.44 H new ATOM 0 HG2 GLU A 99 -23.241 19.585 -21.737 1.00 5.41 H new ATOM 0 HG3 GLU A 99 -23.873 18.188 -20.889 1.00 5.41 H new ATOM 1584 N ALA A 100 -18.794 18.432 -20.244 1.00 32.53 N ATOM 1585 CA ALA A 100 -17.536 18.627 -19.535 1.00 52.23 C ATOM 1586 C ALA A 100 -16.514 19.339 -20.414 1.00 22.41 C ATOM 1587 O ALA A 100 -15.868 20.295 -19.983 1.00 21.31 O ATOM 1588 CB ALA A 100 -16.986 17.290 -19.060 1.00 13.20 C ATOM 0 H ALA A 100 -19.089 17.459 -20.320 1.00 32.53 H new ATOM 0 HA ALA A 100 -17.731 19.257 -18.667 1.00 52.23 H new ATOM 0 HB1 ALA A 100 -16.046 17.450 -18.532 1.00 13.20 H new ATOM 0 HB2 ALA A 100 -17.704 16.819 -18.388 1.00 13.20 H new ATOM 0 HB3 ALA A 100 -16.814 16.642 -19.919 1.00 13.20 H new ATOM 1594 N LEU A 101 -16.371 18.868 -21.648 1.00 23.23 N ATOM 1595 CA LEU A 101 -15.427 19.460 -22.589 1.00 42.35 C ATOM 1596 C LEU A 101 -15.670 20.959 -22.733 1.00 71.13 C ATOM 1597 O LEU A 101 -14.729 21.737 -22.892 1.00 21.21 O ATOM 1598 CB LEU A 101 -15.542 18.779 -23.954 1.00 30.22 C ATOM 1599 CG LEU A 101 -15.087 17.321 -24.017 1.00 62.44 C ATOM 1600 CD1 LEU A 101 -15.760 16.601 -25.176 1.00 43.04 C ATOM 1601 CD2 LEU A 101 -13.573 17.239 -24.144 1.00 32.41 C ATOM 0 H LEU A 101 -16.897 18.077 -22.020 1.00 23.23 H new ATOM 0 HA LEU A 101 -14.420 19.310 -22.199 1.00 42.35 H new ATOM 0 HB2 LEU A 101 -16.582 18.828 -24.276 1.00 30.22 H new ATOM 0 HB3 LEU A 101 -14.958 19.352 -24.674 1.00 30.22 H new ATOM 0 HG LEU A 101 -15.381 16.829 -23.090 1.00 62.44 H new ATOM 0 HD11 LEU A 101 -15.424 15.565 -25.205 1.00 43.04 H new ATOM 0 HD12 LEU A 101 -16.841 16.628 -25.043 1.00 43.04 H new ATOM 0 HD13 LEU A 101 -15.497 17.094 -26.112 1.00 43.04 H new ATOM 0 HD21 LEU A 101 -13.268 16.194 -24.187 1.00 32.41 H new ATOM 0 HD22 LEU A 101 -13.256 17.748 -25.054 1.00 32.41 H new ATOM 0 HD23 LEU A 101 -13.109 17.717 -23.281 1.00 32.41 H new ATOM 1613 N ASP A 102 -16.936 21.356 -22.675 1.00 33.23 N ATOM 1614 CA ASP A 102 -17.302 22.762 -22.797 1.00 12.24 C ATOM 1615 C ASP A 102 -16.805 23.559 -21.594 1.00 11.52 C ATOM 1616 O ASP A 102 -16.398 24.714 -21.725 1.00 2.23 O ATOM 1617 CB ASP A 102 -18.819 22.907 -22.928 1.00 20.53 C ATOM 1618 CG ASP A 102 -19.232 24.301 -23.361 1.00 64.02 C ATOM 1619 OD1 ASP A 102 -18.343 25.096 -23.727 1.00 74.24 O1- ATOM 1620 OD2 ASP A 102 -20.445 24.595 -23.333 1.00 3.03 O ATOM 0 H ASP A 102 -17.726 20.724 -22.544 1.00 33.23 H new ATOM 0 HA ASP A 102 -16.828 23.159 -23.695 1.00 12.24 H new ATOM 0 HB2 ASP A 102 -19.189 22.180 -23.651 1.00 20.53 H new ATOM 0 HB3 ASP A 102 -19.287 22.673 -21.972 1.00 20.53 H new ATOM 1625 N LYS A 103 -16.843 22.935 -20.421 1.00 61.45 N ATOM 1626 CA LYS A 103 -16.397 23.584 -19.194 1.00 71.30 C ATOM 1627 C LYS A 103 -14.881 23.751 -19.187 1.00 61.14 C ATOM 1628 O LYS A 103 -14.361 24.762 -18.714 1.00 15.51 O ATOM 1629 CB LYS A 103 -16.836 22.770 -17.974 1.00 0.14 C ATOM 1630 CG LYS A 103 -17.740 23.538 -17.026 1.00 24.01 C ATOM 1631 CD LYS A 103 -19.173 23.582 -17.534 1.00 75.04 C ATOM 1632 CE LYS A 103 -20.165 23.259 -16.429 1.00 5.42 C ATOM 1633 NZ LYS A 103 -20.724 24.492 -15.807 1.00 11.34 N1+ ATOM 0 H LYS A 103 -17.178 21.980 -20.295 1.00 61.45 H new ATOM 0 HA LYS A 103 -16.854 24.572 -19.148 1.00 71.30 H new ATOM 0 HB2 LYS A 103 -17.356 21.874 -18.313 1.00 0.14 H new ATOM 0 HB3 LYS A 103 -15.951 22.439 -17.431 1.00 0.14 H new ATOM 0 HG2 LYS A 103 -17.716 23.071 -16.041 1.00 24.01 H new ATOM 0 HG3 LYS A 103 -17.364 24.554 -16.906 1.00 24.01 H new ATOM 0 HD2 LYS A 103 -19.387 24.571 -17.939 1.00 75.04 H new ATOM 0 HD3 LYS A 103 -19.293 22.871 -18.351 1.00 75.04 H new ATOM 0 HE2 LYS A 103 -20.978 22.657 -16.835 1.00 5.42 H new ATOM 0 HE3 LYS A 103 -19.674 22.657 -15.664 1.00 5.42 H new ATOM 0 HZ1 LYS A 103 -21.396 24.229 -15.058 1.00 11.34 H new ATOM 0 HZ2 LYS A 103 -19.952 25.055 -15.397 1.00 11.34 H new ATOM 0 HZ3 LYS A 103 -21.215 25.054 -16.531 1.00 11.34 H new ATOM 1647 N ILE A 104 -14.177 22.755 -19.716 1.00 32.31 N ATOM 1648 CA ILE A 104 -12.721 22.795 -19.773 1.00 1.52 C ATOM 1649 C ILE A 104 -12.237 23.869 -20.741 1.00 12.32 C ATOM 1650 O ILE A 104 -11.390 24.692 -20.397 1.00 1.12 O ATOM 1651 CB ILE A 104 -12.137 21.434 -20.199 1.00 55.51 C ATOM 1652 CG1 ILE A 104 -12.611 20.332 -19.249 1.00 62.23 C ATOM 1653 CG2 ILE A 104 -10.617 21.497 -20.229 1.00 15.14 C ATOM 1654 CD1 ILE A 104 -12.341 18.935 -19.763 1.00 4.23 C ATOM 0 H ILE A 104 -14.592 21.911 -20.111 1.00 32.31 H new ATOM 0 HA ILE A 104 -12.372 23.033 -18.768 1.00 1.52 H new ATOM 0 HB ILE A 104 -12.492 21.200 -21.203 1.00 55.51 H new ATOM 0 HG12 ILE A 104 -12.118 20.457 -18.285 1.00 62.23 H new ATOM 0 HG13 ILE A 104 -13.681 20.447 -19.077 1.00 62.23 H new ATOM 0 HG21 ILE A 104 -10.219 20.529 -20.532 1.00 15.14 H new ATOM 0 HG22 ILE A 104 -10.298 22.259 -20.941 1.00 15.14 H new ATOM 0 HG23 ILE A 104 -10.244 21.749 -19.236 1.00 15.14 H new ATOM 0 HD11 ILE A 104 -12.703 18.205 -19.039 1.00 4.23 H new ATOM 0 HD12 ILE A 104 -12.856 18.791 -20.713 1.00 4.23 H new ATOM 0 HD13 ILE A 104 -11.269 18.802 -19.908 1.00 4.23 H new ATOM 1666 N GLU A 105 -12.784 23.854 -21.953 1.00 14.33 N ATOM 1667 CA GLU A 105 -12.408 24.828 -22.971 1.00 71.10 C ATOM 1668 C GLU A 105 -12.551 26.252 -22.441 1.00 71.14 C ATOM 1669 O GLU A 105 -11.702 27.107 -22.693 1.00 45.42 O ATOM 1670 CB GLU A 105 -13.270 24.650 -24.222 1.00 22.41 C ATOM 1671 CG GLU A 105 -13.016 25.699 -25.291 1.00 20.03 C ATOM 1672 CD GLU A 105 -13.770 25.418 -26.576 1.00 61.13 C ATOM 1673 OE1 GLU A 105 -13.970 24.227 -26.896 1.00 31.14 O ATOM 1674 OE2 GLU A 105 -14.159 26.386 -27.262 1.00 52.23 O1- ATOM 0 H GLU A 105 -13.488 23.179 -22.253 1.00 14.33 H new ATOM 0 HA GLU A 105 -11.363 24.658 -23.231 1.00 71.10 H new ATOM 0 HB2 GLU A 105 -13.084 23.662 -24.643 1.00 22.41 H new ATOM 0 HB3 GLU A 105 -14.321 24.682 -23.936 1.00 22.41 H new ATOM 0 HG2 GLU A 105 -13.307 26.678 -24.910 1.00 20.03 H new ATOM 0 HG3 GLU A 105 -11.948 25.744 -25.504 1.00 20.03 H new