USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 936 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 89 SER OG : rot 180:sc= -0.209 USER MOD Set 1.2: A 142 SER OG : rot 180:sc= -0.366 USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -1.51! F(o=-3.2,f=-1.6!) USER MOD Set 2.2: A 148 THR OG1 : rot -180:sc= -0.0815! USER MOD Set 3.1: A 83 HIS : no HD1:sc= -0.288 X(o=-1.2,f=-1.1) USER MOD Set 3.2: A 145 ASN : amide:sc= -0.93 K(o=-1.2,f=-2) USER MOD Set 4.1: A 61 GLN : amide:sc= -0.285 K(o=-1.4,f=-3.4) USER MOD Set 4.2: A 135 TYR OH : rot -134:sc= -1.09 USER MOD Set 5.1: A 10 ASN : amide:sc= -1.67 K(o=-1.5,f=-3.6!) USER MOD Set 5.2: A 66 THR OG1 : rot -32:sc= 0.128 USER MOD Single : A 1 CYS N :NH3+ -118:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -17:sc= 0.725 USER MOD Single : A 15 SER OG : rot -62:sc= 0.693 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 17 MET CE :methyl -111:sc= -0.021 (180deg=-0.885) USER MOD Single : A 18 SER OG : rot 138:sc= -0.28 USER MOD Single : A 20 SER OG : rot 88:sc= 2.13 USER MOD Single : A 21 SER OG : rot -12:sc= -0.676 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -3.92 X(o=-3.9,f=-4.3!) USER MOD Single : A 42 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.6) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.567 K(o=-0.57,f=-1.1) USER MOD Single : A 50 THR OG1 : rot 105:sc= -1.54! USER MOD Single : A 52 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.52 F(o=-3.3,f=-2.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.1!) USER MOD Single : A 71 THR OG1 : rot -80:sc= -0.534 USER MOD Single : A 75 THR OG1 : rot 44:sc= -0.175 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.55 F(o=-2.3,f=-1.5) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.202) USER MOD Single : A 94 HIS : no HE2:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 95 SER OG : rot 84:sc= 1.16 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 178:sc= 1.99 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.021) USER MOD Single : A 116 ASN : amide:sc=-0.00523 X(o=-0.0052,f=-0.064) USER MOD Single : A 119 ASN : amide:sc= -2.68 K(o=-2.7,f=-3.6!) USER MOD Single : A 120 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.6!) USER MOD Single : A 121 SER OG : rot -29:sc= 0.572! USER MOD Single : A 122 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-2.8!) USER MOD Single : A 123 LYS NZ :NH3+ -163:sc= -0.0142 (180deg=-0.147) USER MOD Single : A 124 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0115) USER MOD Single : A 125 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.64) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -146:sc= -0.349 (180deg=-1.39!) USER MOD Single : A 144 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 2.705 14.299 -15.512 1.00 74.33 N ATOM 75 CA CYS A 1 2.429 13.747 -14.191 1.00 74.11 C ATOM 76 C CYS A 1 2.904 12.300 -14.096 1.00 2.44 C ATOM 77 O CYS A 1 3.508 11.772 -15.030 1.00 62.40 O ATOM 78 CB CYS A 1 0.932 13.824 -13.885 1.00 23.10 C ATOM 79 SG CYS A 1 0.412 15.385 -13.102 1.00 24.02 S ATOM 0 H1 CYS A 1 3.358 15.103 -15.423 1.00 74.33 H new ATOM 0 H2 CYS A 1 3.137 13.567 -16.111 1.00 74.33 H new ATOM 0 H3 CYS A 1 1.817 14.621 -15.946 1.00 74.33 H new ATOM 0 HA CYS A 1 2.974 14.340 -13.456 1.00 74.11 H new ATOM 0 HB2 CYS A 1 0.375 13.692 -14.813 1.00 23.10 H new ATOM 0 HB3 CYS A 1 0.663 12.995 -13.231 1.00 23.10 H new ATOM 83 N SER A 2 2.628 11.665 -12.962 1.00 32.41 N ATOM 84 CA SER A 2 3.030 10.281 -12.742 1.00 44.51 C ATOM 85 C SER A 2 4.550 10.156 -12.706 1.00 73.21 C ATOM 86 O SER A 2 5.160 9.598 -13.617 1.00 41.02 O ATOM 87 CB SER A 2 2.460 9.382 -13.841 1.00 50.42 C ATOM 88 OG SER A 2 1.211 9.869 -14.302 1.00 3.53 O ATOM 0 H SER A 2 2.127 12.087 -12.180 1.00 32.41 H new ATOM 0 HA SER A 2 2.633 9.962 -11.778 1.00 44.51 H new ATOM 0 HB2 SER A 2 3.163 9.329 -14.673 1.00 50.42 H new ATOM 0 HB3 SER A 2 2.340 8.368 -13.460 1.00 50.42 H new ATOM 0 HG SER A 2 0.869 9.278 -15.005 1.00 3.53 H new ATOM 93 N GLU A 3 5.155 10.682 -11.645 1.00 21.25 N ATOM 94 CA GLU A 3 6.604 10.629 -11.489 1.00 53.33 C ATOM 95 C GLU A 3 7.003 9.586 -10.449 1.00 54.15 C ATOM 96 O GLU A 3 6.228 9.230 -9.561 1.00 43.43 O ATOM 97 CB GLU A 3 7.145 12.002 -11.083 1.00 72.14 C ATOM 98 CG GLU A 3 7.109 13.027 -12.205 1.00 32.35 C ATOM 99 CD GLU A 3 8.038 12.672 -13.350 1.00 24.40 C ATOM 100 OE1 GLU A 3 7.652 11.829 -14.186 1.00 41.24 O ATOM 101 OE2 GLU A 3 9.150 13.234 -13.408 1.00 2.35 O ATOM 0 H GLU A 3 4.665 11.149 -10.882 1.00 21.25 H new ATOM 0 HA GLU A 3 7.036 10.344 -12.448 1.00 53.33 H new ATOM 0 HB2 GLU A 3 6.564 12.377 -10.241 1.00 72.14 H new ATOM 0 HB3 GLU A 3 8.173 11.890 -10.737 1.00 72.14 H new ATOM 0 HG2 GLU A 3 6.090 13.112 -12.582 1.00 32.35 H new ATOM 0 HG3 GLU A 3 7.384 14.004 -11.808 1.00 32.35 H new ATOM 106 N PRO A 4 8.241 9.084 -10.560 1.00 14.20 N ATOM 107 CA PRO A 4 8.772 8.075 -9.639 1.00 71.32 C ATOM 108 C PRO A 4 9.019 8.637 -8.243 1.00 2.41 C ATOM 109 O PRO A 4 8.598 9.750 -7.927 1.00 11.24 O ATOM 110 CB PRO A 4 10.093 7.660 -10.290 1.00 3.22 C ATOM 111 CG PRO A 4 10.499 8.837 -11.109 1.00 64.04 C ATOM 112 CD PRO A 4 9.220 9.463 -11.593 1.00 53.12 C ATOM 0 HA PRO A 4 8.075 7.249 -9.494 1.00 71.32 H new ATOM 0 HB2 PRO A 4 10.846 7.421 -9.539 1.00 3.22 H new ATOM 0 HB3 PRO A 4 9.967 6.772 -10.909 1.00 3.22 H new ATOM 0 HG2 PRO A 4 11.080 9.544 -10.516 1.00 64.04 H new ATOM 0 HG3 PRO A 4 11.126 8.532 -11.947 1.00 64.04 H new ATOM 0 HD2 PRO A 4 9.311 10.546 -11.682 1.00 53.12 H new ATOM 0 HD3 PRO A 4 8.934 9.085 -12.575 1.00 53.12 H new ATOM 117 N LEU A 5 9.706 7.861 -7.411 1.00 61.05 N ATOM 118 CA LEU A 5 10.009 8.281 -6.048 1.00 14.34 C ATOM 119 C LEU A 5 11.501 8.555 -5.883 1.00 22.14 C ATOM 120 O LEU A 5 11.912 9.294 -4.989 1.00 12.12 O ATOM 121 CB LEU A 5 9.563 7.211 -5.051 1.00 61.34 C ATOM 122 CG LEU A 5 9.681 5.762 -5.524 1.00 41.02 C ATOM 123 CD1 LEU A 5 11.141 5.376 -5.701 1.00 60.32 C ATOM 124 CD2 LEU A 5 8.994 4.823 -4.543 1.00 64.31 C ATOM 0 H LEU A 5 10.063 6.938 -7.657 1.00 61.05 H new ATOM 0 HA LEU A 5 9.463 9.203 -5.849 1.00 14.34 H new ATOM 0 HB2 LEU A 5 10.151 7.324 -4.140 1.00 61.34 H new ATOM 0 HB3 LEU A 5 8.523 7.402 -4.785 1.00 61.34 H new ATOM 0 HG LEU A 5 9.183 5.673 -6.490 1.00 41.02 H new ATOM 0 HD11 LEU A 5 11.206 4.341 -6.038 1.00 60.32 H new ATOM 0 HD12 LEU A 5 11.603 6.029 -6.442 1.00 60.32 H new ATOM 0 HD13 LEU A 5 11.663 5.481 -4.750 1.00 60.32 H new ATOM 0 HD21 LEU A 5 9.088 3.796 -4.896 1.00 64.31 H new ATOM 0 HD22 LEU A 5 9.462 4.914 -3.563 1.00 64.31 H new ATOM 0 HD23 LEU A 5 7.939 5.085 -4.467 1.00 64.31 H new ATOM 135 N GLY A 6 12.308 7.954 -6.753 1.00 33.12 N ATOM 136 CA GLY A 6 13.745 8.148 -6.687 1.00 43.03 C ATOM 137 C GLY A 6 14.440 7.771 -7.981 1.00 25.22 C ATOM 138 O GLY A 6 15.467 7.091 -7.967 1.00 42.35 O ATOM 0 H GLY A 6 11.992 7.337 -7.501 1.00 33.12 H new ATOM 0 HA2 GLY A 6 13.958 9.191 -6.454 1.00 43.03 H new ATOM 0 HA3 GLY A 6 14.152 7.550 -5.872 1.00 43.03 H new ATOM 142 N LEU A 7 13.879 8.212 -9.102 1.00 61.12 N ATOM 143 CA LEU A 7 14.451 7.916 -10.411 1.00 30.01 C ATOM 144 C LEU A 7 14.601 9.187 -11.240 1.00 1.30 C ATOM 145 O LEU A 7 15.011 9.141 -12.399 1.00 5.14 O ATOM 146 CB LEU A 7 13.573 6.908 -11.157 1.00 34.35 C ATOM 147 CG LEU A 7 12.984 5.778 -10.313 1.00 71.41 C ATOM 148 CD1 LEU A 7 12.065 4.906 -11.154 1.00 4.35 C ATOM 149 CD2 LEU A 7 14.093 4.943 -9.690 1.00 0.23 C ATOM 0 H LEU A 7 13.029 8.775 -9.131 1.00 61.12 H new ATOM 0 HA LEU A 7 15.440 7.485 -10.258 1.00 30.01 H new ATOM 0 HB2 LEU A 7 12.752 7.449 -11.627 1.00 34.35 H new ATOM 0 HB3 LEU A 7 14.164 6.466 -11.959 1.00 34.35 H new ATOM 0 HG LEU A 7 12.395 6.220 -9.509 1.00 71.41 H new ATOM 0 HD11 LEU A 7 11.655 4.107 -10.536 1.00 4.35 H new ATOM 0 HD12 LEU A 7 11.250 5.512 -11.550 1.00 4.35 H new ATOM 0 HD13 LEU A 7 12.630 4.473 -11.980 1.00 4.35 H new ATOM 0 HD21 LEU A 7 13.655 4.143 -9.093 1.00 0.23 H new ATOM 0 HD22 LEU A 7 14.710 4.511 -10.478 1.00 0.23 H new ATOM 0 HD23 LEU A 7 14.710 5.576 -9.052 1.00 0.23 H new ATOM 160 N LYS A 8 14.269 10.323 -10.636 1.00 61.32 N ATOM 161 CA LYS A 8 14.370 11.610 -11.316 1.00 64.31 C ATOM 162 C LYS A 8 15.355 12.528 -10.599 1.00 31.30 C ATOM 163 O LYS A 8 16.470 12.744 -11.070 1.00 13.25 O ATOM 164 CB LYS A 8 12.996 12.278 -11.393 1.00 33.41 C ATOM 165 CG LYS A 8 12.067 11.645 -12.415 1.00 14.32 C ATOM 166 CD LYS A 8 12.107 12.389 -13.740 1.00 24.32 C ATOM 167 CE LYS A 8 13.406 12.128 -14.487 1.00 31.25 C ATOM 168 NZ LYS A 8 13.379 12.697 -15.862 1.00 71.14 N ATOM 0 H LYS A 8 13.927 10.379 -9.677 1.00 61.32 H new ATOM 0 HA LYS A 8 14.737 11.432 -12.327 1.00 64.31 H new ATOM 0 HB2 LYS A 8 12.525 12.235 -10.411 1.00 33.41 H new ATOM 0 HB3 LYS A 8 13.127 13.332 -11.638 1.00 33.41 H new ATOM 0 HG2 LYS A 8 12.352 10.605 -12.572 1.00 14.32 H new ATOM 0 HG3 LYS A 8 11.048 11.642 -12.029 1.00 14.32 H new ATOM 0 HD2 LYS A 8 11.263 12.081 -14.357 1.00 24.32 H new ATOM 0 HD3 LYS A 8 11.997 13.459 -13.561 1.00 24.32 H new ATOM 0 HE2 LYS A 8 14.238 12.561 -13.931 1.00 31.25 H new ATOM 0 HE3 LYS A 8 13.584 11.054 -14.542 1.00 31.25 H new ATOM 0 HZ1 LYS A 8 14.282 12.498 -16.338 1.00 71.14 H new ATOM 0 HZ2 LYS A 8 12.601 12.266 -16.401 1.00 71.14 H new ATOM 0 HZ3 LYS A 8 13.235 13.726 -15.809 1.00 71.14 H new ATOM 178 N ASN A 9 14.934 13.064 -9.458 1.00 23.04 N ATOM 179 CA ASN A 9 15.780 13.958 -8.676 1.00 31.43 C ATOM 180 C ASN A 9 16.039 13.384 -7.285 1.00 2.45 C ATOM 181 O ASN A 9 17.127 13.538 -6.733 1.00 21.42 O ATOM 182 CB ASN A 9 15.128 15.336 -8.557 1.00 55.00 C ATOM 183 CG ASN A 9 15.624 16.303 -9.615 1.00 30.13 C ATOM 184 OD1 ASN A 9 16.627 16.991 -9.422 1.00 40.31 O ATOM 185 ND2 ASN A 9 14.922 16.360 -10.741 1.00 20.23 N ATOM 0 H ASN A 9 14.013 12.895 -9.055 1.00 23.04 H new ATOM 0 HA ASN A 9 16.735 14.058 -9.192 1.00 31.43 H new ATOM 0 HB2 ASN A 9 14.046 15.232 -8.642 1.00 55.00 H new ATOM 0 HB3 ASN A 9 15.332 15.747 -7.568 1.00 55.00 H new ATOM 0 HD21 ASN A 9 15.208 16.992 -11.489 1.00 20.23 H new ATOM 0 HD22 ASN A 9 14.097 15.772 -10.858 1.00 20.23 H new ATOM 191 N ASN A 10 15.031 12.722 -6.727 1.00 14.11 N ATOM 192 CA ASN A 10 15.149 12.125 -5.402 1.00 1.01 C ATOM 193 C ASN A 10 16.280 11.102 -5.365 1.00 63.14 C ATOM 194 O ASN A 10 17.088 11.085 -4.436 1.00 74.50 O ATOM 195 CB ASN A 10 13.831 11.460 -5.000 1.00 71.51 C ATOM 196 CG ASN A 10 12.839 12.449 -4.417 1.00 4.32 C ATOM 197 OD1 ASN A 10 12.275 12.221 -3.347 1.00 60.00 O ATOM 198 ND2 ASN A 10 12.623 13.554 -5.121 1.00 62.54 N ATOM 0 H ASN A 10 14.123 12.585 -7.172 1.00 14.11 H new ATOM 0 HA ASN A 10 15.378 12.920 -4.692 1.00 1.01 H new ATOM 0 HB2 ASN A 10 13.389 10.978 -5.872 1.00 71.51 H new ATOM 0 HB3 ASN A 10 14.031 10.676 -4.269 1.00 71.51 H new ATOM 0 HD21 ASN A 10 11.967 14.256 -4.780 1.00 62.54 H new ATOM 0 HD22 ASN A 10 13.113 13.701 -6.003 1.00 62.54 H new ATOM 204 N THR A 11 16.332 10.248 -6.383 1.00 43.42 N ATOM 205 CA THR A 11 17.363 9.222 -6.468 1.00 64.45 C ATOM 206 C THR A 11 17.466 8.437 -5.164 1.00 53.03 C ATOM 207 O THR A 11 18.556 8.040 -4.754 1.00 22.34 O ATOM 208 CB THR A 11 18.738 9.832 -6.797 1.00 20.00 C ATOM 209 OG1 THR A 11 19.277 10.478 -5.639 1.00 72.33 O ATOM 210 CG2 THR A 11 18.626 10.832 -7.938 1.00 15.34 C ATOM 0 H THR A 11 15.671 10.247 -7.160 1.00 43.42 H new ATOM 0 HA THR A 11 17.072 8.548 -7.273 1.00 64.45 H new ATOM 0 HB THR A 11 19.405 9.027 -7.105 1.00 20.00 H new ATOM 0 HG1 THR A 11 18.561 10.635 -4.989 1.00 72.33 H new ATOM 0 HG21 THR A 11 19.609 11.250 -8.153 1.00 15.34 H new ATOM 0 HG22 THR A 11 18.243 10.329 -8.826 1.00 15.34 H new ATOM 0 HG23 THR A 11 17.945 11.634 -7.653 1.00 15.34 H new ATOM 218 N ILE A 12 16.325 8.219 -4.518 1.00 51.34 N ATOM 219 CA ILE A 12 16.289 7.481 -3.262 1.00 42.22 C ATOM 220 C ILE A 12 16.867 6.081 -3.430 1.00 4.33 C ATOM 221 O ILE A 12 16.504 5.337 -4.343 1.00 75.34 O ATOM 222 CB ILE A 12 14.853 7.369 -2.717 1.00 45.14 C ATOM 223 CG1 ILE A 12 14.355 8.736 -2.244 1.00 31.31 C ATOM 224 CG2 ILE A 12 14.794 6.356 -1.583 1.00 43.15 C ATOM 225 CD1 ILE A 12 12.850 8.880 -2.286 1.00 11.12 C ATOM 0 H ILE A 12 15.414 8.543 -4.844 1.00 51.34 H new ATOM 0 HA ILE A 12 16.897 8.039 -2.550 1.00 42.22 H new ATOM 0 HB ILE A 12 14.202 7.024 -3.520 1.00 45.14 H new ATOM 0 HG12 ILE A 12 14.700 8.906 -1.224 1.00 31.31 H new ATOM 0 HG13 ILE A 12 14.803 9.511 -2.865 1.00 31.31 H new ATOM 0 HG21 ILE A 12 13.773 6.288 -1.208 1.00 43.15 H new ATOM 0 HG22 ILE A 12 15.111 5.380 -1.950 1.00 43.15 H new ATOM 0 HG23 ILE A 12 15.456 6.673 -0.777 1.00 43.15 H new ATOM 0 HD11 ILE A 12 12.570 9.874 -1.937 1.00 11.12 H new ATOM 0 HD12 ILE A 12 12.500 8.743 -3.309 1.00 11.12 H new ATOM 0 HD13 ILE A 12 12.394 8.128 -1.642 1.00 11.12 H new ATOM 236 N PRO A 13 17.790 5.709 -2.530 1.00 62.03 N ATOM 237 CA PRO A 13 18.437 4.394 -2.556 1.00 72.54 C ATOM 238 C PRO A 13 17.478 3.268 -2.184 1.00 52.15 C ATOM 239 O PRO A 13 16.262 3.459 -2.157 1.00 41.32 O ATOM 240 CB PRO A 13 19.543 4.523 -1.506 1.00 22.14 C ATOM 241 CG PRO A 13 19.061 5.581 -0.574 1.00 43.44 C ATOM 242 CD PRO A 13 18.270 6.544 -1.417 1.00 13.23 C ATOM 0 HA PRO A 13 18.802 4.139 -3.551 1.00 72.54 H new ATOM 0 HB2 PRO A 13 19.705 3.580 -0.984 1.00 22.14 H new ATOM 0 HB3 PRO A 13 20.492 4.801 -1.964 1.00 22.14 H new ATOM 0 HG2 PRO A 13 18.443 5.154 0.215 1.00 43.44 H new ATOM 0 HG3 PRO A 13 19.897 6.083 -0.087 1.00 43.44 H new ATOM 0 HD2 PRO A 13 17.443 6.982 -0.858 1.00 13.23 H new ATOM 0 HD3 PRO A 13 18.888 7.369 -1.771 1.00 13.23 H new ATOM 247 N ASP A 14 18.032 2.096 -1.896 1.00 14.22 N ATOM 248 CA ASP A 14 17.226 0.939 -1.523 1.00 14.50 C ATOM 249 C ASP A 14 16.555 1.158 -0.170 1.00 43.11 C ATOM 250 O ASP A 14 15.672 0.398 0.225 1.00 23.55 O ATOM 251 CB ASP A 14 18.092 -0.320 -1.479 1.00 13.33 C ATOM 252 CG ASP A 14 19.402 -0.097 -0.748 1.00 53.15 C ATOM 253 OD1 ASP A 14 20.389 0.296 -1.405 1.00 24.40 O ATOM 254 OD2 ASP A 14 19.439 -0.313 0.480 1.00 22.44 O ATOM 0 H ASP A 14 19.037 1.921 -1.914 1.00 14.22 H new ATOM 0 HA ASP A 14 16.450 0.810 -2.277 1.00 14.50 H new ATOM 0 HB2 ASP A 14 17.538 -1.121 -0.990 1.00 13.33 H new ATOM 0 HB3 ASP A 14 18.299 -0.651 -2.497 1.00 13.33 H new ATOM 258 N SER A 15 16.982 2.201 0.534 1.00 72.33 N ATOM 259 CA SER A 15 16.426 2.517 1.845 1.00 43.33 C ATOM 260 C SER A 15 15.081 3.226 1.707 1.00 71.51 C ATOM 261 O SER A 15 14.877 4.304 2.264 1.00 35.52 O ATOM 262 CB SER A 15 17.397 3.393 2.637 1.00 1.44 C ATOM 263 OG SER A 15 16.861 3.734 3.903 1.00 40.30 O ATOM 0 H SER A 15 17.711 2.841 0.219 1.00 72.33 H new ATOM 0 HA SER A 15 16.272 1.581 2.382 1.00 43.33 H new ATOM 0 HB2 SER A 15 18.342 2.866 2.769 1.00 1.44 H new ATOM 0 HB3 SER A 15 17.614 4.301 2.074 1.00 1.44 H new ATOM 0 HG SER A 15 16.040 4.255 3.781 1.00 40.30 H new ATOM 268 N GLN A 16 14.168 2.611 0.962 1.00 20.15 N ATOM 269 CA GLN A 16 12.844 3.182 0.751 1.00 33.22 C ATOM 270 C GLN A 16 11.756 2.228 1.231 1.00 22.35 C ATOM 271 O GLN A 16 10.853 2.621 1.969 1.00 42.41 O ATOM 272 CB GLN A 16 12.635 3.509 -0.728 1.00 11.31 C ATOM 273 CG GLN A 16 13.031 2.376 -1.663 1.00 61.23 C ATOM 274 CD GLN A 16 12.998 2.785 -3.122 1.00 42.31 C ATOM 275 OE1 GLN A 16 13.498 3.848 -3.492 1.00 60.43 O ATOM 276 NE2 GLN A 16 12.408 1.941 -3.960 1.00 1.53 N ATOM 0 H GLN A 16 14.321 1.717 0.495 1.00 20.15 H new ATOM 0 HA GLN A 16 12.777 4.102 1.332 1.00 33.22 H new ATOM 0 HB2 GLN A 16 11.586 3.755 -0.893 1.00 11.31 H new ATOM 0 HB3 GLN A 16 13.214 4.397 -0.981 1.00 11.31 H new ATOM 0 HG2 GLN A 16 14.034 2.034 -1.408 1.00 61.23 H new ATOM 0 HG3 GLN A 16 12.358 1.532 -1.511 1.00 61.23 H new ATOM 0 HE21 GLN A 16 12.007 1.071 -3.610 1.00 1.53 H new ATOM 0 HE22 GLN A 16 12.356 2.162 -4.954 1.00 1.53 H new ATOM 283 N MET A 17 11.849 0.972 0.808 1.00 3.05 N ATOM 284 CA MET A 17 10.873 -0.040 1.196 1.00 2.00 C ATOM 285 C MET A 17 11.331 -0.788 2.444 1.00 1.34 C ATOM 286 O MET A 17 12.517 -0.791 2.777 1.00 44.24 O ATOM 287 CB MET A 17 10.647 -1.028 0.050 1.00 42.12 C ATOM 288 CG MET A 17 9.247 -0.964 -0.540 1.00 21.41 C ATOM 289 SD MET A 17 9.056 -2.017 -1.991 1.00 1.23 S ATOM 290 CE MET A 17 9.625 -0.916 -3.285 1.00 14.22 C ATOM 0 H MET A 17 12.590 0.630 0.196 1.00 3.05 H new ATOM 0 HA MET A 17 9.934 0.466 1.421 1.00 2.00 H new ATOM 0 HB2 MET A 17 11.374 -0.831 -0.738 1.00 42.12 H new ATOM 0 HB3 MET A 17 10.835 -2.039 0.411 1.00 42.12 H new ATOM 0 HG2 MET A 17 8.523 -1.262 0.218 1.00 21.41 H new ATOM 0 HG3 MET A 17 9.018 0.067 -0.811 1.00 21.41 H new ATOM 0 HE1 MET A 17 8.783 -0.630 -3.916 1.00 14.22 H new ATOM 0 HE2 MET A 17 10.062 -0.023 -2.837 1.00 14.22 H new ATOM 0 HE3 MET A 17 10.376 -1.423 -3.890 1.00 14.22 H new ATOM 298 N SER A 18 10.385 -1.421 3.131 1.00 53.33 N ATOM 299 CA SER A 18 10.692 -2.168 4.344 1.00 35.22 C ATOM 300 C SER A 18 9.429 -2.787 4.935 1.00 54.13 C ATOM 301 O SER A 18 8.471 -2.083 5.256 1.00 34.22 O ATOM 302 CB SER A 18 11.357 -1.255 5.377 1.00 42.20 C ATOM 303 OG SER A 18 11.020 0.102 5.150 1.00 43.22 O ATOM 0 H SER A 18 9.400 -1.431 2.868 1.00 53.33 H new ATOM 0 HA SER A 18 11.381 -2.971 4.082 1.00 35.22 H new ATOM 0 HB2 SER A 18 11.045 -1.548 6.380 1.00 42.20 H new ATOM 0 HB3 SER A 18 12.439 -1.377 5.331 1.00 42.20 H new ATOM 0 HG SER A 18 10.835 0.541 6.006 1.00 43.22 H new ATOM 308 N ALA A 19 9.435 -4.108 5.076 1.00 45.45 N ATOM 309 CA ALA A 19 8.291 -4.822 5.629 1.00 23.31 C ATOM 310 C ALA A 19 8.641 -5.466 6.966 1.00 34.55 C ATOM 311 O ALA A 19 9.809 -5.527 7.350 1.00 34.13 O ATOM 312 CB ALA A 19 7.801 -5.875 4.647 1.00 64.34 C ATOM 0 H ALA A 19 10.219 -4.706 4.815 1.00 45.45 H new ATOM 0 HA ALA A 19 7.492 -4.101 5.800 1.00 23.31 H new ATOM 0 HB1 ALA A 19 6.946 -6.400 5.073 1.00 64.34 H new ATOM 0 HB2 ALA A 19 7.503 -5.393 3.716 1.00 64.34 H new ATOM 0 HB3 ALA A 19 8.602 -6.587 4.447 1.00 64.34 H new ATOM 318 N SER A 20 7.621 -5.945 7.673 1.00 2.32 N ATOM 319 CA SER A 20 7.821 -6.581 8.970 1.00 54.31 C ATOM 320 C SER A 20 8.879 -7.677 8.880 1.00 73.05 C ATOM 321 O SER A 20 9.691 -7.846 9.790 1.00 11.03 O ATOM 322 CB SER A 20 6.505 -7.167 9.482 1.00 33.21 C ATOM 323 OG SER A 20 6.398 -7.031 10.889 1.00 11.44 O ATOM 0 H SER A 20 6.648 -5.904 7.369 1.00 2.32 H new ATOM 0 HA SER A 20 8.169 -5.821 9.670 1.00 54.31 H new ATOM 0 HB2 SER A 20 5.667 -6.663 9.000 1.00 33.21 H new ATOM 0 HB3 SER A 20 6.442 -8.221 9.210 1.00 33.21 H new ATOM 0 HG SER A 20 5.997 -6.163 11.104 1.00 11.44 H new ATOM 328 N SER A 21 8.862 -8.418 7.778 1.00 52.22 N ATOM 329 CA SER A 21 9.816 -9.501 7.569 1.00 14.25 C ATOM 330 C SER A 21 9.607 -10.156 6.208 1.00 52.11 C ATOM 331 O SER A 21 8.488 -10.526 5.851 1.00 3.40 O ATOM 332 CB SER A 21 9.683 -10.547 8.677 1.00 73.30 C ATOM 333 OG SER A 21 8.325 -10.892 8.892 1.00 25.03 O ATOM 0 H SER A 21 8.198 -8.289 7.015 1.00 52.22 H new ATOM 0 HA SER A 21 10.820 -9.077 7.597 1.00 14.25 H new ATOM 0 HB2 SER A 21 10.250 -11.439 8.410 1.00 73.30 H new ATOM 0 HB3 SER A 21 10.114 -10.160 9.600 1.00 73.30 H new ATOM 0 HG SER A 21 7.747 -10.256 8.421 1.00 25.03 H new ATOM 338 N SER A 22 10.691 -10.296 5.452 1.00 0.55 N ATOM 339 CA SER A 22 10.626 -10.903 4.128 1.00 10.43 C ATOM 340 C SER A 22 10.955 -12.391 4.195 1.00 32.33 C ATOM 341 O SER A 22 11.452 -12.883 5.209 1.00 4.10 O ATOM 342 CB SER A 22 11.594 -10.199 3.173 1.00 71.23 C ATOM 343 OG SER A 22 12.937 -10.552 3.456 1.00 25.32 O ATOM 0 H SER A 22 11.625 -9.997 5.734 1.00 0.55 H new ATOM 0 HA SER A 22 9.609 -10.790 3.754 1.00 10.43 H new ATOM 0 HB2 SER A 22 11.354 -10.466 2.144 1.00 71.23 H new ATOM 0 HB3 SER A 22 11.473 -9.119 3.258 1.00 71.23 H new ATOM 0 HG SER A 22 13.535 -10.091 2.831 1.00 25.32 H new ATOM 348 N TYR A 23 10.673 -13.102 3.110 1.00 30.42 N ATOM 349 CA TYR A 23 10.935 -14.536 3.046 1.00 40.54 C ATOM 350 C TYR A 23 12.352 -14.852 3.513 1.00 51.42 C ATOM 351 O TYR A 23 13.250 -14.014 3.424 1.00 73.33 O ATOM 352 CB TYR A 23 10.729 -15.049 1.621 1.00 44.42 C ATOM 353 CG TYR A 23 11.761 -14.542 0.638 1.00 73.10 C ATOM 354 CD1 TYR A 23 11.710 -13.238 0.160 1.00 12.24 C ATOM 355 CD2 TYR A 23 12.786 -15.365 0.190 1.00 44.11 C ATOM 356 CE1 TYR A 23 12.651 -12.770 -0.737 1.00 43.44 C ATOM 357 CE2 TYR A 23 13.731 -14.904 -0.707 1.00 24.13 C ATOM 358 CZ TYR A 23 13.659 -13.606 -1.167 1.00 12.24 C ATOM 359 OH TYR A 23 14.598 -13.145 -2.061 1.00 13.03 O ATOM 0 H TYR A 23 10.263 -12.710 2.262 1.00 30.42 H new ATOM 0 HA TYR A 23 10.233 -15.039 3.711 1.00 40.54 H new ATOM 0 HB2 TYR A 23 10.753 -16.139 1.629 1.00 44.42 H new ATOM 0 HB3 TYR A 23 9.737 -14.754 1.278 1.00 44.42 H new ATOM 0 HD1 TYR A 23 10.922 -12.580 0.495 1.00 12.24 H new ATOM 0 HD2 TYR A 23 12.846 -16.382 0.548 1.00 44.11 H new ATOM 0 HE1 TYR A 23 12.597 -11.754 -1.099 1.00 43.44 H new ATOM 0 HE2 TYR A 23 14.522 -15.557 -1.046 1.00 24.13 H new ATOM 0 HH TYR A 23 15.239 -13.859 -2.260 1.00 13.03 H new ATOM 534 N TYR A 34 15.811 -4.614 3.233 1.00 62.04 N ATOM 535 CA TYR A 34 15.621 -6.020 2.899 1.00 30.42 C ATOM 536 C TYR A 34 14.872 -6.171 1.578 1.00 74.11 C ATOM 537 O TYR A 34 15.376 -6.739 0.610 1.00 14.14 O ATOM 538 CB TYR A 34 14.857 -6.733 4.016 1.00 11.10 C ATOM 539 CG TYR A 34 15.652 -7.828 4.690 1.00 22.21 C ATOM 540 CD1 TYR A 34 16.330 -8.783 3.943 1.00 31.14 C ATOM 541 CD2 TYR A 34 15.726 -7.908 6.076 1.00 63.04 C ATOM 542 CE1 TYR A 34 17.056 -9.785 4.555 1.00 3.44 C ATOM 543 CE2 TYR A 34 16.451 -8.907 6.697 1.00 54.30 C ATOM 544 CZ TYR A 34 17.114 -9.842 5.932 1.00 24.34 C ATOM 545 OH TYR A 34 17.839 -10.840 6.545 1.00 73.43 O ATOM 0 HA TYR A 34 16.605 -6.477 2.792 1.00 30.42 H new ATOM 0 HB2 TYR A 34 14.557 -6.000 4.765 1.00 11.10 H new ATOM 0 HB3 TYR A 34 13.943 -7.160 3.604 1.00 11.10 H new ATOM 0 HD1 TYR A 34 16.288 -8.741 2.865 1.00 31.14 H new ATOM 0 HD2 TYR A 34 15.208 -7.176 6.678 1.00 63.04 H new ATOM 0 HE1 TYR A 34 17.576 -10.520 3.959 1.00 3.44 H new ATOM 0 HE2 TYR A 34 16.498 -8.955 7.775 1.00 54.30 H new ATOM 0 HH TYR A 34 17.779 -10.738 7.518 1.00 73.43 H new ATOM 554 N PRO A 35 13.637 -5.648 1.538 1.00 0.22 N ATOM 555 CA PRO A 35 12.791 -5.710 0.342 1.00 54.02 C ATOM 556 C PRO A 35 13.311 -4.821 -0.783 1.00 75.23 C ATOM 557 O PRO A 35 14.166 -5.231 -1.567 1.00 0.22 O ATOM 558 CB PRO A 35 11.435 -5.203 0.841 1.00 5.23 C ATOM 559 CG PRO A 35 11.760 -4.342 2.012 1.00 54.33 C ATOM 560 CD PRO A 35 12.973 -4.956 2.654 1.00 31.32 C ATOM 0 HA PRO A 35 12.757 -6.714 -0.082 1.00 54.02 H new ATOM 0 HB2 PRO A 35 10.914 -4.639 0.067 1.00 5.23 H new ATOM 0 HB3 PRO A 35 10.784 -6.029 1.126 1.00 5.23 H new ATOM 0 HG2 PRO A 35 11.961 -3.317 1.699 1.00 54.33 H new ATOM 0 HG3 PRO A 35 10.925 -4.304 2.712 1.00 54.33 H new ATOM 0 HD2 PRO A 35 13.619 -4.199 3.098 1.00 31.32 H new ATOM 0 HD3 PRO A 35 12.699 -5.648 3.450 1.00 31.32 H new ATOM 565 N HIS A 36 12.789 -3.600 -0.855 1.00 30.21 N ATOM 566 CA HIS A 36 13.202 -2.651 -1.884 1.00 24.15 C ATOM 567 C HIS A 36 13.413 -3.357 -3.220 1.00 21.34 C ATOM 568 O HIS A 36 14.396 -3.107 -3.918 1.00 71.32 O ATOM 569 CB HIS A 36 14.487 -1.938 -1.463 1.00 63.14 C ATOM 570 CG HIS A 36 15.647 -2.863 -1.259 1.00 73.02 C ATOM 571 ND1 HIS A 36 15.896 -3.504 -0.064 1.00 12.14 N ATOM 572 CD2 HIS A 36 16.628 -3.253 -2.107 1.00 61.42 C ATOM 573 CE1 HIS A 36 16.981 -4.249 -0.185 1.00 3.30 C ATOM 574 NE2 HIS A 36 17.444 -4.115 -1.415 1.00 60.12 N ATOM 0 H HIS A 36 12.080 -3.245 -0.214 1.00 30.21 H new ATOM 0 HA HIS A 36 12.408 -1.914 -2.004 1.00 24.15 H new ATOM 0 HB2 HIS A 36 14.750 -1.202 -2.223 1.00 63.14 H new ATOM 0 HB3 HIS A 36 14.303 -1.391 -0.539 1.00 63.14 H new ATOM 0 HD2 HIS A 36 16.747 -2.944 -3.135 1.00 61.42 H new ATOM 0 HE1 HIS A 36 17.415 -4.863 0.590 1.00 3.30 H new ATOM 0 HE2 HIS A 36 18.273 -4.577 -1.790 1.00 60.12 H new ATOM 581 N LEU A 37 12.485 -4.242 -3.569 1.00 55.21 N ATOM 582 CA LEU A 37 12.569 -4.985 -4.822 1.00 53.22 C ATOM 583 C LEU A 37 11.755 -4.302 -5.916 1.00 13.40 C ATOM 584 O LEU A 37 12.062 -4.426 -7.101 1.00 63.41 O ATOM 585 CB LEU A 37 12.073 -6.418 -4.621 1.00 23.25 C ATOM 586 CG LEU A 37 13.052 -7.378 -3.943 1.00 11.54 C ATOM 587 CD1 LEU A 37 14.486 -6.917 -4.155 1.00 32.11 C ATOM 588 CD2 LEU A 37 12.742 -7.495 -2.458 1.00 71.10 C ATOM 0 H LEU A 37 11.666 -4.462 -3.002 1.00 55.21 H new ATOM 0 HA LEU A 37 13.613 -5.008 -5.133 1.00 53.22 H new ATOM 0 HB2 LEU A 37 11.159 -6.385 -4.029 1.00 23.25 H new ATOM 0 HB3 LEU A 37 11.807 -6.829 -5.595 1.00 23.25 H new ATOM 0 HG LEU A 37 12.938 -8.363 -4.397 1.00 11.54 H new ATOM 0 HD11 LEU A 37 15.168 -7.612 -3.665 1.00 32.11 H new ATOM 0 HD12 LEU A 37 14.704 -6.886 -5.223 1.00 32.11 H new ATOM 0 HD13 LEU A 37 14.615 -5.922 -3.729 1.00 32.11 H new ATOM 0 HD21 LEU A 37 13.448 -8.182 -1.992 1.00 71.10 H new ATOM 0 HD22 LEU A 37 12.827 -6.514 -1.990 1.00 71.10 H new ATOM 0 HD23 LEU A 37 11.728 -7.873 -2.327 1.00 71.10 H new ATOM 599 N GLY A 38 10.717 -3.578 -5.509 1.00 53.31 N ATOM 600 CA GLY A 38 9.876 -2.884 -6.468 1.00 32.22 C ATOM 601 C GLY A 38 10.630 -1.814 -7.232 1.00 44.23 C ATOM 602 O GLY A 38 10.130 -1.282 -8.225 1.00 23.34 O ATOM 0 H GLY A 38 10.443 -3.459 -4.534 1.00 53.31 H new ATOM 0 HA2 GLY A 38 9.462 -3.605 -7.172 1.00 32.22 H new ATOM 0 HA3 GLY A 38 9.034 -2.429 -5.946 1.00 32.22 H new ATOM 606 N ARG A 39 11.836 -1.497 -6.771 1.00 65.11 N ATOM 607 CA ARG A 39 12.659 -0.483 -7.418 1.00 72.04 C ATOM 608 C ARG A 39 12.648 -0.658 -8.934 1.00 63.15 C ATOM 609 O ARG A 39 12.463 -1.767 -9.439 1.00 51.42 O ATOM 610 CB ARG A 39 14.095 -0.551 -6.895 1.00 45.34 C ATOM 611 CG ARG A 39 14.805 -1.850 -7.238 1.00 1.53 C ATOM 612 CD ARG A 39 16.294 -1.629 -7.459 1.00 72.10 C ATOM 613 NE ARG A 39 16.598 -1.295 -8.847 1.00 3.50 N ATOM 614 CZ ARG A 39 17.714 -0.683 -9.229 1.00 20.02 C ATOM 615 NH1 ARG A 39 18.626 -0.342 -8.330 1.00 14.50 N ATOM 616 NH2 ARG A 39 17.918 -0.412 -10.511 1.00 40.20 N ATOM 0 H ARG A 39 12.264 -1.928 -5.952 1.00 65.11 H new ATOM 0 HA ARG A 39 12.240 0.495 -7.181 1.00 72.04 H new ATOM 0 HB2 ARG A 39 14.663 0.284 -7.306 1.00 45.34 H new ATOM 0 HB3 ARG A 39 14.085 -0.427 -5.812 1.00 45.34 H new ATOM 0 HG2 ARG A 39 14.658 -2.570 -6.433 1.00 1.53 H new ATOM 0 HG3 ARG A 39 14.363 -2.282 -8.136 1.00 1.53 H new ATOM 0 HD2 ARG A 39 16.642 -0.826 -6.809 1.00 72.10 H new ATOM 0 HD3 ARG A 39 16.840 -2.529 -7.175 1.00 72.10 H new ATOM 0 HE ARG A 39 15.916 -1.545 -9.563 1.00 3.50 H new ATOM 0 HH11 ARG A 39 18.472 -0.549 -7.343 1.00 14.50 H new ATOM 0 HH12 ARG A 39 19.482 0.128 -8.625 1.00 14.50 H new ATOM 0 HH21 ARG A 39 17.218 -0.673 -11.205 1.00 40.20 H new ATOM 0 HH22 ARG A 39 18.775 0.058 -10.803 1.00 40.20 H new ATOM 627 N LEU A 40 12.846 0.441 -9.653 1.00 3.34 N ATOM 628 CA LEU A 40 12.861 0.409 -11.111 1.00 64.54 C ATOM 629 C LEU A 40 14.125 -0.268 -11.630 1.00 25.22 C ATOM 630 O LEU A 40 15.158 -0.270 -10.961 1.00 14.42 O ATOM 631 CB LEU A 40 12.760 1.827 -11.674 1.00 75.24 C ATOM 632 CG LEU A 40 12.570 1.939 -13.187 1.00 22.31 C ATOM 633 CD1 LEU A 40 11.358 2.798 -13.511 1.00 73.20 C ATOM 634 CD2 LEU A 40 13.820 2.508 -13.841 1.00 63.31 C ATOM 0 H LEU A 40 12.998 1.366 -9.250 1.00 3.34 H new ATOM 0 HA LEU A 40 11.999 -0.170 -11.444 1.00 64.54 H new ATOM 0 HB2 LEU A 40 11.926 2.331 -11.185 1.00 75.24 H new ATOM 0 HB3 LEU A 40 13.665 2.370 -11.401 1.00 75.24 H new ATOM 0 HG LEU A 40 12.398 0.940 -13.587 1.00 22.31 H new ATOM 0 HD11 LEU A 40 11.239 2.866 -14.592 1.00 73.20 H new ATOM 0 HD12 LEU A 40 10.466 2.348 -13.075 1.00 73.20 H new ATOM 0 HD13 LEU A 40 11.499 3.797 -13.098 1.00 73.20 H new ATOM 0 HD21 LEU A 40 13.666 2.581 -14.918 1.00 63.31 H new ATOM 0 HD22 LEU A 40 14.024 3.499 -13.436 1.00 63.31 H new ATOM 0 HD23 LEU A 40 14.667 1.852 -13.639 1.00 63.31 H new ATOM 645 N ASP A 41 14.036 -0.841 -12.825 1.00 51.43 N ATOM 646 CA ASP A 41 15.174 -1.517 -13.435 1.00 1.31 C ATOM 647 C ASP A 41 15.747 -2.573 -12.495 1.00 33.45 C ATOM 648 O ASP A 41 16.906 -2.493 -12.089 1.00 2.24 O ATOM 649 CB ASP A 41 16.258 -0.505 -13.807 1.00 14.14 C ATOM 650 CG ASP A 41 17.450 -1.153 -14.483 1.00 23.34 C ATOM 651 OD1 ASP A 41 17.260 -1.784 -15.544 1.00 1.04 O ATOM 652 OD2 ASP A 41 18.573 -1.029 -13.952 1.00 22.53 O ATOM 0 H ASP A 41 13.187 -0.851 -13.390 1.00 51.43 H new ATOM 0 HA ASP A 41 14.826 -2.013 -14.341 1.00 1.31 H new ATOM 0 HB2 ASP A 41 15.834 0.249 -14.470 1.00 14.14 H new ATOM 0 HB3 ASP A 41 16.592 0.012 -12.907 1.00 14.14 H new ATOM 656 N ASN A 42 14.926 -3.560 -12.150 1.00 50.10 N ATOM 657 CA ASN A 42 15.351 -4.630 -11.256 1.00 64.41 C ATOM 658 C ASN A 42 16.633 -5.284 -11.760 1.00 24.05 C ATOM 659 O ASN A 42 16.709 -5.720 -12.909 1.00 73.53 O ATOM 660 CB ASN A 42 14.247 -5.681 -11.123 1.00 43.31 C ATOM 661 CG ASN A 42 14.063 -6.490 -12.393 1.00 1.23 C ATOM 662 OD1 ASN A 42 14.622 -7.578 -12.535 1.00 71.41 O ATOM 663 ND2 ASN A 42 13.279 -5.960 -13.324 1.00 72.22 N ATOM 0 H ASN A 42 13.963 -3.640 -12.476 1.00 50.10 H new ATOM 0 HA ASN A 42 15.548 -4.194 -10.277 1.00 64.41 H new ATOM 0 HB2 ASN A 42 14.486 -6.353 -10.299 1.00 43.31 H new ATOM 0 HB3 ASN A 42 13.308 -5.188 -10.870 1.00 43.31 H new ATOM 0 HD21 ASN A 42 13.120 -6.457 -14.200 1.00 72.22 H new ATOM 0 HD22 ASN A 42 12.836 -5.055 -13.163 1.00 72.22 H new ATOM 669 N GLN A 43 17.639 -5.350 -10.893 1.00 42.33 N ATOM 670 CA GLN A 43 18.918 -5.950 -11.252 1.00 63.21 C ATOM 671 C GLN A 43 18.816 -7.472 -11.277 1.00 21.24 C ATOM 672 O GLN A 43 19.527 -8.140 -12.027 1.00 73.20 O ATOM 673 CB GLN A 43 20.004 -5.516 -10.266 1.00 51.22 C ATOM 674 CG GLN A 43 19.670 -5.830 -8.816 1.00 3.44 C ATOM 675 CD GLN A 43 20.055 -4.707 -7.873 1.00 63.22 C ATOM 676 OE1 GLN A 43 21.191 -4.234 -7.883 1.00 15.34 O ATOM 677 NE2 GLN A 43 19.107 -4.274 -7.050 1.00 64.24 N ATOM 0 H GLN A 43 17.593 -4.995 -9.938 1.00 42.33 H new ATOM 0 HA GLN A 43 19.186 -5.605 -12.251 1.00 63.21 H new ATOM 0 HB2 GLN A 43 20.940 -6.008 -10.529 1.00 51.22 H new ATOM 0 HB3 GLN A 43 20.168 -4.443 -10.368 1.00 51.22 H new ATOM 0 HG2 GLN A 43 18.601 -6.024 -8.727 1.00 3.44 H new ATOM 0 HG3 GLN A 43 20.186 -6.743 -8.518 1.00 3.44 H new ATOM 0 HE21 GLN A 43 18.178 -4.695 -7.075 1.00 64.24 H new ATOM 0 HE22 GLN A 43 19.308 -3.521 -6.392 1.00 64.24 H new ATOM 684 N GLY A 44 17.928 -8.015 -10.450 1.00 74.21 N ATOM 685 CA GLY A 44 17.750 -9.455 -10.392 1.00 54.14 C ATOM 686 C GLY A 44 16.631 -9.937 -11.294 1.00 73.44 C ATOM 687 O GLY A 44 16.846 -10.201 -12.476 1.00 61.34 O ATOM 0 H GLY A 44 17.328 -7.484 -9.819 1.00 74.21 H new ATOM 0 HA2 GLY A 44 18.680 -9.945 -10.679 1.00 54.14 H new ATOM 0 HA3 GLY A 44 17.538 -9.751 -9.365 1.00 54.14 H new ATOM 691 N LYS A 45 15.431 -10.054 -10.733 1.00 54.15 N ATOM 692 CA LYS A 45 14.273 -10.508 -11.493 1.00 43.12 C ATOM 693 C LYS A 45 13.020 -10.519 -10.621 1.00 11.23 C ATOM 694 O LYS A 45 11.910 -10.318 -11.113 1.00 71.11 O ATOM 695 CB LYS A 45 14.524 -11.907 -12.059 1.00 32.45 C ATOM 696 CG LYS A 45 14.744 -12.965 -10.991 1.00 53.31 C ATOM 697 CD LYS A 45 16.121 -12.843 -10.360 1.00 62.32 C ATOM 698 CE LYS A 45 16.659 -14.199 -9.930 1.00 52.11 C ATOM 699 NZ LYS A 45 16.058 -14.651 -8.644 1.00 35.35 N ATOM 0 H LYS A 45 15.236 -9.841 -9.755 1.00 54.15 H new ATOM 0 HA LYS A 45 14.116 -9.812 -12.317 1.00 43.12 H new ATOM 0 HB2 LYS A 45 13.674 -12.198 -12.677 1.00 32.45 H new ATOM 0 HB3 LYS A 45 15.396 -11.875 -12.712 1.00 32.45 H new ATOM 0 HG2 LYS A 45 13.980 -12.869 -10.220 1.00 53.31 H new ATOM 0 HG3 LYS A 45 14.631 -13.956 -11.431 1.00 53.31 H new ATOM 0 HD2 LYS A 45 16.809 -12.386 -11.071 1.00 62.32 H new ATOM 0 HD3 LYS A 45 16.069 -12.180 -9.496 1.00 62.32 H new ATOM 0 HE2 LYS A 45 16.451 -14.935 -10.707 1.00 52.11 H new ATOM 0 HE3 LYS A 45 17.742 -14.143 -9.825 1.00 52.11 H new ATOM 0 HZ1 LYS A 45 16.450 -15.579 -8.385 1.00 35.35 H new ATOM 0 HZ2 LYS A 45 16.277 -13.961 -7.897 1.00 35.35 H new ATOM 0 HZ3 LYS A 45 15.026 -14.729 -8.751 1.00 35.35 H new ATOM 709 N ILE A 46 13.208 -10.753 -9.327 1.00 3.44 N ATOM 710 CA ILE A 46 12.094 -10.787 -8.388 1.00 31.14 C ATOM 711 C ILE A 46 11.178 -9.582 -8.577 1.00 1.42 C ATOM 712 O ILE A 46 9.991 -9.731 -8.864 1.00 34.02 O ATOM 713 CB ILE A 46 12.588 -10.818 -6.929 1.00 41.23 C ATOM 714 CG1 ILE A 46 13.638 -11.915 -6.747 1.00 4.11 C ATOM 715 CG2 ILE A 46 11.419 -11.032 -5.979 1.00 52.43 C ATOM 716 CD1 ILE A 46 15.047 -11.385 -6.605 1.00 13.33 C ATOM 0 H ILE A 46 14.121 -10.922 -8.905 1.00 3.44 H new ATOM 0 HA ILE A 46 11.536 -11.700 -8.594 1.00 31.14 H new ATOM 0 HB ILE A 46 13.049 -9.858 -6.696 1.00 41.23 H new ATOM 0 HG12 ILE A 46 13.389 -12.502 -5.863 1.00 4.11 H new ATOM 0 HG13 ILE A 46 13.597 -12.591 -7.601 1.00 4.11 H new ATOM 0 HG21 ILE A 46 11.784 -11.052 -4.952 1.00 52.43 H new ATOM 0 HG22 ILE A 46 10.703 -10.218 -6.094 1.00 52.43 H new ATOM 0 HG23 ILE A 46 10.932 -11.980 -6.209 1.00 52.43 H new ATOM 0 HD11 ILE A 46 15.738 -12.218 -6.479 1.00 13.33 H new ATOM 0 HD12 ILE A 46 15.316 -10.822 -7.499 1.00 13.33 H new ATOM 0 HD13 ILE A 46 15.104 -10.732 -5.734 1.00 13.33 H new ATOM 727 N ASN A 47 11.740 -8.389 -8.418 1.00 55.24 N ATOM 728 CA ASN A 47 10.974 -7.157 -8.573 1.00 10.22 C ATOM 729 C ASN A 47 9.714 -7.188 -7.714 1.00 62.13 C ATOM 730 O ASN A 47 8.667 -6.674 -8.109 1.00 13.45 O ATOM 731 CB ASN A 47 10.600 -6.945 -10.041 1.00 23.51 C ATOM 732 CG ASN A 47 10.004 -5.574 -10.294 1.00 11.52 C ATOM 733 OD1 ASN A 47 10.424 -4.583 -9.697 1.00 72.43 O ATOM 734 ND2 ASN A 47 9.021 -5.512 -11.185 1.00 70.21 N ATOM 0 H ASN A 47 12.722 -8.248 -8.182 1.00 55.24 H new ATOM 0 HA ASN A 47 11.598 -6.327 -8.241 1.00 10.22 H new ATOM 0 HB2 ASN A 47 11.487 -7.072 -10.661 1.00 23.51 H new ATOM 0 HB3 ASN A 47 9.886 -7.710 -10.345 1.00 23.51 H new ATOM 0 HD21 ASN A 47 8.582 -4.616 -11.399 1.00 70.21 H new ATOM 0 HD22 ASN A 47 8.705 -6.360 -11.656 1.00 70.21 H new ATOM 740 N ALA A 48 9.821 -7.795 -6.537 1.00 23.32 N ATOM 741 CA ALA A 48 8.692 -7.893 -5.621 1.00 50.33 C ATOM 742 C ALA A 48 9.106 -8.544 -4.306 1.00 60.25 C ATOM 743 O ALA A 48 9.609 -9.667 -4.290 1.00 71.45 O ATOM 744 CB ALA A 48 7.555 -8.673 -6.264 1.00 3.52 C ATOM 0 H ALA A 48 10.680 -8.227 -6.195 1.00 23.32 H new ATOM 0 HA ALA A 48 8.346 -6.883 -5.402 1.00 50.33 H new ATOM 0 HB1 ALA A 48 6.719 -8.738 -5.568 1.00 3.52 H new ATOM 0 HB2 ALA A 48 7.232 -8.164 -7.172 1.00 3.52 H new ATOM 0 HB3 ALA A 48 7.898 -9.677 -6.513 1.00 3.52 H new ATOM 750 N TRP A 49 8.890 -7.831 -3.206 1.00 22.42 N ATOM 751 CA TRP A 49 9.242 -8.342 -1.884 1.00 42.53 C ATOM 752 C TRP A 49 8.242 -9.396 -1.424 1.00 64.53 C ATOM 753 O TRP A 49 7.033 -9.237 -1.594 1.00 41.11 O ATOM 754 CB TRP A 49 9.297 -7.197 -0.872 1.00 60.13 C ATOM 755 CG TRP A 49 8.609 -7.514 0.422 1.00 53.34 C ATOM 756 CD1 TRP A 49 9.189 -7.978 1.567 1.00 13.33 C ATOM 757 CD2 TRP A 49 7.210 -7.391 0.700 1.00 25.50 C ATOM 758 NE1 TRP A 49 8.237 -8.152 2.541 1.00 44.35 N ATOM 759 CE2 TRP A 49 7.013 -7.799 2.034 1.00 54.20 C ATOM 760 CE3 TRP A 49 6.104 -6.977 -0.047 1.00 62.34 C ATOM 761 CZ2 TRP A 49 5.757 -7.802 2.634 1.00 24.01 C ATOM 762 CZ3 TRP A 49 4.857 -6.982 0.550 1.00 42.11 C ATOM 763 CH2 TRP A 49 4.692 -7.392 1.879 1.00 12.05 C ATOM 0 H TRP A 49 8.474 -6.900 -3.202 1.00 22.42 H new ATOM 0 HA TRP A 49 10.226 -8.807 -1.951 1.00 42.53 H new ATOM 0 HB2 TRP A 49 10.339 -6.950 -0.670 1.00 60.13 H new ATOM 0 HB3 TRP A 49 8.839 -6.311 -1.311 1.00 60.13 H new ATOM 0 HD1 TRP A 49 10.243 -8.179 1.689 1.00 13.33 H new ATOM 0 HE1 TRP A 49 8.412 -8.489 3.488 1.00 44.35 H new ATOM 0 HE3 TRP A 49 6.221 -6.659 -1.072 1.00 62.34 H new ATOM 0 HZ2 TRP A 49 5.628 -8.117 3.659 1.00 24.01 H new ATOM 0 HZ3 TRP A 49 3.995 -6.664 -0.018 1.00 42.11 H new ATOM 0 HH2 TRP A 49 3.705 -7.384 2.317 1.00 12.05 H new ATOM 773 N THR A 50 8.753 -10.476 -0.840 1.00 53.33 N ATOM 774 CA THR A 50 7.904 -11.557 -0.355 1.00 2.51 C ATOM 775 C THR A 50 7.743 -11.493 1.159 1.00 51.32 C ATOM 776 O THR A 50 8.457 -10.756 1.839 1.00 43.44 O ATOM 777 CB THR A 50 8.475 -12.934 -0.742 1.00 5.32 C ATOM 778 OG1 THR A 50 9.265 -12.822 -1.931 1.00 50.54 O ATOM 779 CG2 THR A 50 7.356 -13.941 -0.964 1.00 12.31 C ATOM 0 H THR A 50 9.751 -10.625 -0.692 1.00 53.33 H new ATOM 0 HA THR A 50 6.929 -11.430 -0.826 1.00 2.51 H new ATOM 0 HB THR A 50 9.102 -13.285 0.078 1.00 5.32 H new ATOM 0 HG1 THR A 50 10.216 -12.873 -1.698 1.00 50.54 H new ATOM 0 HG21 THR A 50 7.784 -14.906 -1.236 1.00 12.31 H new ATOM 0 HG22 THR A 50 6.775 -14.047 -0.048 1.00 12.31 H new ATOM 0 HG23 THR A 50 6.707 -13.592 -1.767 1.00 12.31 H new ATOM 787 N ALA A 51 6.801 -12.270 1.682 1.00 4.03 N ATOM 788 CA ALA A 51 6.547 -12.304 3.117 1.00 4.23 C ATOM 789 C ALA A 51 7.473 -13.295 3.814 1.00 35.04 C ATOM 790 O ALA A 51 8.087 -14.145 3.169 1.00 33.31 O ATOM 791 CB ALA A 51 5.093 -12.658 3.388 1.00 53.20 C ATOM 0 H ALA A 51 6.200 -12.885 1.133 1.00 4.03 H new ATOM 0 HA ALA A 51 6.749 -11.312 3.520 1.00 4.23 H new ATOM 0 HB1 ALA A 51 4.918 -12.680 4.464 1.00 53.20 H new ATOM 0 HB2 ALA A 51 4.445 -11.911 2.930 1.00 53.20 H new ATOM 0 HB3 ALA A 51 4.872 -13.638 2.965 1.00 53.20 H new ATOM 797 N GLN A 52 7.570 -13.178 5.136 1.00 44.40 N ATOM 798 CA GLN A 52 8.423 -14.064 5.919 1.00 34.23 C ATOM 799 C GLN A 52 7.650 -15.295 6.382 1.00 14.22 C ATOM 800 O GLN A 52 8.133 -16.421 6.268 1.00 24.21 O ATOM 801 CB GLN A 52 8.991 -13.320 7.129 1.00 52.52 C ATOM 802 CG GLN A 52 9.680 -14.229 8.134 1.00 43.21 C ATOM 803 CD GLN A 52 11.084 -13.767 8.473 1.00 41.30 C ATOM 804 OE1 GLN A 52 11.309 -13.131 9.502 1.00 71.42 O ATOM 805 NE2 GLN A 52 12.037 -14.084 7.605 1.00 3.45 N ATOM 0 H GLN A 52 7.069 -12.480 5.685 1.00 44.40 H new ATOM 0 HA GLN A 52 9.245 -14.392 5.283 1.00 34.23 H new ATOM 0 HB2 GLN A 52 9.702 -12.570 6.783 1.00 52.52 H new ATOM 0 HB3 GLN A 52 8.183 -12.786 7.629 1.00 52.52 H new ATOM 0 HG2 GLN A 52 9.085 -14.272 9.047 1.00 43.21 H new ATOM 0 HG3 GLN A 52 9.722 -15.242 7.733 1.00 43.21 H new ATOM 0 HE21 GLN A 52 11.806 -14.613 6.764 1.00 3.45 H new ATOM 0 HE22 GLN A 52 13.001 -13.799 7.779 1.00 3.45 H new ATOM 812 N SER A 53 6.449 -15.072 6.905 1.00 61.24 N ATOM 813 CA SER A 53 5.611 -16.163 7.389 1.00 31.22 C ATOM 814 C SER A 53 4.490 -16.467 6.399 1.00 12.02 C ATOM 815 O SER A 53 3.532 -17.165 6.726 1.00 64.01 O ATOM 816 CB SER A 53 5.018 -15.811 8.756 1.00 3.54 C ATOM 817 OG SER A 53 6.038 -15.486 9.684 1.00 23.53 O ATOM 0 H SER A 53 6.034 -14.146 7.005 1.00 61.24 H new ATOM 0 HA SER A 53 6.235 -17.051 7.489 1.00 31.22 H new ATOM 0 HB2 SER A 53 4.333 -14.969 8.653 1.00 3.54 H new ATOM 0 HB3 SER A 53 4.435 -16.652 9.131 1.00 3.54 H new ATOM 0 HG SER A 53 5.635 -15.263 10.549 1.00 23.53 H new ATOM 822 N ASN A 54 4.620 -15.937 5.187 1.00 21.12 N ATOM 823 CA ASN A 54 3.618 -16.151 4.149 1.00 42.41 C ATOM 824 C ASN A 54 2.209 -16.063 4.726 1.00 50.25 C ATOM 825 O ASN A 54 1.342 -16.874 4.400 1.00 21.02 O ATOM 826 CB ASN A 54 3.826 -17.513 3.484 1.00 74.51 C ATOM 827 CG ASN A 54 3.617 -18.665 4.449 1.00 52.12 C ATOM 828 OD1 ASN A 54 4.692 -19.092 5.100 1.00 44.11 O flip ATOM 829 ND2 ASN A 54 2.502 -19.163 4.607 1.00 32.23 N flip ATOM 0 H ASN A 54 5.408 -15.357 4.900 1.00 21.12 H new ATOM 0 HA ASN A 54 3.733 -15.367 3.400 1.00 42.41 H new ATOM 0 HB2 ASN A 54 3.136 -17.615 2.646 1.00 74.51 H new ATOM 0 HB3 ASN A 54 4.835 -17.564 3.074 1.00 74.51 H new ATOM 0 HD21 ASN A 54 1.704 -18.802 4.085 1.00 32.23 H new ATOM 0 HD22 ASN A 54 2.377 -19.936 5.260 1.00 32.23 H new ATOM 835 N SER A 55 1.987 -15.073 5.584 1.00 33.33 N ATOM 836 CA SER A 55 0.684 -14.880 6.211 1.00 2.21 C ATOM 837 C SER A 55 0.204 -13.443 6.033 1.00 65.23 C ATOM 838 O SER A 55 0.830 -12.650 5.331 1.00 21.52 O ATOM 839 CB SER A 55 0.753 -15.227 7.699 1.00 23.42 C ATOM 840 OG SER A 55 -0.226 -16.192 8.044 1.00 40.30 O ATOM 0 H SER A 55 2.693 -14.391 5.861 1.00 33.33 H new ATOM 0 HA SER A 55 -0.028 -15.546 5.724 1.00 2.21 H new ATOM 0 HB2 SER A 55 1.745 -15.608 7.941 1.00 23.42 H new ATOM 0 HB3 SER A 55 0.604 -14.325 8.293 1.00 23.42 H new ATOM 0 HG SER A 55 -0.160 -16.398 9.000 1.00 40.30 H new ATOM 845 N ALA A 56 -0.914 -13.117 6.674 1.00 71.51 N ATOM 846 CA ALA A 56 -1.479 -11.776 6.589 1.00 70.51 C ATOM 847 C ALA A 56 -0.935 -10.880 7.698 1.00 4.51 C ATOM 848 O ALA A 56 -1.007 -9.654 7.611 1.00 10.23 O ATOM 849 CB ALA A 56 -2.998 -11.838 6.656 1.00 51.22 C ATOM 0 H ALA A 56 -1.446 -13.763 7.257 1.00 71.51 H new ATOM 0 HA ALA A 56 -1.186 -11.345 5.632 1.00 70.51 H new ATOM 0 HB1 ALA A 56 -3.407 -10.830 6.591 1.00 51.22 H new ATOM 0 HB2 ALA A 56 -3.375 -12.436 5.826 1.00 51.22 H new ATOM 0 HB3 ALA A 56 -3.302 -12.293 7.599 1.00 51.22 H new ATOM 855 N LYS A 57 -0.391 -11.500 8.739 1.00 74.42 N ATOM 856 CA LYS A 57 0.166 -10.759 9.865 1.00 32.02 C ATOM 857 C LYS A 57 1.264 -9.808 9.400 1.00 33.01 C ATOM 858 O LYS A 57 1.536 -8.797 10.048 1.00 33.13 O ATOM 859 CB LYS A 57 0.724 -11.726 10.912 1.00 30.22 C ATOM 860 CG LYS A 57 1.891 -12.559 10.410 1.00 53.11 C ATOM 861 CD LYS A 57 1.878 -13.955 11.009 1.00 22.55 C ATOM 862 CE LYS A 57 2.189 -13.926 12.498 1.00 2.11 C ATOM 863 NZ LYS A 57 3.396 -14.733 12.828 1.00 15.10 N ATOM 0 H LYS A 57 -0.324 -12.514 8.827 1.00 74.42 H new ATOM 0 HA LYS A 57 -0.635 -10.170 10.313 1.00 32.02 H new ATOM 0 HB2 LYS A 57 1.043 -11.158 11.786 1.00 30.22 H new ATOM 0 HB3 LYS A 57 -0.073 -12.393 11.240 1.00 30.22 H new ATOM 0 HG2 LYS A 57 1.849 -12.628 9.323 1.00 53.11 H new ATOM 0 HG3 LYS A 57 2.828 -12.063 10.662 1.00 53.11 H new ATOM 0 HD2 LYS A 57 0.901 -14.412 10.849 1.00 22.55 H new ATOM 0 HD3 LYS A 57 2.609 -14.579 10.496 1.00 22.55 H new ATOM 0 HE2 LYS A 57 2.343 -12.895 12.817 1.00 2.11 H new ATOM 0 HE3 LYS A 57 1.333 -14.308 13.055 1.00 2.11 H new ATOM 0 HZ1 LYS A 57 3.575 -14.688 13.852 1.00 15.10 H new ATOM 0 HZ2 LYS A 57 3.240 -15.722 12.547 1.00 15.10 H new ATOM 0 HZ3 LYS A 57 4.218 -14.353 12.316 1.00 15.10 H new ATOM 873 N GLU A 58 1.890 -10.138 8.275 1.00 52.54 N ATOM 874 CA GLU A 58 2.957 -9.310 7.724 1.00 71.43 C ATOM 875 C GLU A 58 2.403 -7.993 7.189 1.00 10.34 C ATOM 876 O GLU A 58 1.192 -7.831 7.041 1.00 10.45 O ATOM 877 CB GLU A 58 3.689 -10.059 6.610 1.00 4.22 C ATOM 878 CG GLU A 58 4.277 -11.388 7.053 1.00 13.34 C ATOM 879 CD GLU A 58 5.661 -11.241 7.657 1.00 75.03 C ATOM 880 OE1 GLU A 58 6.355 -10.259 7.320 1.00 34.50 O ATOM 881 OE2 GLU A 58 6.048 -12.108 8.469 1.00 41.14 O ATOM 0 H GLU A 58 1.677 -10.972 7.728 1.00 52.54 H new ATOM 0 HA GLU A 58 3.661 -9.088 8.526 1.00 71.43 H new ATOM 0 HB2 GLU A 58 2.997 -10.234 5.786 1.00 4.22 H new ATOM 0 HB3 GLU A 58 4.490 -9.428 6.225 1.00 4.22 H new ATOM 0 HG2 GLU A 58 3.613 -11.849 7.784 1.00 13.34 H new ATOM 0 HG3 GLU A 58 4.327 -12.062 6.198 1.00 13.34 H new ATOM 886 N TRP A 59 3.300 -7.055 6.902 1.00 70.34 N ATOM 887 CA TRP A 59 2.901 -5.751 6.384 1.00 41.15 C ATOM 888 C TRP A 59 4.060 -5.078 5.656 1.00 64.24 C ATOM 889 O TRP A 59 5.223 -5.255 6.021 1.00 63.33 O ATOM 890 CB TRP A 59 2.409 -4.856 7.523 1.00 43.23 C ATOM 891 CG TRP A 59 3.338 -4.825 8.698 1.00 51.24 C ATOM 892 CD1 TRP A 59 4.602 -4.309 8.730 1.00 3.12 C ATOM 893 CD2 TRP A 59 3.076 -5.331 10.011 1.00 22.22 C ATOM 894 NE1 TRP A 59 5.142 -4.465 9.984 1.00 62.24 N ATOM 895 CE2 TRP A 59 4.225 -5.089 10.789 1.00 12.43 C ATOM 896 CE3 TRP A 59 1.981 -5.964 10.607 1.00 41.41 C ATOM 897 CZ2 TRP A 59 4.309 -5.458 12.128 1.00 2.35 C ATOM 898 CZ3 TRP A 59 2.066 -6.331 11.936 1.00 34.10 C ATOM 899 CH2 TRP A 59 3.223 -6.077 12.686 1.00 51.52 C ATOM 0 H TRP A 59 4.306 -7.173 7.019 1.00 70.34 H new ATOM 0 HA TRP A 59 2.088 -5.902 5.674 1.00 41.15 H new ATOM 0 HB2 TRP A 59 2.277 -3.842 7.147 1.00 43.23 H new ATOM 0 HB3 TRP A 59 1.430 -5.204 7.852 1.00 43.23 H new ATOM 0 HD1 TRP A 59 5.104 -3.846 7.893 1.00 3.12 H new ATOM 0 HE1 TRP A 59 6.074 -4.165 10.269 1.00 62.24 H new ATOM 0 HE3 TRP A 59 1.085 -6.163 10.038 1.00 41.41 H new ATOM 0 HZ2 TRP A 59 5.200 -5.263 12.707 1.00 2.35 H new ATOM 0 HZ3 TRP A 59 1.227 -6.822 12.406 1.00 34.10 H new ATOM 0 HH2 TRP A 59 3.258 -6.375 13.723 1.00 51.52 H new ATOM 909 N LEU A 60 3.735 -4.304 4.626 1.00 11.22 N ATOM 910 CA LEU A 60 4.749 -3.604 3.846 1.00 54.40 C ATOM 911 C LEU A 60 4.729 -2.108 4.145 1.00 21.21 C ATOM 912 O LEU A 60 3.693 -1.456 4.021 1.00 54.53 O ATOM 913 CB LEU A 60 4.526 -3.840 2.352 1.00 72.12 C ATOM 914 CG LEU A 60 5.735 -3.602 1.446 1.00 31.03 C ATOM 915 CD1 LEU A 60 6.104 -2.127 1.425 1.00 61.04 C ATOM 916 CD2 LEU A 60 6.918 -4.443 1.903 1.00 34.53 C ATOM 0 H LEU A 60 2.778 -4.146 4.312 1.00 11.22 H new ATOM 0 HA LEU A 60 5.725 -3.999 4.127 1.00 54.40 H new ATOM 0 HB2 LEU A 60 4.190 -4.868 2.213 1.00 72.12 H new ATOM 0 HB3 LEU A 60 3.715 -3.192 2.019 1.00 72.12 H new ATOM 0 HG LEU A 60 5.470 -3.904 0.433 1.00 31.03 H new ATOM 0 HD11 LEU A 60 6.966 -1.977 0.775 1.00 61.04 H new ATOM 0 HD12 LEU A 60 5.261 -1.546 1.050 1.00 61.04 H new ATOM 0 HD13 LEU A 60 6.349 -1.799 2.435 1.00 61.04 H new ATOM 0 HD21 LEU A 60 7.769 -4.261 1.247 1.00 34.53 H new ATOM 0 HD22 LEU A 60 7.183 -4.173 2.925 1.00 34.53 H new ATOM 0 HD23 LEU A 60 6.650 -5.499 1.865 1.00 34.53 H new ATOM 927 N GLN A 61 5.880 -1.572 4.537 1.00 51.43 N ATOM 928 CA GLN A 61 5.994 -0.152 4.851 1.00 41.11 C ATOM 929 C GLN A 61 7.042 0.518 3.969 1.00 42.02 C ATOM 930 O GLN A 61 8.079 -0.071 3.662 1.00 74.22 O ATOM 931 CB GLN A 61 6.353 0.038 6.325 1.00 24.50 C ATOM 932 CG GLN A 61 5.662 -0.949 7.252 1.00 32.34 C ATOM 933 CD GLN A 61 6.093 -0.793 8.697 1.00 35.34 C ATOM 934 OE1 GLN A 61 5.385 -0.193 9.507 1.00 24.44 O ATOM 935 NE2 GLN A 61 7.261 -1.333 9.029 1.00 62.14 N ATOM 0 H GLN A 61 6.747 -2.099 4.645 1.00 51.43 H new ATOM 0 HA GLN A 61 5.029 0.316 4.656 1.00 41.11 H new ATOM 0 HB2 GLN A 61 7.432 -0.060 6.443 1.00 24.50 H new ATOM 0 HB3 GLN A 61 6.090 1.052 6.627 1.00 24.50 H new ATOM 0 HG2 GLN A 61 4.583 -0.813 7.182 1.00 32.34 H new ATOM 0 HG3 GLN A 61 5.877 -1.965 6.920 1.00 32.34 H new ATOM 0 HE21 GLN A 61 7.815 -1.821 8.326 1.00 62.14 H new ATOM 0 HE22 GLN A 61 7.603 -1.259 9.987 1.00 62.14 H new ATOM 942 N VAL A 62 6.765 1.754 3.564 1.00 61.24 N ATOM 943 CA VAL A 62 7.684 2.505 2.719 1.00 42.32 C ATOM 944 C VAL A 62 7.984 3.876 3.314 1.00 33.23 C ATOM 945 O VAL A 62 7.083 4.696 3.498 1.00 3.15 O ATOM 946 CB VAL A 62 7.117 2.689 1.297 1.00 31.44 C ATOM 947 CG1 VAL A 62 8.181 3.249 0.367 1.00 44.34 C ATOM 948 CG2 VAL A 62 6.573 1.371 0.767 1.00 74.30 C ATOM 0 H VAL A 62 5.911 2.256 3.808 1.00 61.24 H new ATOM 0 HA VAL A 62 8.606 1.926 2.664 1.00 42.32 H new ATOM 0 HB VAL A 62 6.295 3.404 1.341 1.00 31.44 H new ATOM 0 HG11 VAL A 62 7.763 3.372 -0.632 1.00 44.34 H new ATOM 0 HG12 VAL A 62 8.519 4.216 0.741 1.00 44.34 H new ATOM 0 HG13 VAL A 62 9.026 2.561 0.324 1.00 44.34 H new ATOM 0 HG21 VAL A 62 6.177 1.519 -0.238 1.00 74.30 H new ATOM 0 HG22 VAL A 62 7.374 0.633 0.736 1.00 74.30 H new ATOM 0 HG23 VAL A 62 5.778 1.016 1.422 1.00 74.30 H new ATOM 958 N ASP A 63 9.255 4.118 3.615 1.00 71.50 N ATOM 959 CA ASP A 63 9.676 5.390 4.190 1.00 52.44 C ATOM 960 C ASP A 63 10.347 6.267 3.138 1.00 2.43 C ATOM 961 O ASP A 63 11.312 5.853 2.492 1.00 63.32 O ATOM 962 CB ASP A 63 10.631 5.156 5.361 1.00 21.21 C ATOM 963 CG ASP A 63 10.164 4.039 6.274 1.00 32.50 C ATOM 964 OD1 ASP A 63 10.303 2.859 5.889 1.00 52.30 O ATOM 965 OD2 ASP A 63 9.660 4.346 7.374 1.00 65.55 O ATOM 0 H ASP A 63 10.012 3.450 3.470 1.00 71.50 H new ATOM 0 HA ASP A 63 8.788 5.906 4.555 1.00 52.44 H new ATOM 0 HB2 ASP A 63 11.622 4.916 4.976 1.00 21.21 H new ATOM 0 HB3 ASP A 63 10.727 6.076 5.937 1.00 21.21 H new ATOM 969 N LEU A 64 9.832 7.480 2.967 1.00 33.32 N ATOM 970 CA LEU A 64 10.381 8.414 1.992 1.00 53.42 C ATOM 971 C LEU A 64 11.197 9.504 2.681 1.00 13.33 C ATOM 972 O LEU A 64 12.369 9.706 2.369 1.00 14.35 O ATOM 973 CB LEU A 64 9.256 9.048 1.173 1.00 63.12 C ATOM 974 CG LEU A 64 8.799 8.263 -0.059 1.00 55.10 C ATOM 975 CD1 LEU A 64 8.311 6.879 0.342 1.00 3.41 C ATOM 976 CD2 LEU A 64 7.708 9.022 -0.800 1.00 21.02 C ATOM 0 H LEU A 64 9.034 7.839 3.492 1.00 33.32 H new ATOM 0 HA LEU A 64 11.040 7.858 1.325 1.00 53.42 H new ATOM 0 HB2 LEU A 64 8.396 9.194 1.826 1.00 63.12 H new ATOM 0 HB3 LEU A 64 9.582 10.037 0.849 1.00 63.12 H new ATOM 0 HG LEU A 64 9.651 8.146 -0.729 1.00 55.10 H new ATOM 0 HD11 LEU A 64 7.990 6.335 -0.546 1.00 3.41 H new ATOM 0 HD12 LEU A 64 9.120 6.335 0.828 1.00 3.41 H new ATOM 0 HD13 LEU A 64 7.472 6.975 1.032 1.00 3.41 H new ATOM 0 HD21 LEU A 64 7.395 8.449 -1.673 1.00 21.02 H new ATOM 0 HD22 LEU A 64 6.855 9.171 -0.138 1.00 21.02 H new ATOM 0 HD23 LEU A 64 8.092 9.991 -1.120 1.00 21.02 H new ATOM 987 N GLY A 65 10.569 10.201 3.623 1.00 71.44 N ATOM 988 CA GLY A 65 11.252 11.259 4.343 1.00 12.32 C ATOM 989 C GLY A 65 11.484 12.489 3.487 1.00 44.21 C ATOM 990 O GLY A 65 12.147 13.436 3.911 1.00 63.40 O ATOM 0 H GLY A 65 9.599 10.051 3.900 1.00 71.44 H new ATOM 0 HA2 GLY A 65 10.665 11.535 5.219 1.00 12.32 H new ATOM 0 HA3 GLY A 65 12.210 10.887 4.706 1.00 12.32 H new ATOM 994 N THR A 66 10.938 12.474 2.274 1.00 41.05 N ATOM 995 CA THR A 66 11.090 13.594 1.355 1.00 40.53 C ATOM 996 C THR A 66 9.789 14.376 1.220 1.00 52.44 C ATOM 997 O THR A 66 9.773 15.485 0.684 1.00 41.12 O ATOM 998 CB THR A 66 11.536 13.118 -0.041 1.00 55.24 C ATOM 999 OG1 THR A 66 11.900 14.243 -0.850 1.00 21.11 O ATOM 1000 CG2 THR A 66 10.427 12.334 -0.725 1.00 24.14 C ATOM 0 H THR A 66 10.387 11.698 1.906 1.00 41.05 H new ATOM 0 HA THR A 66 11.859 14.243 1.773 1.00 40.53 H new ATOM 0 HB THR A 66 12.400 12.464 0.082 1.00 55.24 H new ATOM 0 HG1 THR A 66 11.354 15.017 -0.598 1.00 21.11 H new ATOM 0 HG21 THR A 66 10.765 12.008 -1.709 1.00 24.14 H new ATOM 0 HG22 THR A 66 10.172 11.462 -0.122 1.00 24.14 H new ATOM 0 HG23 THR A 66 9.548 12.968 -0.835 1.00 24.14 H new ATOM 1008 N GLN A 67 8.700 13.794 1.710 1.00 65.52 N ATOM 1009 CA GLN A 67 7.393 14.438 1.644 1.00 44.21 C ATOM 1010 C GLN A 67 7.086 14.901 0.224 1.00 54.03 C ATOM 1011 O GLN A 67 7.331 16.054 -0.129 1.00 51.25 O ATOM 1012 CB GLN A 67 7.339 15.628 2.604 1.00 65.31 C ATOM 1013 CG GLN A 67 5.980 16.307 2.654 1.00 53.01 C ATOM 1014 CD GLN A 67 6.064 17.744 3.129 1.00 43.34 C ATOM 1015 OE1 GLN A 67 6.457 18.013 4.264 1.00 72.33 O ATOM 1016 NE2 GLN A 67 5.693 18.677 2.259 1.00 50.12 N ATOM 0 H GLN A 67 8.696 12.877 2.157 1.00 65.52 H new ATOM 0 HA GLN A 67 6.640 13.707 1.939 1.00 44.21 H new ATOM 0 HB2 GLN A 67 7.604 15.289 3.605 1.00 65.31 H new ATOM 0 HB3 GLN A 67 8.091 16.359 2.306 1.00 65.31 H new ATOM 0 HG2 GLN A 67 5.529 16.282 1.662 1.00 53.01 H new ATOM 0 HG3 GLN A 67 5.322 15.746 3.318 1.00 53.01 H new ATOM 0 HE21 GLN A 67 5.374 18.408 1.328 1.00 50.12 H new ATOM 0 HE22 GLN A 67 5.728 19.662 2.522 1.00 50.12 H new ATOM 1023 N ARG A 68 6.549 13.994 -0.586 1.00 53.45 N ATOM 1024 CA ARG A 68 6.210 14.310 -1.968 1.00 41.04 C ATOM 1025 C ARG A 68 4.715 14.127 -2.217 1.00 1.45 C ATOM 1026 O ARG A 68 4.063 13.316 -1.561 1.00 22.32 O ATOM 1027 CB ARG A 68 7.010 13.426 -2.926 1.00 2.41 C ATOM 1028 CG ARG A 68 8.314 14.054 -3.391 1.00 73.31 C ATOM 1029 CD ARG A 68 8.065 15.260 -4.283 1.00 70.22 C ATOM 1030 NE ARG A 68 9.311 15.860 -4.753 1.00 34.42 N ATOM 1031 CZ ARG A 68 10.087 16.629 -3.997 1.00 62.31 C ATOM 1032 NH1 ARG A 68 9.747 16.888 -2.741 1.00 53.33 N ATOM 1033 NH2 ARG A 68 11.206 17.138 -4.495 1.00 14.21 N ATOM 0 H ARG A 68 6.340 13.035 -0.309 1.00 53.45 H new ATOM 0 HA ARG A 68 6.465 15.354 -2.149 1.00 41.04 H new ATOM 0 HB2 ARG A 68 7.228 12.478 -2.435 1.00 2.41 H new ATOM 0 HB3 ARG A 68 6.395 13.200 -3.797 1.00 2.41 H new ATOM 0 HG2 ARG A 68 8.903 14.356 -2.525 1.00 73.31 H new ATOM 0 HG3 ARG A 68 8.902 13.314 -3.934 1.00 73.31 H new ATOM 0 HD2 ARG A 68 7.462 14.959 -5.140 1.00 70.22 H new ATOM 0 HD3 ARG A 68 7.489 16.004 -3.734 1.00 70.22 H new ATOM 0 HE ARG A 68 9.601 15.679 -5.714 1.00 34.42 H new ATOM 0 HH11 ARG A 68 8.888 16.496 -2.354 1.00 53.33 H new ATOM 0 HH12 ARG A 68 10.344 17.479 -2.162 1.00 53.33 H new ATOM 0 HH21 ARG A 68 11.472 16.939 -5.460 1.00 14.21 H new ATOM 0 HH22 ARG A 68 11.801 17.728 -3.913 1.00 14.21 H new ATOM 1044 N GLN A 69 4.182 14.885 -3.169 1.00 4.12 N ATOM 1045 CA GLN A 69 2.765 14.806 -3.504 1.00 74.21 C ATOM 1046 C GLN A 69 2.491 13.637 -4.443 1.00 2.41 C ATOM 1047 O GLN A 69 3.001 13.596 -5.564 1.00 31.21 O ATOM 1048 CB GLN A 69 2.297 16.114 -4.146 1.00 63.31 C ATOM 1049 CG GLN A 69 1.224 15.921 -5.205 1.00 4.44 C ATOM 1050 CD GLN A 69 0.714 17.234 -5.764 1.00 43.33 C ATOM 1051 OE1 GLN A 69 0.630 17.414 -6.979 1.00 5.11 O ATOM 1052 NE2 GLN A 69 0.370 18.161 -4.878 1.00 63.21 N ATOM 0 H GLN A 69 4.709 15.561 -3.722 1.00 4.12 H new ATOM 0 HA GLN A 69 2.208 14.643 -2.581 1.00 74.21 H new ATOM 0 HB2 GLN A 69 1.914 16.774 -3.368 1.00 63.31 H new ATOM 0 HB3 GLN A 69 3.154 16.615 -4.596 1.00 63.31 H new ATOM 0 HG2 GLN A 69 1.626 15.316 -6.018 1.00 4.44 H new ATOM 0 HG3 GLN A 69 0.391 15.365 -4.775 1.00 4.44 H new ATOM 0 HE21 GLN A 69 0.456 17.969 -3.880 1.00 63.21 H new ATOM 0 HE22 GLN A 69 0.020 19.065 -5.195 1.00 63.21 H new ATOM 1059 N VAL A 70 1.683 12.689 -3.982 1.00 24.53 N ATOM 1060 CA VAL A 70 1.342 11.519 -4.781 1.00 43.14 C ATOM 1061 C VAL A 70 0.045 11.740 -5.552 1.00 64.41 C ATOM 1062 O VAL A 70 -0.919 12.294 -5.022 1.00 44.21 O ATOM 1063 CB VAL A 70 1.196 10.262 -3.904 1.00 65.21 C ATOM 1064 CG1 VAL A 70 2.476 10.002 -3.124 1.00 52.51 C ATOM 1065 CG2 VAL A 70 0.009 10.403 -2.964 1.00 23.45 C ATOM 0 H VAL A 70 1.252 12.708 -3.058 1.00 24.53 H new ATOM 0 HA VAL A 70 2.160 11.368 -5.485 1.00 43.14 H new ATOM 0 HB VAL A 70 1.016 9.406 -4.555 1.00 65.21 H new ATOM 0 HG11 VAL A 70 2.353 9.110 -2.510 1.00 52.51 H new ATOM 0 HG12 VAL A 70 3.302 9.853 -3.819 1.00 52.51 H new ATOM 0 HG13 VAL A 70 2.691 10.857 -2.483 1.00 52.51 H new ATOM 0 HG21 VAL A 70 -0.079 9.505 -2.352 1.00 23.45 H new ATOM 0 HG22 VAL A 70 0.157 11.269 -2.319 1.00 23.45 H new ATOM 0 HG23 VAL A 70 -0.903 10.536 -3.547 1.00 23.45 H new ATOM 1075 N THR A 71 0.027 11.302 -6.807 1.00 43.34 N ATOM 1076 CA THR A 71 -1.152 11.453 -7.652 1.00 3.05 C ATOM 1077 C THR A 71 -1.589 10.112 -8.229 1.00 62.33 C ATOM 1078 O THR A 71 -2.463 10.052 -9.092 1.00 64.33 O ATOM 1079 CB THR A 71 -0.891 12.435 -8.810 1.00 42.12 C ATOM 1080 OG1 THR A 71 0.323 13.158 -8.575 1.00 41.24 O ATOM 1081 CG2 THR A 71 -2.048 13.413 -8.961 1.00 4.34 C ATOM 0 H THR A 71 0.815 10.840 -7.261 1.00 43.34 H new ATOM 0 HA THR A 71 -1.946 11.850 -7.019 1.00 3.05 H new ATOM 0 HB THR A 71 -0.799 11.860 -9.731 1.00 42.12 H new ATOM 0 HG1 THR A 71 0.152 13.888 -7.944 1.00 41.24 H new ATOM 0 HG21 THR A 71 -1.842 14.097 -9.785 1.00 4.34 H new ATOM 0 HG22 THR A 71 -2.965 12.862 -9.168 1.00 4.34 H new ATOM 0 HG23 THR A 71 -2.167 13.982 -8.039 1.00 4.34 H new ATOM 1089 N GLY A 72 -0.977 9.035 -7.744 1.00 53.05 N ATOM 1090 CA GLY A 72 -1.318 7.708 -8.223 1.00 55.14 C ATOM 1091 C GLY A 72 -0.431 6.632 -7.629 1.00 71.31 C ATOM 1092 O GLY A 72 0.743 6.872 -7.348 1.00 14.55 O ATOM 0 H GLY A 72 -0.251 9.058 -7.028 1.00 53.05 H new ATOM 0 HA2 GLY A 72 -2.358 7.493 -7.979 1.00 55.14 H new ATOM 0 HA3 GLY A 72 -1.234 7.685 -9.310 1.00 55.14 H new ATOM 1096 N ILE A 73 -0.993 5.444 -7.436 1.00 41.24 N ATOM 1097 CA ILE A 73 -0.245 4.327 -6.872 1.00 54.02 C ATOM 1098 C ILE A 73 -0.341 3.094 -7.764 1.00 70.44 C ATOM 1099 O ILE A 73 -1.343 2.889 -8.450 1.00 5.11 O ATOM 1100 CB ILE A 73 -0.749 3.967 -5.462 1.00 51.42 C ATOM 1101 CG1 ILE A 73 -2.269 3.791 -5.469 1.00 24.01 C ATOM 1102 CG2 ILE A 73 -0.341 5.041 -4.464 1.00 30.31 C ATOM 1103 CD1 ILE A 73 -2.749 2.653 -4.596 1.00 75.12 C ATOM 0 H ILE A 73 -1.964 5.230 -7.662 1.00 41.24 H new ATOM 0 HA ILE A 73 0.796 4.645 -6.807 1.00 54.02 H new ATOM 0 HB ILE A 73 -0.294 3.024 -5.160 1.00 51.42 H new ATOM 0 HG12 ILE A 73 -2.736 4.717 -5.134 1.00 24.01 H new ATOM 0 HG13 ILE A 73 -2.602 3.619 -6.492 1.00 24.01 H new ATOM 0 HG21 ILE A 73 -0.704 4.773 -3.472 1.00 30.31 H new ATOM 0 HG22 ILE A 73 0.746 5.124 -4.442 1.00 30.31 H new ATOM 0 HG23 ILE A 73 -0.772 5.997 -4.762 1.00 30.31 H new ATOM 0 HD11 ILE A 73 -3.836 2.587 -4.649 1.00 75.12 H new ATOM 0 HD12 ILE A 73 -2.311 1.718 -4.944 1.00 75.12 H new ATOM 0 HD13 ILE A 73 -2.447 2.833 -3.564 1.00 75.12 H new ATOM 1114 N ILE A 74 0.706 2.276 -7.748 1.00 71.54 N ATOM 1115 CA ILE A 74 0.738 1.061 -8.553 1.00 74.21 C ATOM 1116 C ILE A 74 1.507 -0.048 -7.843 1.00 63.12 C ATOM 1117 O ILE A 74 2.504 0.206 -7.168 1.00 11.15 O ATOM 1118 CB ILE A 74 1.379 1.316 -9.930 1.00 22.30 C ATOM 1119 CG1 ILE A 74 1.580 -0.006 -10.674 1.00 42.35 C ATOM 1120 CG2 ILE A 74 2.704 2.046 -9.770 1.00 33.10 C ATOM 1121 CD1 ILE A 74 2.935 -0.634 -10.435 1.00 64.51 C ATOM 0 H ILE A 74 1.543 2.432 -7.187 1.00 71.54 H new ATOM 0 HA ILE A 74 -0.296 0.748 -8.695 1.00 74.21 H new ATOM 0 HB ILE A 74 0.709 1.944 -10.517 1.00 22.30 H new ATOM 0 HG12 ILE A 74 0.804 -0.708 -10.367 1.00 42.35 H new ATOM 0 HG13 ILE A 74 1.451 0.165 -11.743 1.00 42.35 H new ATOM 0 HG21 ILE A 74 3.145 2.219 -10.752 1.00 33.10 H new ATOM 0 HG22 ILE A 74 2.535 3.002 -9.274 1.00 33.10 H new ATOM 0 HG23 ILE A 74 3.383 1.441 -9.169 1.00 33.10 H new ATOM 0 HD11 ILE A 74 3.007 -1.567 -10.993 1.00 64.51 H new ATOM 0 HD12 ILE A 74 3.716 0.049 -10.768 1.00 64.51 H new ATOM 0 HD13 ILE A 74 3.059 -0.837 -9.371 1.00 64.51 H new ATOM 1132 N THR A 75 1.036 -1.281 -8.002 1.00 24.42 N ATOM 1133 CA THR A 75 1.678 -2.431 -7.377 1.00 1.43 C ATOM 1134 C THR A 75 1.961 -3.525 -8.400 1.00 22.35 C ATOM 1135 O THR A 75 1.314 -3.592 -9.444 1.00 4.20 O ATOM 1136 CB THR A 75 0.811 -3.013 -6.245 1.00 31.01 C ATOM 1137 OG1 THR A 75 1.421 -4.198 -5.720 1.00 41.33 O ATOM 1138 CG2 THR A 75 -0.588 -3.335 -6.746 1.00 11.05 C ATOM 0 H THR A 75 0.212 -1.509 -8.558 1.00 24.42 H new ATOM 0 HA THR A 75 2.620 -2.078 -6.957 1.00 1.43 H new ATOM 0 HB THR A 75 0.733 -2.265 -5.456 1.00 31.01 H new ATOM 0 HG1 THR A 75 2.381 -4.045 -5.598 1.00 41.33 H new ATOM 0 HG21 THR A 75 -1.182 -3.745 -5.929 1.00 11.05 H new ATOM 0 HG22 THR A 75 -1.060 -2.425 -7.117 1.00 11.05 H new ATOM 0 HG23 THR A 75 -0.527 -4.066 -7.552 1.00 11.05 H new ATOM 1146 N GLN A 76 2.930 -4.382 -8.091 1.00 34.32 N ATOM 1147 CA GLN A 76 3.296 -5.474 -8.984 1.00 14.41 C ATOM 1148 C GLN A 76 3.643 -6.731 -8.194 1.00 11.14 C ATOM 1149 O GLN A 76 4.353 -6.669 -7.190 1.00 61.11 O ATOM 1150 CB GLN A 76 4.481 -5.066 -9.863 1.00 50.30 C ATOM 1151 CG GLN A 76 4.271 -5.356 -11.340 1.00 50.22 C ATOM 1152 CD GLN A 76 5.333 -4.721 -12.216 1.00 4.13 C ATOM 1153 OE1 GLN A 76 5.548 -3.424 -12.040 1.00 22.42 O flip ATOM 1154 NE2 GLN A 76 5.954 -5.391 -13.043 1.00 15.31 N flip ATOM 0 H GLN A 76 3.475 -4.340 -7.230 1.00 34.32 H new ATOM 0 HA GLN A 76 2.438 -5.693 -9.620 1.00 14.41 H new ATOM 0 HB2 GLN A 76 4.669 -4.000 -9.734 1.00 50.30 H new ATOM 0 HB3 GLN A 76 5.373 -5.590 -9.522 1.00 50.30 H new ATOM 0 HG2 GLN A 76 4.272 -6.434 -11.498 1.00 50.22 H new ATOM 0 HG3 GLN A 76 3.290 -4.990 -11.642 1.00 50.22 H new ATOM 0 HE21 GLN A 76 5.756 -6.386 -13.145 1.00 15.31 H new ATOM 0 HE22 GLN A 76 6.666 -4.950 -13.625 1.00 15.31 H new ATOM 1161 N GLY A 77 3.139 -7.872 -8.653 1.00 61.24 N ATOM 1162 CA GLY A 77 3.406 -9.127 -7.976 1.00 65.35 C ATOM 1163 C GLY A 77 4.620 -9.840 -8.537 1.00 32.55 C ATOM 1164 O GLY A 77 5.233 -9.376 -9.497 1.00 1.42 O ATOM 0 H GLY A 77 2.550 -7.950 -9.482 1.00 61.24 H new ATOM 0 HA2 GLY A 77 3.558 -8.938 -6.913 1.00 65.35 H new ATOM 0 HA3 GLY A 77 2.535 -9.776 -8.063 1.00 65.35 H new ATOM 1168 N ALA A 78 4.969 -10.972 -7.934 1.00 12.15 N ATOM 1169 CA ALA A 78 6.119 -11.752 -8.378 1.00 51.15 C ATOM 1170 C ALA A 78 5.729 -13.201 -8.645 1.00 3.35 C ATOM 1171 O ALA A 78 4.839 -13.745 -7.991 1.00 51.20 O ATOM 1172 CB ALA A 78 7.234 -11.684 -7.346 1.00 74.42 C ATOM 0 H ALA A 78 4.472 -11.370 -7.137 1.00 12.15 H new ATOM 0 HA ALA A 78 6.479 -11.322 -9.313 1.00 51.15 H new ATOM 0 HB1 ALA A 78 8.085 -12.271 -7.691 1.00 74.42 H new ATOM 0 HB2 ALA A 78 7.540 -10.647 -7.209 1.00 74.42 H new ATOM 0 HB3 ALA A 78 6.877 -12.086 -6.398 1.00 74.42 H new ATOM 1178 N ARG A 79 6.399 -13.821 -9.611 1.00 1.14 N ATOM 1179 CA ARG A 79 6.121 -15.207 -9.966 1.00 22.23 C ATOM 1180 C ARG A 79 7.391 -16.051 -9.898 1.00 45.51 C ATOM 1181 O ARG A 79 8.493 -15.552 -10.128 1.00 21.23 O ATOM 1182 CB ARG A 79 5.518 -15.286 -11.369 1.00 50.33 C ATOM 1183 CG ARG A 79 6.499 -14.933 -12.474 1.00 64.15 C ATOM 1184 CD ARG A 79 6.639 -16.067 -13.478 1.00 22.32 C ATOM 1185 NE ARG A 79 6.622 -15.585 -14.856 1.00 51.13 N ATOM 1186 CZ ARG A 79 7.628 -14.922 -15.416 1.00 24.43 C ATOM 1187 NH1 ARG A 79 8.726 -14.667 -14.718 1.00 11.43 N ATOM 1188 NH2 ARG A 79 7.537 -14.516 -16.675 1.00 1.45 N ATOM 0 H ARG A 79 7.138 -13.385 -10.162 1.00 1.14 H new ATOM 0 HA ARG A 79 5.403 -15.603 -9.247 1.00 22.23 H new ATOM 0 HB2 ARG A 79 5.142 -16.295 -11.537 1.00 50.33 H new ATOM 0 HB3 ARG A 79 4.662 -14.613 -11.426 1.00 50.33 H new ATOM 0 HG2 ARG A 79 6.163 -14.032 -12.986 1.00 64.15 H new ATOM 0 HG3 ARG A 79 7.473 -14.708 -12.039 1.00 64.15 H new ATOM 0 HD2 ARG A 79 7.571 -16.602 -13.293 1.00 22.32 H new ATOM 0 HD3 ARG A 79 5.828 -16.781 -13.334 1.00 22.32 H new ATOM 0 HE ARG A 79 5.792 -15.767 -15.420 1.00 51.13 H new ATOM 0 HH11 ARG A 79 8.799 -14.980 -13.750 1.00 11.43 H new ATOM 0 HH12 ARG A 79 9.498 -14.158 -15.149 1.00 11.43 H new ATOM 0 HH21 ARG A 79 6.694 -14.713 -17.215 1.00 1.45 H new ATOM 0 HH22 ARG A 79 8.310 -14.007 -17.104 1.00 1.45 H new ATOM 1199 N ASP A 80 7.229 -17.331 -9.582 1.00 41.51 N ATOM 1200 CA ASP A 80 8.361 -18.244 -9.486 1.00 34.42 C ATOM 1201 C ASP A 80 8.314 -19.289 -10.595 1.00 63.24 C ATOM 1202 O ASP A 80 8.636 -20.458 -10.378 1.00 74.42 O ATOM 1203 CB ASP A 80 8.373 -18.933 -8.119 1.00 42.34 C ATOM 1204 CG ASP A 80 8.849 -18.014 -7.011 1.00 41.40 C ATOM 1205 OD1 ASP A 80 9.486 -16.988 -7.326 1.00 1.53 O ATOM 1206 OD2 ASP A 80 8.585 -18.322 -5.831 1.00 60.22 O ATOM 0 H ASP A 80 6.324 -17.760 -9.388 1.00 41.51 H new ATOM 0 HA ASP A 80 9.275 -17.662 -9.600 1.00 34.42 H new ATOM 0 HB2 ASP A 80 7.369 -19.289 -7.886 1.00 42.34 H new ATOM 0 HB3 ASP A 80 9.020 -19.809 -8.163 1.00 42.34 H new ATOM 1210 N PHE A 81 7.908 -18.862 -11.786 1.00 62.10 N ATOM 1211 CA PHE A 81 7.815 -19.761 -12.931 1.00 34.30 C ATOM 1212 C PHE A 81 6.774 -20.849 -12.684 1.00 1.54 C ATOM 1213 O PHE A 81 7.090 -21.919 -12.166 1.00 5.45 O ATOM 1214 CB PHE A 81 9.177 -20.397 -13.219 1.00 30.31 C ATOM 1215 CG PHE A 81 10.304 -19.406 -13.257 1.00 13.13 C ATOM 1216 CD1 PHE A 81 10.585 -18.700 -14.415 1.00 61.23 C ATOM 1217 CD2 PHE A 81 11.085 -19.181 -12.134 1.00 25.35 C ATOM 1218 CE1 PHE A 81 11.622 -17.787 -14.454 1.00 10.30 C ATOM 1219 CE2 PHE A 81 12.124 -18.269 -12.167 1.00 65.53 C ATOM 1220 CZ PHE A 81 12.393 -17.572 -13.328 1.00 20.40 C ATOM 0 H PHE A 81 7.638 -17.898 -11.984 1.00 62.10 H new ATOM 0 HA PHE A 81 7.505 -19.176 -13.797 1.00 34.30 H new ATOM 0 HB2 PHE A 81 9.388 -21.146 -12.456 1.00 30.31 H new ATOM 0 HB3 PHE A 81 9.131 -20.919 -14.175 1.00 30.31 H new ATOM 0 HD1 PHE A 81 9.986 -18.865 -15.299 1.00 61.23 H new ATOM 0 HD2 PHE A 81 10.880 -19.724 -11.223 1.00 25.35 H new ATOM 0 HE1 PHE A 81 11.829 -17.243 -15.363 1.00 10.30 H new ATOM 0 HE2 PHE A 81 12.725 -18.102 -11.285 1.00 65.53 H new ATOM 0 HZ PHE A 81 13.205 -16.860 -13.356 1.00 20.40 H new ATOM 1229 N GLY A 82 5.531 -20.567 -13.059 1.00 63.05 N ATOM 1230 CA GLY A 82 4.461 -21.530 -12.871 1.00 22.13 C ATOM 1231 C GLY A 82 3.715 -21.320 -11.569 1.00 20.13 C ATOM 1232 O GLY A 82 2.487 -21.399 -11.529 1.00 72.30 O ATOM 0 H GLY A 82 5.245 -19.688 -13.490 1.00 63.05 H new ATOM 0 HA2 GLY A 82 3.761 -21.458 -13.703 1.00 22.13 H new ATOM 0 HA3 GLY A 82 4.876 -22.538 -12.890 1.00 22.13 H new ATOM 1236 N HIS A 83 4.457 -21.054 -10.499 1.00 54.34 N ATOM 1237 CA HIS A 83 3.857 -20.833 -9.187 1.00 11.50 C ATOM 1238 C HIS A 83 3.619 -19.345 -8.942 1.00 24.14 C ATOM 1239 O HIS A 83 3.794 -18.855 -7.827 1.00 34.13 O ATOM 1240 CB HIS A 83 4.755 -21.405 -8.090 1.00 71.32 C ATOM 1241 CG HIS A 83 4.000 -22.121 -7.013 1.00 30.42 C ATOM 1242 ND1 HIS A 83 2.988 -23.020 -7.272 1.00 41.00 N ATOM 1243 CD2 HIS A 83 4.117 -22.067 -5.665 1.00 21.34 C ATOM 1244 CE1 HIS A 83 2.513 -23.488 -6.132 1.00 54.02 C ATOM 1245 NE2 HIS A 83 3.181 -22.926 -5.140 1.00 52.42 N ATOM 0 H HIS A 83 5.475 -20.986 -10.514 1.00 54.34 H new ATOM 0 HA HIS A 83 2.895 -21.346 -9.163 1.00 11.50 H new ATOM 0 HB2 HIS A 83 5.471 -22.093 -8.540 1.00 71.32 H new ATOM 0 HB3 HIS A 83 5.330 -20.594 -7.642 1.00 71.32 H new ATOM 0 HD2 HIS A 83 4.816 -21.462 -5.106 1.00 21.34 H new ATOM 0 HE1 HIS A 83 1.714 -24.208 -6.028 1.00 54.02 H new ATOM 0 HE2 HIS A 83 3.027 -23.101 -4.147 1.00 52.42 H new ATOM 1252 N ILE A 84 3.221 -18.635 -9.991 1.00 40.43 N ATOM 1253 CA ILE A 84 2.959 -17.205 -9.889 1.00 40.25 C ATOM 1254 C ILE A 84 2.314 -16.858 -8.552 1.00 73.10 C ATOM 1255 O ILE A 84 1.366 -17.514 -8.120 1.00 41.12 O ATOM 1256 CB ILE A 84 2.045 -16.716 -11.029 1.00 64.32 C ATOM 1257 CG1 ILE A 84 2.684 -17.011 -12.388 1.00 31.43 C ATOM 1258 CG2 ILE A 84 1.762 -15.229 -10.882 1.00 15.02 C ATOM 1259 CD1 ILE A 84 1.891 -17.986 -13.230 1.00 53.41 C ATOM 0 H ILE A 84 3.073 -19.026 -10.921 1.00 40.43 H new ATOM 0 HA ILE A 84 3.923 -16.702 -9.966 1.00 40.25 H new ATOM 0 HB ILE A 84 1.098 -17.253 -10.970 1.00 64.32 H new ATOM 0 HG12 ILE A 84 2.797 -16.077 -12.938 1.00 31.43 H new ATOM 0 HG13 ILE A 84 3.686 -17.411 -12.230 1.00 31.43 H new ATOM 0 HG21 ILE A 84 1.115 -14.900 -11.695 1.00 15.02 H new ATOM 0 HG22 ILE A 84 1.268 -15.045 -9.928 1.00 15.02 H new ATOM 0 HG23 ILE A 84 2.700 -14.675 -10.917 1.00 15.02 H new ATOM 0 HD11 ILE A 84 2.403 -18.148 -14.179 1.00 53.41 H new ATOM 0 HD12 ILE A 84 1.800 -18.934 -12.700 1.00 53.41 H new ATOM 0 HD13 ILE A 84 0.897 -17.579 -13.419 1.00 53.41 H new ATOM 1270 N GLN A 85 2.834 -15.822 -7.901 1.00 42.01 N ATOM 1271 CA GLN A 85 2.308 -15.388 -6.613 1.00 73.33 C ATOM 1272 C GLN A 85 1.879 -13.925 -6.665 1.00 33.12 C ATOM 1273 O GLN A 85 2.409 -13.140 -7.453 1.00 71.34 O ATOM 1274 CB GLN A 85 3.358 -15.585 -5.517 1.00 65.42 C ATOM 1275 CG GLN A 85 4.071 -16.925 -5.593 1.00 40.51 C ATOM 1276 CD GLN A 85 5.220 -17.031 -4.610 1.00 72.22 C ATOM 1277 OE1 GLN A 85 6.148 -16.083 -4.678 1.00 31.02 O flip ATOM 1278 NE2 GLN A 85 5.273 -17.954 -3.797 1.00 65.22 N flip ATOM 0 H GLN A 85 3.619 -15.268 -8.245 1.00 42.01 H new ATOM 0 HA GLN A 85 1.433 -15.996 -6.383 1.00 73.33 H new ATOM 0 HB2 GLN A 85 4.096 -14.786 -5.584 1.00 65.42 H new ATOM 0 HB3 GLN A 85 2.877 -15.493 -4.543 1.00 65.42 H new ATOM 0 HG2 GLN A 85 3.356 -17.724 -5.398 1.00 40.51 H new ATOM 0 HG3 GLN A 85 4.448 -17.075 -6.605 1.00 40.51 H new ATOM 0 HE21 GLN A 85 4.538 -18.661 -3.780 1.00 65.22 H new ATOM 0 HE22 GLN A 85 6.052 -18.012 -3.141 1.00 65.22 H new ATOM 1285 N TYR A 86 0.919 -13.565 -5.822 1.00 20.40 N ATOM 1286 CA TYR A 86 0.417 -12.197 -5.773 1.00 42.24 C ATOM 1287 C TYR A 86 -0.679 -12.055 -4.722 1.00 34.20 C ATOM 1288 O TYR A 86 -1.436 -12.991 -4.467 1.00 45.14 O ATOM 1289 CB TYR A 86 -0.119 -11.779 -7.144 1.00 73.21 C ATOM 1290 CG TYR A 86 -1.051 -12.795 -7.765 1.00 22.33 C ATOM 1291 CD1 TYR A 86 -2.313 -13.027 -7.231 1.00 2.45 C ATOM 1292 CD2 TYR A 86 -0.669 -13.525 -8.885 1.00 35.43 C ATOM 1293 CE1 TYR A 86 -3.168 -13.955 -7.795 1.00 2.24 C ATOM 1294 CE2 TYR A 86 -1.517 -14.454 -9.455 1.00 62.41 C ATOM 1295 CZ TYR A 86 -2.765 -14.666 -8.907 1.00 40.24 C ATOM 1296 OH TYR A 86 -3.612 -15.590 -9.472 1.00 24.51 O ATOM 0 H TYR A 86 0.472 -14.202 -5.162 1.00 20.40 H new ATOM 0 HA TYR A 86 1.245 -11.543 -5.498 1.00 42.24 H new ATOM 0 HB2 TYR A 86 -0.644 -10.829 -7.045 1.00 73.21 H new ATOM 0 HB3 TYR A 86 0.721 -11.610 -7.817 1.00 73.21 H new ATOM 0 HD1 TYR A 86 -2.631 -12.473 -6.360 1.00 2.45 H new ATOM 0 HD2 TYR A 86 0.308 -13.363 -9.317 1.00 35.43 H new ATOM 0 HE1 TYR A 86 -4.146 -14.123 -7.368 1.00 2.24 H new ATOM 0 HE2 TYR A 86 -1.205 -15.012 -10.325 1.00 62.41 H new ATOM 0 HH TYR A 86 -3.177 -16.002 -10.248 1.00 24.51 H new ATOM 1305 N VAL A 87 -0.757 -10.875 -4.113 1.00 25.41 N ATOM 1306 CA VAL A 87 -1.760 -10.609 -3.090 1.00 73.15 C ATOM 1307 C VAL A 87 -3.008 -9.975 -3.695 1.00 41.05 C ATOM 1308 O VAL A 87 -2.955 -9.382 -4.772 1.00 31.12 O ATOM 1309 CB VAL A 87 -1.209 -9.680 -1.991 1.00 43.31 C ATOM 1310 CG1 VAL A 87 -2.158 -9.635 -0.803 1.00 23.35 C ATOM 1311 CG2 VAL A 87 0.178 -10.132 -1.560 1.00 51.10 C ATOM 0 H VAL A 87 -0.137 -10.089 -4.311 1.00 25.41 H new ATOM 0 HA VAL A 87 -2.021 -11.570 -2.647 1.00 73.15 H new ATOM 0 HB VAL A 87 -1.128 -8.672 -2.398 1.00 43.31 H new ATOM 0 HG11 VAL A 87 -1.752 -8.974 -0.038 1.00 23.35 H new ATOM 0 HG12 VAL A 87 -3.129 -9.261 -1.127 1.00 23.35 H new ATOM 0 HG13 VAL A 87 -2.274 -10.638 -0.392 1.00 23.35 H new ATOM 0 HG21 VAL A 87 0.553 -9.465 -0.783 1.00 51.10 H new ATOM 0 HG22 VAL A 87 0.125 -11.149 -1.171 1.00 51.10 H new ATOM 0 HG23 VAL A 87 0.852 -10.106 -2.417 1.00 51.10 H new ATOM 1321 N ALA A 88 -4.131 -10.105 -2.996 1.00 20.14 N ATOM 1322 CA ALA A 88 -5.392 -9.544 -3.463 1.00 45.32 C ATOM 1323 C ALA A 88 -5.896 -8.461 -2.515 1.00 12.14 C ATOM 1324 O ALA A 88 -5.768 -7.269 -2.795 1.00 13.01 O ATOM 1325 CB ALA A 88 -6.434 -10.642 -3.614 1.00 44.41 C ATOM 0 H ALA A 88 -4.193 -10.595 -2.103 1.00 20.14 H new ATOM 0 HA ALA A 88 -5.219 -9.086 -4.437 1.00 45.32 H new ATOM 0 HB1 ALA A 88 -7.371 -10.209 -3.963 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -6.084 -11.379 -4.336 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -6.595 -11.126 -2.651 1.00 44.41 H new ATOM 1331 N SER A 89 -6.469 -8.884 -1.393 1.00 42.11 N ATOM 1332 CA SER A 89 -6.996 -7.949 -0.405 1.00 65.13 C ATOM 1333 C SER A 89 -5.883 -7.429 0.500 1.00 25.22 C ATOM 1334 O SER A 89 -5.158 -8.208 1.121 1.00 72.05 O ATOM 1335 CB SER A 89 -8.081 -8.623 0.437 1.00 14.20 C ATOM 1336 OG SER A 89 -8.970 -9.368 -0.377 1.00 34.01 O ATOM 0 H SER A 89 -6.580 -9.867 -1.145 1.00 42.11 H new ATOM 0 HA SER A 89 -7.432 -7.103 -0.937 1.00 65.13 H new ATOM 0 HB2 SER A 89 -7.618 -9.281 1.172 1.00 14.20 H new ATOM 0 HB3 SER A 89 -8.637 -7.867 0.991 1.00 14.20 H new ATOM 0 HG SER A 89 -9.653 -9.790 0.185 1.00 34.01 H new ATOM 1341 N TYR A 90 -5.753 -6.110 0.569 1.00 40.02 N ATOM 1342 CA TYR A 90 -4.727 -5.485 1.396 1.00 45.32 C ATOM 1343 C TYR A 90 -5.138 -4.071 1.796 1.00 15.05 C ATOM 1344 O TYR A 90 -5.924 -3.420 1.107 1.00 1.24 O ATOM 1345 CB TYR A 90 -3.393 -5.449 0.648 1.00 10.02 C ATOM 1346 CG TYR A 90 -3.488 -4.839 -0.732 1.00 23.33 C ATOM 1347 CD1 TYR A 90 -3.716 -3.478 -0.898 1.00 33.22 C ATOM 1348 CD2 TYR A 90 -3.351 -5.623 -1.870 1.00 63.44 C ATOM 1349 CE1 TYR A 90 -3.804 -2.917 -2.157 1.00 62.33 C ATOM 1350 CE2 TYR A 90 -3.437 -5.070 -3.133 1.00 11.13 C ATOM 1351 CZ TYR A 90 -3.664 -3.717 -3.271 1.00 12.13 C ATOM 1352 OH TYR A 90 -3.751 -3.163 -4.528 1.00 51.34 O ATOM 0 H TYR A 90 -6.345 -5.452 0.062 1.00 40.02 H new ATOM 0 HA TYR A 90 -4.612 -6.080 2.302 1.00 45.32 H new ATOM 0 HB2 TYR A 90 -2.671 -4.883 1.237 1.00 10.02 H new ATOM 0 HB3 TYR A 90 -3.007 -6.465 0.561 1.00 10.02 H new ATOM 0 HD1 TYR A 90 -3.826 -2.848 -0.028 1.00 33.22 H new ATOM 0 HD2 TYR A 90 -3.174 -6.683 -1.766 1.00 63.44 H new ATOM 0 HE1 TYR A 90 -3.981 -1.858 -2.268 1.00 62.33 H new ATOM 0 HE2 TYR A 90 -3.327 -5.694 -4.008 1.00 11.13 H new ATOM 0 HH TYR A 90 -3.629 -3.863 -5.203 1.00 51.34 H new ATOM 1361 N LYS A 91 -4.599 -3.600 2.916 1.00 5.14 N ATOM 1362 CA LYS A 91 -4.905 -2.263 3.410 1.00 30.14 C ATOM 1363 C LYS A 91 -3.827 -1.269 2.990 1.00 54.35 C ATOM 1364 O LYS A 91 -2.637 -1.499 3.205 1.00 21.13 O ATOM 1365 CB LYS A 91 -5.033 -2.278 4.935 1.00 63.22 C ATOM 1366 CG LYS A 91 -6.326 -1.663 5.442 1.00 74.13 C ATOM 1367 CD LYS A 91 -6.105 -0.881 6.726 1.00 74.05 C ATOM 1368 CE LYS A 91 -7.423 -0.431 7.338 1.00 55.41 C ATOM 1369 NZ LYS A 91 -7.344 -0.342 8.823 1.00 11.30 N ATOM 0 H LYS A 91 -3.947 -4.125 3.499 1.00 5.14 H new ATOM 0 HA LYS A 91 -5.854 -1.949 2.975 1.00 30.14 H new ATOM 0 HB2 LYS A 91 -4.968 -3.308 5.287 1.00 63.22 H new ATOM 0 HB3 LYS A 91 -4.190 -1.739 5.367 1.00 63.22 H new ATOM 0 HG2 LYS A 91 -6.740 -1.003 4.679 1.00 74.13 H new ATOM 0 HG3 LYS A 91 -7.061 -2.449 5.616 1.00 74.13 H new ATOM 0 HD2 LYS A 91 -5.563 -1.499 7.441 1.00 74.05 H new ATOM 0 HD3 LYS A 91 -5.482 -0.011 6.521 1.00 74.05 H new ATOM 0 HE2 LYS A 91 -7.699 0.541 6.930 1.00 55.41 H new ATOM 0 HE3 LYS A 91 -8.211 -1.130 7.058 1.00 55.41 H new ATOM 0 HZ1 LYS A 91 -8.137 0.228 9.179 1.00 11.30 H new ATOM 0 HZ2 LYS A 91 -7.394 -1.297 9.231 1.00 11.30 H new ATOM 0 HZ3 LYS A 91 -6.446 0.105 9.097 1.00 11.30 H new ATOM 1379 N VAL A 92 -4.252 -0.160 2.391 1.00 71.43 N ATOM 1380 CA VAL A 92 -3.325 0.871 1.945 1.00 1.42 C ATOM 1381 C VAL A 92 -3.471 2.141 2.775 1.00 42.23 C ATOM 1382 O VAL A 92 -4.481 2.839 2.686 1.00 61.31 O ATOM 1383 CB VAL A 92 -3.541 1.214 0.459 1.00 54.14 C ATOM 1384 CG1 VAL A 92 -2.459 2.164 -0.033 1.00 51.12 C ATOM 1385 CG2 VAL A 92 -3.573 -0.052 -0.382 1.00 2.33 C ATOM 0 H VAL A 92 -5.233 0.046 2.204 1.00 71.43 H new ATOM 0 HA VAL A 92 -2.320 0.470 2.076 1.00 1.42 H new ATOM 0 HB VAL A 92 -4.504 1.714 0.357 1.00 54.14 H new ATOM 0 HG11 VAL A 92 -2.628 2.395 -1.085 1.00 51.12 H new ATOM 0 HG12 VAL A 92 -2.490 3.084 0.550 1.00 51.12 H new ATOM 0 HG13 VAL A 92 -1.482 1.694 0.083 1.00 51.12 H new ATOM 0 HG21 VAL A 92 -3.726 0.210 -1.429 1.00 2.33 H new ATOM 0 HG22 VAL A 92 -2.627 -0.583 -0.276 1.00 2.33 H new ATOM 0 HG23 VAL A 92 -4.388 -0.692 -0.045 1.00 2.33 H new ATOM 1395 N ALA A 93 -2.458 2.434 3.582 1.00 11.30 N ATOM 1396 CA ALA A 93 -2.472 3.621 4.427 1.00 73.21 C ATOM 1397 C ALA A 93 -1.295 4.537 4.110 1.00 40.14 C ATOM 1398 O ALA A 93 -0.190 4.070 3.831 1.00 63.25 O ATOM 1399 CB ALA A 93 -2.453 3.224 5.896 1.00 31.42 C ATOM 0 H ALA A 93 -1.616 1.865 3.669 1.00 11.30 H new ATOM 0 HA ALA A 93 -3.391 4.170 4.222 1.00 73.21 H new ATOM 0 HB1 ALA A 93 -2.464 4.121 6.515 1.00 31.42 H new ATOM 0 HB2 ALA A 93 -3.330 2.618 6.120 1.00 31.42 H new ATOM 0 HB3 ALA A 93 -1.551 2.649 6.106 1.00 31.42 H new ATOM 1405 N HIS A 94 -1.539 5.844 4.151 1.00 21.53 N ATOM 1406 CA HIS A 94 -0.497 6.824 3.867 1.00 74.41 C ATOM 1407 C HIS A 94 -0.309 7.773 5.048 1.00 12.14 C ATOM 1408 O HIS A 94 -1.272 8.154 5.711 1.00 65.31 O ATOM 1409 CB HIS A 94 -0.847 7.620 2.610 1.00 33.01 C ATOM 1410 CG HIS A 94 -0.887 6.787 1.366 1.00 75.12 C ATOM 1411 ND1 HIS A 94 -0.229 7.136 0.205 1.00 41.33 N ATOM 1412 CD2 HIS A 94 -1.510 5.614 1.106 1.00 23.12 C ATOM 1413 CE1 HIS A 94 -0.448 6.214 -0.715 1.00 0.41 C ATOM 1414 NE2 HIS A 94 -1.221 5.279 -0.195 1.00 33.14 N ATOM 0 H HIS A 94 -2.448 6.248 4.378 1.00 21.53 H new ATOM 0 HA HIS A 94 0.438 6.288 3.701 1.00 74.41 H new ATOM 0 HB2 HIS A 94 -1.817 8.096 2.750 1.00 33.01 H new ATOM 0 HB3 HIS A 94 -0.116 8.418 2.480 1.00 33.01 H new ATOM 0 HD1 HIS A 94 0.338 7.974 0.077 1.00 41.33 H new ATOM 0 HD2 HIS A 94 -2.121 5.047 1.793 1.00 23.12 H new ATOM 0 HE1 HIS A 94 -0.060 6.224 -1.723 1.00 0.41 H new ATOM 1421 N SER A 95 0.941 8.148 5.304 1.00 54.14 N ATOM 1422 CA SER A 95 1.257 9.049 6.407 1.00 30.22 C ATOM 1423 C SER A 95 2.048 10.257 5.913 1.00 24.40 C ATOM 1424 O SER A 95 3.141 10.114 5.365 1.00 61.15 O ATOM 1425 CB SER A 95 2.053 8.310 7.484 1.00 20.42 C ATOM 1426 OG SER A 95 1.923 6.906 7.341 1.00 2.20 O ATOM 0 H SER A 95 1.750 7.842 4.763 1.00 54.14 H new ATOM 0 HA SER A 95 0.319 9.402 6.836 1.00 30.22 H new ATOM 0 HB2 SER A 95 3.105 8.589 7.419 1.00 20.42 H new ATOM 0 HB3 SER A 95 1.703 8.612 8.471 1.00 20.42 H new ATOM 0 HG SER A 95 2.569 6.583 6.678 1.00 2.20 H new ATOM 1431 N ASP A 96 1.487 11.444 6.112 1.00 1.10 N ATOM 1432 CA ASP A 96 2.139 12.678 5.688 1.00 35.11 C ATOM 1433 C ASP A 96 3.065 13.206 6.779 1.00 21.45 C ATOM 1434 O ASP A 96 4.089 13.827 6.492 1.00 61.12 O ATOM 1435 CB ASP A 96 1.093 13.736 5.334 1.00 54.33 C ATOM 1436 CG ASP A 96 1.720 15.045 4.895 1.00 44.42 C ATOM 1437 OD1 ASP A 96 2.815 15.007 4.293 1.00 61.32 O ATOM 1438 OD2 ASP A 96 1.117 16.107 5.150 1.00 74.52 O ATOM 0 H ASP A 96 0.583 11.578 6.564 1.00 1.10 H new ATOM 0 HA ASP A 96 2.737 12.459 4.804 1.00 35.11 H new ATOM 0 HB2 ASP A 96 0.453 13.358 4.537 1.00 54.33 H new ATOM 0 HB3 ASP A 96 0.454 13.914 6.199 1.00 54.33 H new ATOM 1442 N ASP A 97 2.700 12.953 8.031 1.00 40.03 N ATOM 1443 CA ASP A 97 3.499 13.402 9.166 1.00 74.14 C ATOM 1444 C ASP A 97 4.433 12.295 9.645 1.00 52.13 C ATOM 1445 O ASP A 97 5.408 12.554 10.349 1.00 30.12 O ATOM 1446 CB ASP A 97 2.589 13.850 10.311 1.00 14.14 C ATOM 1447 CG ASP A 97 2.537 15.359 10.452 1.00 20.12 C ATOM 1448 OD1 ASP A 97 3.614 15.984 10.554 1.00 65.12 O ATOM 1449 OD2 ASP A 97 1.419 15.915 10.461 1.00 43.14 O ATOM 0 H ASP A 97 1.856 12.440 8.286 1.00 40.03 H new ATOM 0 HA ASP A 97 4.105 14.248 8.841 1.00 74.14 H new ATOM 0 HB2 ASP A 97 1.582 13.469 10.141 1.00 14.14 H new ATOM 0 HB3 ASP A 97 2.942 13.413 11.245 1.00 14.14 H new ATOM 1453 N GLY A 98 4.128 11.061 9.257 1.00 74.42 N ATOM 1454 CA GLY A 98 4.949 9.934 9.658 1.00 65.34 C ATOM 1455 C GLY A 98 4.298 9.098 10.742 1.00 61.21 C ATOM 1456 O GLY A 98 4.424 7.874 10.753 1.00 3.33 O ATOM 0 H GLY A 98 3.327 10.822 8.672 1.00 74.42 H new ATOM 0 HA2 GLY A 98 5.148 9.306 8.789 1.00 65.34 H new ATOM 0 HA3 GLY A 98 5.912 10.299 10.014 1.00 65.34 H new ATOM 1460 N VAL A 99 3.600 9.761 11.659 1.00 61.03 N ATOM 1461 CA VAL A 99 2.927 9.071 12.753 1.00 73.05 C ATOM 1462 C VAL A 99 1.438 8.907 12.466 1.00 33.42 C ATOM 1463 O VAL A 99 0.806 7.963 12.941 1.00 55.43 O ATOM 1464 CB VAL A 99 3.102 9.827 14.085 1.00 5.31 C ATOM 1465 CG1 VAL A 99 4.575 9.934 14.447 1.00 21.24 C ATOM 1466 CG2 VAL A 99 2.463 11.204 14.002 1.00 34.31 C ATOM 0 H VAL A 99 3.486 10.775 11.666 1.00 61.03 H new ATOM 0 HA VAL A 99 3.388 8.087 12.839 1.00 73.05 H new ATOM 0 HB VAL A 99 2.599 9.265 14.872 1.00 5.31 H new ATOM 0 HG11 VAL A 99 4.680 10.471 15.390 1.00 21.24 H new ATOM 0 HG12 VAL A 99 4.998 8.935 14.549 1.00 21.24 H new ATOM 0 HG13 VAL A 99 5.104 10.474 13.662 1.00 21.24 H new ATOM 0 HG21 VAL A 99 2.596 11.724 14.951 1.00 34.31 H new ATOM 0 HG22 VAL A 99 2.936 11.777 13.205 1.00 34.31 H new ATOM 0 HG23 VAL A 99 1.399 11.099 13.791 1.00 34.31 H new ATOM 1476 N GLN A 100 0.885 9.832 11.687 1.00 33.54 N ATOM 1477 CA GLN A 100 -0.530 9.789 11.339 1.00 12.13 C ATOM 1478 C GLN A 100 -0.761 8.914 10.111 1.00 15.42 C ATOM 1479 O GLN A 100 -0.437 9.304 8.989 1.00 73.44 O ATOM 1480 CB GLN A 100 -1.055 11.202 11.079 1.00 22.31 C ATOM 1481 CG GLN A 100 -0.761 12.177 12.208 1.00 45.12 C ATOM 1482 CD GLN A 100 -1.169 13.598 11.872 1.00 10.30 C ATOM 1483 OE1 GLN A 100 -2.149 13.824 11.161 1.00 2.25 O ATOM 1484 NE2 GLN A 100 -0.417 14.567 12.383 1.00 2.15 N ATOM 0 H GLN A 100 1.395 10.619 11.286 1.00 33.54 H new ATOM 0 HA GLN A 100 -1.073 9.356 12.179 1.00 12.13 H new ATOM 0 HB2 GLN A 100 -0.613 11.581 10.158 1.00 22.31 H new ATOM 0 HB3 GLN A 100 -2.132 11.157 10.920 1.00 22.31 H new ATOM 0 HG2 GLN A 100 -1.286 11.855 13.107 1.00 45.12 H new ATOM 0 HG3 GLN A 100 0.305 12.153 12.436 1.00 45.12 H new ATOM 0 HE21 GLN A 100 0.386 14.335 12.967 1.00 2.15 H new ATOM 0 HE22 GLN A 100 -0.643 15.543 12.191 1.00 2.15 H new ATOM 1491 N TRP A 101 -1.322 7.731 10.332 1.00 3.10 N ATOM 1492 CA TRP A 101 -1.597 6.800 9.243 1.00 12.34 C ATOM 1493 C TRP A 101 -3.036 6.938 8.758 1.00 55.11 C ATOM 1494 O TRP A 101 -3.981 6.703 9.511 1.00 35.32 O ATOM 1495 CB TRP A 101 -1.334 5.363 9.693 1.00 34.04 C ATOM 1496 CG TRP A 101 -0.034 5.198 10.422 1.00 2.32 C ATOM 1497 CD1 TRP A 101 1.110 5.919 10.231 1.00 12.33 C ATOM 1498 CD2 TRP A 101 0.255 4.251 11.456 1.00 23.12 C ATOM 1499 NE1 TRP A 101 2.093 5.477 11.084 1.00 50.10 N ATOM 1500 CE2 TRP A 101 1.593 4.454 11.846 1.00 43.01 C ATOM 1501 CE3 TRP A 101 -0.486 3.251 12.090 1.00 73.52 C ATOM 1502 CZ2 TRP A 101 2.202 3.694 12.841 1.00 73.31 C ATOM 1503 CZ3 TRP A 101 0.119 2.498 13.078 1.00 23.34 C ATOM 1504 CH2 TRP A 101 1.452 2.722 13.446 1.00 54.22 C ATOM 0 H TRP A 101 -1.595 7.393 11.255 1.00 3.10 H new ATOM 0 HA TRP A 101 -0.930 7.042 8.416 1.00 12.34 H new ATOM 0 HB2 TRP A 101 -2.149 5.037 10.339 1.00 34.04 H new ATOM 0 HB3 TRP A 101 -1.339 4.710 8.820 1.00 34.04 H new ATOM 0 HD1 TRP A 101 1.225 6.719 9.515 1.00 12.33 H new ATOM 0 HE1 TRP A 101 3.041 5.850 11.141 1.00 50.10 H new ATOM 0 HE3 TRP A 101 -1.514 3.070 11.813 1.00 73.52 H new ATOM 0 HZ2 TRP A 101 3.230 3.865 13.125 1.00 73.31 H new ATOM 0 HZ3 TRP A 101 -0.446 1.723 13.575 1.00 23.34 H new ATOM 0 HH2 TRP A 101 1.896 2.116 14.222 1.00 54.22 H new ATOM 1514 N THR A 102 -3.197 7.322 7.495 1.00 72.11 N ATOM 1515 CA THR A 102 -4.521 7.492 6.911 1.00 1.44 C ATOM 1516 C THR A 102 -4.898 6.295 6.045 1.00 33.00 C ATOM 1517 O THR A 102 -4.358 6.111 4.954 1.00 21.35 O ATOM 1518 CB THR A 102 -4.599 8.773 6.059 1.00 23.42 C ATOM 1519 OG1 THR A 102 -4.353 9.922 6.877 1.00 61.42 O ATOM 1520 CG2 THR A 102 -5.962 8.899 5.394 1.00 33.35 C ATOM 0 H THR A 102 -2.426 7.521 6.857 1.00 72.11 H new ATOM 0 HA THR A 102 -5.224 7.573 7.740 1.00 1.44 H new ATOM 0 HB THR A 102 -3.838 8.712 5.281 1.00 23.42 H new ATOM 0 HG1 THR A 102 -4.403 10.732 6.327 1.00 61.42 H new ATOM 0 HG21 THR A 102 -5.993 9.811 4.798 1.00 33.35 H new ATOM 0 HG22 THR A 102 -6.133 8.038 4.748 1.00 33.35 H new ATOM 0 HG23 THR A 102 -6.738 8.939 6.159 1.00 33.35 H new ATOM 1528 N VAL A 103 -5.829 5.485 6.537 1.00 22.05 N ATOM 1529 CA VAL A 103 -6.279 4.306 5.807 1.00 22.02 C ATOM 1530 C VAL A 103 -7.470 4.635 4.913 1.00 32.12 C ATOM 1531 O VAL A 103 -7.840 5.798 4.757 1.00 35.12 O ATOM 1532 CB VAL A 103 -6.671 3.167 6.767 1.00 23.01 C ATOM 1533 CG1 VAL A 103 -5.536 2.868 7.734 1.00 44.41 C ATOM 1534 CG2 VAL A 103 -7.944 3.520 7.520 1.00 73.44 C ATOM 0 H VAL A 103 -6.287 5.623 7.438 1.00 22.05 H new ATOM 0 HA VAL A 103 -5.443 3.978 5.189 1.00 22.02 H new ATOM 0 HB VAL A 103 -6.861 2.269 6.179 1.00 23.01 H new ATOM 0 HG11 VAL A 103 -5.832 2.061 8.404 1.00 44.41 H new ATOM 0 HG12 VAL A 103 -4.650 2.568 7.174 1.00 44.41 H new ATOM 0 HG13 VAL A 103 -5.311 3.760 8.318 1.00 44.41 H new ATOM 0 HG21 VAL A 103 -8.206 2.704 8.194 1.00 73.44 H new ATOM 0 HG22 VAL A 103 -7.784 4.431 8.098 1.00 73.44 H new ATOM 0 HG23 VAL A 103 -8.755 3.679 6.809 1.00 73.44 H new ATOM 1544 N TYR A 104 -8.066 3.602 4.327 1.00 13.42 N ATOM 1545 CA TYR A 104 -9.214 3.782 3.447 1.00 64.01 C ATOM 1546 C TYR A 104 -10.386 2.914 3.896 1.00 45.20 C ATOM 1547 O TYR A 104 -10.636 1.850 3.331 1.00 2.13 O ATOM 1548 CB TYR A 104 -8.836 3.440 2.004 1.00 32.53 C ATOM 1549 CG TYR A 104 -8.430 4.644 1.184 1.00 24.14 C ATOM 1550 CD1 TYR A 104 -9.261 5.751 1.081 1.00 72.21 C ATOM 1551 CD2 TYR A 104 -7.215 4.672 0.511 1.00 22.14 C ATOM 1552 CE1 TYR A 104 -8.895 6.853 0.332 1.00 34.25 C ATOM 1553 CE2 TYR A 104 -6.839 5.769 -0.239 1.00 13.00 C ATOM 1554 CZ TYR A 104 -7.682 6.857 -0.325 1.00 41.14 C ATOM 1555 OH TYR A 104 -7.313 7.952 -1.073 1.00 14.22 O ATOM 0 H TYR A 104 -7.773 2.632 4.446 1.00 13.42 H new ATOM 0 HA TYR A 104 -9.518 4.827 3.498 1.00 64.01 H new ATOM 0 HB2 TYR A 104 -8.015 2.723 2.012 1.00 32.53 H new ATOM 0 HB3 TYR A 104 -9.682 2.951 1.522 1.00 32.53 H new ATOM 0 HD1 TYR A 104 -10.211 5.751 1.595 1.00 72.21 H new ATOM 0 HD2 TYR A 104 -6.553 3.821 0.575 1.00 22.14 H new ATOM 0 HE1 TYR A 104 -9.554 7.706 0.261 1.00 34.25 H new ATOM 0 HE2 TYR A 104 -5.890 5.775 -0.755 1.00 13.00 H new ATOM 0 HH TYR A 104 -6.417 7.808 -1.443 1.00 14.22 H new ATOM 1632 N LYS A 111 -12.668 -1.368 4.469 1.00 63.22 N ATOM 1633 CA LYS A 111 -12.973 -2.155 3.280 1.00 3.45 C ATOM 1634 C LYS A 111 -11.705 -2.453 2.486 1.00 5.31 C ATOM 1635 O LYS A 111 -11.769 -2.917 1.348 1.00 44.43 O ATOM 1636 CB LYS A 111 -13.979 -1.413 2.397 1.00 5.33 C ATOM 1637 CG LYS A 111 -13.506 -0.037 1.961 1.00 51.43 C ATOM 1638 CD LYS A 111 -12.747 -0.098 0.646 1.00 62.41 C ATOM 1639 CE LYS A 111 -13.438 0.720 -0.434 1.00 51.02 C ATOM 1640 NZ LYS A 111 -14.377 -0.106 -1.241 1.00 61.22 N ATOM 0 HA LYS A 111 -13.410 -3.100 3.602 1.00 3.45 H new ATOM 0 HB2 LYS A 111 -14.186 -2.014 1.512 1.00 5.33 H new ATOM 0 HB3 LYS A 111 -14.919 -1.310 2.939 1.00 5.33 H new ATOM 0 HG2 LYS A 111 -14.364 0.627 1.856 1.00 51.43 H new ATOM 0 HG3 LYS A 111 -12.865 0.390 2.733 1.00 51.43 H new ATOM 0 HD2 LYS A 111 -11.733 0.273 0.792 1.00 62.41 H new ATOM 0 HD3 LYS A 111 -12.663 -1.135 0.321 1.00 62.41 H new ATOM 0 HE2 LYS A 111 -13.983 1.543 0.027 1.00 51.02 H new ATOM 0 HE3 LYS A 111 -12.688 1.162 -1.090 1.00 51.02 H new ATOM 0 HZ1 LYS A 111 -14.827 0.489 -1.966 1.00 61.22 H new ATOM 0 HZ2 LYS A 111 -13.853 -0.877 -1.702 1.00 61.22 H new ATOM 0 HZ3 LYS A 111 -15.108 -0.508 -0.620 1.00 61.22 H new ATOM 1650 N VAL A 112 -10.554 -2.185 3.094 1.00 4.41 N ATOM 1651 CA VAL A 112 -9.271 -2.427 2.444 1.00 44.34 C ATOM 1652 C VAL A 112 -9.373 -2.226 0.936 1.00 31.44 C ATOM 1653 O VAL A 112 -10.261 -1.525 0.451 1.00 52.32 O ATOM 1654 CB VAL A 112 -8.759 -3.851 2.727 1.00 12.01 C ATOM 1655 CG1 VAL A 112 -8.684 -4.104 4.226 1.00 42.13 C ATOM 1656 CG2 VAL A 112 -9.648 -4.882 2.048 1.00 23.04 C ATOM 0 H VAL A 112 -10.483 -1.800 4.036 1.00 4.41 H new ATOM 0 HA VAL A 112 -8.565 -1.706 2.857 1.00 44.34 H new ATOM 0 HB VAL A 112 -7.754 -3.945 2.316 1.00 12.01 H new ATOM 0 HG11 VAL A 112 -8.320 -5.115 4.407 1.00 42.13 H new ATOM 0 HG12 VAL A 112 -8.002 -3.386 4.682 1.00 42.13 H new ATOM 0 HG13 VAL A 112 -9.676 -3.992 4.664 1.00 42.13 H new ATOM 0 HG21 VAL A 112 -9.271 -5.883 2.259 1.00 23.04 H new ATOM 0 HG22 VAL A 112 -10.666 -4.790 2.427 1.00 23.04 H new ATOM 0 HG23 VAL A 112 -9.645 -4.713 0.971 1.00 23.04 H new ATOM 1666 N PHE A 113 -8.457 -2.847 0.199 1.00 54.43 N ATOM 1667 CA PHE A 113 -8.444 -2.736 -1.255 1.00 14.15 C ATOM 1668 C PHE A 113 -8.049 -4.062 -1.897 1.00 24.04 C ATOM 1669 O PHE A 113 -7.308 -4.851 -1.311 1.00 14.41 O ATOM 1670 CB PHE A 113 -7.475 -1.635 -1.694 1.00 42.30 C ATOM 1671 CG PHE A 113 -8.145 -0.319 -1.962 1.00 74.23 C ATOM 1672 CD1 PHE A 113 -8.653 0.441 -0.920 1.00 4.32 C ATOM 1673 CD2 PHE A 113 -8.270 0.160 -3.257 1.00 72.32 C ATOM 1674 CE1 PHE A 113 -9.270 1.653 -1.163 1.00 72.35 C ATOM 1675 CE2 PHE A 113 -8.887 1.372 -3.506 1.00 0.12 C ATOM 1676 CZ PHE A 113 -9.388 2.118 -2.458 1.00 40.23 C ATOM 0 H PHE A 113 -7.715 -3.431 0.584 1.00 54.43 H new ATOM 0 HA PHE A 113 -9.450 -2.478 -1.585 1.00 14.15 H new ATOM 0 HB2 PHE A 113 -6.719 -1.498 -0.921 1.00 42.30 H new ATOM 0 HB3 PHE A 113 -6.954 -1.959 -2.595 1.00 42.30 H new ATOM 0 HD1 PHE A 113 -8.565 0.081 0.095 1.00 4.32 H new ATOM 0 HD2 PHE A 113 -7.881 -0.420 -4.081 1.00 72.32 H new ATOM 0 HE1 PHE A 113 -9.659 2.236 -0.341 1.00 72.35 H new ATOM 0 HE2 PHE A 113 -8.977 1.735 -4.519 1.00 0.12 H new ATOM 0 HZ PHE A 113 -9.872 3.064 -2.651 1.00 40.23 H new ATOM 1685 N GLN A 114 -8.549 -4.300 -3.105 1.00 54.23 N ATOM 1686 CA GLN A 114 -8.250 -5.531 -3.827 1.00 20.31 C ATOM 1687 C GLN A 114 -7.216 -5.283 -4.920 1.00 5.20 C ATOM 1688 O GLN A 114 -7.137 -4.190 -5.479 1.00 33.32 O ATOM 1689 CB GLN A 114 -9.527 -6.111 -4.438 1.00 24.25 C ATOM 1690 CG GLN A 114 -10.668 -6.250 -3.444 1.00 73.53 C ATOM 1691 CD GLN A 114 -12.010 -6.455 -4.120 1.00 50.43 C ATOM 1692 OE1 GLN A 114 -12.751 -7.380 -3.787 1.00 15.11 O ATOM 1693 NE2 GLN A 114 -12.329 -5.591 -5.077 1.00 54.42 N ATOM 0 H GLN A 114 -9.163 -3.657 -3.604 1.00 54.23 H new ATOM 0 HA GLN A 114 -7.837 -6.248 -3.118 1.00 20.31 H new ATOM 0 HB2 GLN A 114 -9.849 -5.472 -5.261 1.00 24.25 H new ATOM 0 HB3 GLN A 114 -9.305 -7.090 -4.862 1.00 24.25 H new ATOM 0 HG2 GLN A 114 -10.467 -7.092 -2.781 1.00 73.53 H new ATOM 0 HG3 GLN A 114 -10.712 -5.357 -2.820 1.00 73.53 H new ATOM 0 HE21 GLN A 114 -11.684 -4.839 -5.321 1.00 54.42 H new ATOM 0 HE22 GLN A 114 -13.219 -5.679 -5.568 1.00 54.42 H new ATOM 1700 N GLY A 115 -6.424 -6.308 -5.222 1.00 44.23 N ATOM 1701 CA GLY A 115 -5.405 -6.181 -6.248 1.00 42.14 C ATOM 1702 C GLY A 115 -5.800 -6.859 -7.546 1.00 32.41 C ATOM 1703 O GLY A 115 -6.919 -6.687 -8.027 1.00 22.53 O ATOM 0 H GLY A 115 -6.470 -7.223 -4.775 1.00 44.23 H new ATOM 0 HA2 GLY A 115 -5.214 -5.125 -6.437 1.00 42.14 H new ATOM 0 HA3 GLY A 115 -4.473 -6.613 -5.885 1.00 42.14 H new ATOM 1707 N ASN A 116 -4.878 -7.630 -8.112 1.00 42.14 N ATOM 1708 CA ASN A 116 -5.135 -8.334 -9.363 1.00 50.15 C ATOM 1709 C ASN A 116 -4.606 -9.763 -9.301 1.00 3.32 C ATOM 1710 O ASN A 116 -4.061 -10.192 -8.284 1.00 31.20 O ATOM 1711 CB ASN A 116 -4.490 -7.589 -10.534 1.00 60.41 C ATOM 1712 CG ASN A 116 -5.151 -6.251 -10.803 1.00 71.42 C ATOM 1713 OD1 ASN A 116 -6.369 -6.171 -10.969 1.00 52.41 O ATOM 1714 ND2 ASN A 116 -4.350 -5.194 -10.847 1.00 21.31 N ATOM 0 H ASN A 116 -3.947 -7.783 -7.725 1.00 42.14 H new ATOM 0 HA ASN A 116 -6.214 -8.371 -9.515 1.00 50.15 H new ATOM 0 HB2 ASN A 116 -3.432 -7.433 -10.323 1.00 60.41 H new ATOM 0 HB3 ASN A 116 -4.548 -8.207 -11.430 1.00 60.41 H new ATOM 0 HD21 ASN A 116 -4.738 -4.267 -11.024 1.00 21.31 H new ATOM 0 HD22 ASN A 116 -3.347 -5.308 -10.704 1.00 21.31 H new ATOM 1720 N LEU A 117 -4.770 -10.497 -10.398 1.00 34.54 N ATOM 1721 CA LEU A 117 -4.308 -11.878 -10.469 1.00 5.13 C ATOM 1722 C LEU A 117 -3.231 -12.039 -11.539 1.00 75.12 C ATOM 1723 O LEU A 117 -3.220 -13.022 -12.280 1.00 34.24 O ATOM 1724 CB LEU A 117 -5.480 -12.815 -10.766 1.00 54.33 C ATOM 1725 CG LEU A 117 -6.680 -12.708 -9.823 1.00 41.21 C ATOM 1726 CD1 LEU A 117 -7.980 -12.884 -10.591 1.00 11.32 C ATOM 1727 CD2 LEU A 117 -6.574 -13.738 -8.708 1.00 35.12 C ATOM 0 H LEU A 117 -5.219 -10.158 -11.249 1.00 34.54 H new ATOM 0 HA LEU A 117 -3.877 -12.140 -9.503 1.00 5.13 H new ATOM 0 HB2 LEU A 117 -5.824 -12.624 -11.783 1.00 54.33 H new ATOM 0 HB3 LEU A 117 -5.114 -13.841 -10.741 1.00 54.33 H new ATOM 0 HG LEU A 117 -6.679 -11.714 -9.375 1.00 41.21 H new ATOM 0 HD11 LEU A 117 -8.822 -12.805 -9.904 1.00 11.32 H new ATOM 0 HD12 LEU A 117 -8.060 -12.109 -11.354 1.00 11.32 H new ATOM 0 HD13 LEU A 117 -7.991 -13.864 -11.067 1.00 11.32 H new ATOM 0 HD21 LEU A 117 -7.436 -13.648 -8.046 1.00 35.12 H new ATOM 0 HD22 LEU A 117 -6.550 -14.739 -9.139 1.00 35.12 H new ATOM 0 HD23 LEU A 117 -5.660 -13.566 -8.139 1.00 35.12 H new ATOM 1738 N ASP A 118 -2.328 -11.066 -11.611 1.00 62.53 N ATOM 1739 CA ASP A 118 -1.246 -11.101 -12.587 1.00 3.31 C ATOM 1740 C ASP A 118 0.023 -10.476 -12.014 1.00 71.13 C ATOM 1741 O ASP A 118 0.011 -9.333 -11.559 1.00 14.33 O ATOM 1742 CB ASP A 118 -1.658 -10.367 -13.864 1.00 63.04 C ATOM 1743 CG ASP A 118 -2.791 -11.065 -14.592 1.00 71.11 C ATOM 1744 OD1 ASP A 118 -2.531 -12.100 -15.240 1.00 71.11 O ATOM 1745 OD2 ASP A 118 -3.938 -10.574 -14.515 1.00 2.24 O ATOM 0 H ASP A 118 -2.325 -10.245 -11.006 1.00 62.53 H new ATOM 0 HA ASP A 118 -1.040 -12.144 -12.827 1.00 3.31 H new ATOM 0 HB2 ASP A 118 -1.962 -9.351 -13.614 1.00 63.04 H new ATOM 0 HB3 ASP A 118 -0.797 -10.288 -14.528 1.00 63.04 H new ATOM 1749 N ASN A 119 1.113 -11.234 -12.040 1.00 13.20 N ATOM 1750 CA ASN A 119 2.389 -10.755 -11.522 1.00 32.12 C ATOM 1751 C ASN A 119 3.058 -9.807 -12.512 1.00 55.42 C ATOM 1752 O ASN A 119 3.729 -8.854 -12.119 1.00 42.04 O ATOM 1753 CB ASN A 119 3.317 -11.935 -11.222 1.00 54.33 C ATOM 1754 CG ASN A 119 4.055 -12.417 -12.456 1.00 13.13 C ATOM 1755 OD1 ASN A 119 5.175 -11.986 -12.731 1.00 11.14 O ATOM 1756 ND2 ASN A 119 3.429 -13.315 -13.207 1.00 34.52 N ATOM 0 H ASN A 119 1.139 -12.183 -12.414 1.00 13.20 H new ATOM 0 HA ASN A 119 2.195 -10.209 -10.599 1.00 32.12 H new ATOM 0 HB2 ASN A 119 4.040 -11.641 -10.461 1.00 54.33 H new ATOM 0 HB3 ASN A 119 2.733 -12.757 -10.807 1.00 54.33 H new ATOM 0 HD21 ASN A 119 3.876 -13.676 -14.050 1.00 34.52 H new ATOM 0 HD22 ASN A 119 2.501 -13.644 -12.941 1.00 34.52 H new ATOM 1762 N ASN A 120 2.868 -10.075 -13.801 1.00 74.32 N ATOM 1763 CA ASN A 120 3.452 -9.246 -14.848 1.00 2.23 C ATOM 1764 C ASN A 120 2.737 -7.901 -14.940 1.00 31.44 C ATOM 1765 O ASN A 120 3.370 -6.846 -14.895 1.00 40.53 O ATOM 1766 CB ASN A 120 3.382 -9.966 -16.196 1.00 42.40 C ATOM 1767 CG ASN A 120 2.013 -10.560 -16.464 1.00 62.42 C ATOM 1768 OD1 ASN A 120 1.604 -11.523 -15.815 1.00 71.13 O ATOM 1769 ND2 ASN A 120 1.296 -9.987 -17.423 1.00 42.30 N ATOM 0 H ASN A 120 2.314 -10.860 -14.144 1.00 74.32 H new ATOM 0 HA ASN A 120 4.496 -9.066 -14.593 1.00 2.23 H new ATOM 0 HB2 ASN A 120 3.633 -9.265 -16.992 1.00 42.40 H new ATOM 0 HB3 ASN A 120 4.130 -10.758 -16.221 1.00 42.40 H new ATOM 0 HD21 ASN A 120 0.367 -10.343 -17.647 1.00 42.30 H new ATOM 0 HD22 ASN A 120 1.674 -9.191 -17.936 1.00 42.30 H new ATOM 1775 N SER A 121 1.415 -7.947 -15.066 1.00 2.33 N ATOM 1776 CA SER A 121 0.614 -6.734 -15.168 1.00 73.21 C ATOM 1777 C SER A 121 0.788 -5.863 -13.926 1.00 43.02 C ATOM 1778 O SER A 121 0.549 -6.308 -12.803 1.00 41.21 O ATOM 1779 CB SER A 121 -0.864 -7.087 -15.354 1.00 55.21 C ATOM 1780 OG SER A 121 -1.592 -6.882 -14.155 1.00 1.31 O ATOM 0 H SER A 121 0.876 -8.812 -15.100 1.00 2.33 H new ATOM 0 HA SER A 121 0.958 -6.172 -16.037 1.00 73.21 H new ATOM 0 HB2 SER A 121 -1.290 -6.477 -16.150 1.00 55.21 H new ATOM 0 HB3 SER A 121 -0.956 -8.127 -15.666 1.00 55.21 H new ATOM 0 HG SER A 121 -1.000 -7.018 -13.386 1.00 1.31 H new ATOM 1785 N HIS A 122 1.206 -4.620 -14.138 1.00 75.24 N ATOM 1786 CA HIS A 122 1.412 -3.685 -13.037 1.00 51.44 C ATOM 1787 C HIS A 122 0.286 -2.657 -12.979 1.00 4.11 C ATOM 1788 O HIS A 122 -0.109 -2.092 -14.000 1.00 25.25 O ATOM 1789 CB HIS A 122 2.758 -2.975 -13.187 1.00 45.43 C ATOM 1790 CG HIS A 122 2.724 -1.821 -14.142 1.00 72.44 C ATOM 1791 ND1 HIS A 122 2.161 -1.900 -15.399 1.00 71.22 N ATOM 1792 CD2 HIS A 122 3.184 -0.554 -14.017 1.00 71.34 C ATOM 1793 CE1 HIS A 122 2.280 -0.732 -16.005 1.00 65.23 C ATOM 1794 NE2 HIS A 122 2.896 0.102 -15.188 1.00 35.40 N ATOM 0 H HIS A 122 1.409 -4.236 -15.061 1.00 75.24 H new ATOM 0 HA HIS A 122 1.411 -4.253 -12.107 1.00 51.44 H new ATOM 0 HB2 HIS A 122 3.082 -2.617 -12.210 1.00 45.43 H new ATOM 0 HB3 HIS A 122 3.503 -3.695 -13.526 1.00 45.43 H new ATOM 0 HD2 HIS A 122 3.685 -0.137 -13.156 1.00 71.34 H new ATOM 0 HE1 HIS A 122 1.932 -0.499 -17.001 1.00 65.23 H new ATOM 0 HE2 HIS A 122 3.121 1.075 -15.393 1.00 35.40 H new ATOM 1801 N LYS A 123 -0.230 -2.418 -11.777 1.00 0.41 N ATOM 1802 CA LYS A 123 -1.310 -1.459 -11.585 1.00 41.03 C ATOM 1803 C LYS A 123 -1.826 -1.502 -10.150 1.00 53.23 C ATOM 1804 O LYS A 123 -1.371 -2.308 -9.339 1.00 4.54 O ATOM 1805 CB LYS A 123 -2.456 -1.746 -12.559 1.00 12.54 C ATOM 1806 CG LYS A 123 -2.684 -0.638 -13.572 1.00 52.14 C ATOM 1807 CD LYS A 123 -4.143 -0.211 -13.610 1.00 3.42 C ATOM 1808 CE LYS A 123 -4.292 1.214 -14.121 1.00 65.00 C ATOM 1809 NZ LYS A 123 -3.839 2.214 -13.116 1.00 15.21 N ATOM 0 H LYS A 123 0.084 -2.876 -10.921 1.00 0.41 H new ATOM 0 HA LYS A 123 -0.916 -0.462 -11.782 1.00 41.03 H new ATOM 0 HB2 LYS A 123 -2.247 -2.675 -13.090 1.00 12.54 H new ATOM 0 HB3 LYS A 123 -3.373 -1.903 -11.992 1.00 12.54 H new ATOM 0 HG2 LYS A 123 -2.059 0.219 -13.322 1.00 52.14 H new ATOM 0 HG3 LYS A 123 -2.377 -0.979 -14.561 1.00 52.14 H new ATOM 0 HD2 LYS A 123 -4.706 -0.890 -14.251 1.00 3.42 H new ATOM 0 HD3 LYS A 123 -4.572 -0.287 -12.611 1.00 3.42 H new ATOM 0 HE2 LYS A 123 -3.714 1.333 -15.038 1.00 65.00 H new ATOM 0 HE3 LYS A 123 -5.335 1.401 -14.375 1.00 65.00 H new ATOM 0 HZ1 LYS A 123 -4.212 3.152 -13.367 1.00 15.21 H new ATOM 0 HZ2 LYS A 123 -4.188 1.943 -12.175 1.00 15.21 H new ATOM 0 HZ3 LYS A 123 -2.800 2.247 -13.103 1.00 15.21 H new ATOM 1819 N LYS A 124 -2.781 -0.629 -9.844 1.00 64.41 N ATOM 1820 CA LYS A 124 -3.362 -0.569 -8.507 1.00 1.13 C ATOM 1821 C LYS A 124 -4.537 0.403 -8.469 1.00 52.20 C ATOM 1822 O LYS A 124 -5.688 -0.005 -8.317 1.00 14.35 O ATOM 1823 CB LYS A 124 -2.303 -0.147 -7.487 1.00 41.32 C ATOM 1824 CG LYS A 124 -2.646 -0.532 -6.058 1.00 51.45 C ATOM 1825 CD LYS A 124 -1.495 -0.243 -5.111 1.00 35.42 C ATOM 1826 CE LYS A 124 -1.926 -0.363 -3.657 1.00 74.31 C ATOM 1827 NZ LYS A 124 -0.902 0.190 -2.727 1.00 60.53 N ATOM 0 H LYS A 124 -3.169 0.046 -10.503 1.00 64.41 H new ATOM 0 HA LYS A 124 -3.727 -1.564 -8.251 1.00 1.13 H new ATOM 0 HB2 LYS A 124 -1.349 -0.600 -7.757 1.00 41.32 H new ATOM 0 HB3 LYS A 124 -2.169 0.933 -7.541 1.00 41.32 H new ATOM 0 HG2 LYS A 124 -3.531 0.017 -5.735 1.00 51.45 H new ATOM 0 HG3 LYS A 124 -2.895 -1.592 -6.016 1.00 51.45 H new ATOM 0 HD2 LYS A 124 -0.678 -0.937 -5.308 1.00 35.42 H new ATOM 0 HD3 LYS A 124 -1.113 0.761 -5.297 1.00 35.42 H new ATOM 0 HE2 LYS A 124 -2.869 0.164 -3.513 1.00 74.31 H new ATOM 0 HE3 LYS A 124 -2.106 -1.411 -3.417 1.00 74.31 H new ATOM 0 HZ1 LYS A 124 -1.113 -0.117 -1.756 1.00 60.53 H new ATOM 0 HZ2 LYS A 124 0.040 -0.155 -3.002 1.00 60.53 H new ATOM 0 HZ3 LYS A 124 -0.917 1.229 -2.772 1.00 60.53 H new ATOM 1837 N ASN A 125 -4.238 1.691 -8.608 1.00 50.13 N ATOM 1838 CA ASN A 125 -5.270 2.721 -8.590 1.00 61.31 C ATOM 1839 C ASN A 125 -4.659 4.106 -8.778 1.00 34.30 C ATOM 1840 O ASN A 125 -3.511 4.346 -8.400 1.00 43.53 O ATOM 1841 CB ASN A 125 -6.049 2.669 -7.273 1.00 1.42 C ATOM 1842 CG ASN A 125 -7.544 2.819 -7.480 1.00 21.23 C ATOM 1843 OD1 ASN A 125 -8.115 2.242 -8.406 1.00 74.52 O ATOM 1844 ND2 ASN A 125 -8.185 3.598 -6.616 1.00 40.55 N ATOM 0 H ASN A 125 -3.290 2.046 -8.734 1.00 50.13 H new ATOM 0 HA ASN A 125 -5.954 2.530 -9.417 1.00 61.31 H new ATOM 0 HB2 ASN A 125 -5.847 1.722 -6.772 1.00 1.42 H new ATOM 0 HB3 ASN A 125 -5.695 3.461 -6.613 1.00 1.42 H new ATOM 0 HD21 ASN A 125 -9.191 3.738 -6.705 1.00 40.55 H new ATOM 0 HD22 ASN A 125 -7.671 4.056 -5.864 1.00 40.55 H new ATOM 1850 N ILE A 126 -5.434 5.015 -9.360 1.00 60.11 N ATOM 1851 CA ILE A 126 -4.970 6.376 -9.596 1.00 0.51 C ATOM 1852 C ILE A 126 -5.512 7.333 -8.539 1.00 21.41 C ATOM 1853 O ILE A 126 -6.622 7.156 -8.036 1.00 63.22 O ATOM 1854 CB ILE A 126 -5.388 6.880 -10.990 1.00 65.41 C ATOM 1855 CG1 ILE A 126 -4.475 8.023 -11.437 1.00 44.20 C ATOM 1856 CG2 ILE A 126 -6.841 7.330 -10.977 1.00 4.01 C ATOM 1857 CD1 ILE A 126 -3.271 7.561 -12.228 1.00 44.44 C ATOM 0 H ILE A 126 -6.386 4.833 -9.677 1.00 60.11 H new ATOM 0 HA ILE A 126 -3.882 6.352 -9.538 1.00 0.51 H new ATOM 0 HB ILE A 126 -5.288 6.060 -11.702 1.00 65.41 H new ATOM 0 HG12 ILE A 126 -5.051 8.722 -12.043 1.00 44.20 H new ATOM 0 HG13 ILE A 126 -4.134 8.570 -10.558 1.00 44.20 H new ATOM 0 HG21 ILE A 126 -7.121 7.683 -11.969 1.00 4.01 H new ATOM 0 HG22 ILE A 126 -7.479 6.492 -10.697 1.00 4.01 H new ATOM 0 HG23 ILE A 126 -6.965 8.138 -10.256 1.00 4.01 H new ATOM 0 HD11 ILE A 126 -2.669 8.424 -12.512 1.00 44.44 H new ATOM 0 HD12 ILE A 126 -2.672 6.886 -11.617 1.00 44.44 H new ATOM 0 HD13 ILE A 126 -3.604 7.040 -13.126 1.00 44.44 H new ATOM 1868 N PHE A 127 -4.721 8.347 -8.206 1.00 42.53 N ATOM 1869 CA PHE A 127 -5.122 9.334 -7.210 1.00 30.32 C ATOM 1870 C PHE A 127 -5.633 10.606 -7.878 1.00 71.32 C ATOM 1871 O PHE A 127 -4.863 11.527 -8.151 1.00 61.34 O ATOM 1872 CB PHE A 127 -3.946 9.664 -6.288 1.00 72.04 C ATOM 1873 CG PHE A 127 -4.224 9.386 -4.838 1.00 53.44 C ATOM 1874 CD1 PHE A 127 -4.836 8.205 -4.450 1.00 71.22 C ATOM 1875 CD2 PHE A 127 -3.874 10.307 -3.863 1.00 11.43 C ATOM 1876 CE1 PHE A 127 -5.093 7.947 -3.117 1.00 11.03 C ATOM 1877 CE2 PHE A 127 -4.128 10.053 -2.528 1.00 3.24 C ATOM 1878 CZ PHE A 127 -4.739 8.872 -2.155 1.00 14.12 C ATOM 0 H PHE A 127 -3.799 8.507 -8.611 1.00 42.53 H new ATOM 0 HA PHE A 127 -5.931 8.908 -6.617 1.00 30.32 H new ATOM 0 HB2 PHE A 127 -3.077 9.086 -6.600 1.00 72.04 H new ATOM 0 HB3 PHE A 127 -3.687 10.716 -6.405 1.00 72.04 H new ATOM 0 HD1 PHE A 127 -5.115 7.478 -5.198 1.00 71.22 H new ATOM 0 HD2 PHE A 127 -3.398 11.233 -4.149 1.00 11.43 H new ATOM 0 HE1 PHE A 127 -5.570 7.022 -2.828 1.00 11.03 H new ATOM 0 HE2 PHE A 127 -3.849 10.778 -1.777 1.00 3.24 H new ATOM 0 HZ PHE A 127 -4.940 8.672 -1.113 1.00 14.12 H new ATOM 1887 N GLU A 128 -6.936 10.649 -8.137 1.00 51.21 N ATOM 1888 CA GLU A 128 -7.550 11.808 -8.775 1.00 12.34 C ATOM 1889 C GLU A 128 -7.122 13.099 -8.083 1.00 74.34 C ATOM 1890 O GLU A 128 -7.020 14.151 -8.714 1.00 43.34 O ATOM 1891 CB GLU A 128 -9.074 11.683 -8.751 1.00 53.52 C ATOM 1892 CG GLU A 128 -9.792 12.875 -9.364 1.00 11.13 C ATOM 1893 CD GLU A 128 -9.508 13.028 -10.846 1.00 10.14 C ATOM 1894 OE1 GLU A 128 -10.078 12.253 -11.642 1.00 72.14 O ATOM 1895 OE2 GLU A 128 -8.714 13.922 -11.209 1.00 21.01 O ATOM 0 H GLU A 128 -7.587 9.895 -7.915 1.00 51.21 H new ATOM 0 HA GLU A 128 -7.213 11.843 -9.811 1.00 12.34 H new ATOM 0 HB2 GLU A 128 -9.365 10.779 -9.287 1.00 53.52 H new ATOM 0 HB3 GLU A 128 -9.404 11.562 -7.719 1.00 53.52 H new ATOM 0 HG2 GLU A 128 -10.866 12.765 -9.213 1.00 11.13 H new ATOM 0 HG3 GLU A 128 -9.489 13.784 -8.844 1.00 11.13 H new ATOM 1900 N LYS A 129 -6.875 13.012 -6.780 1.00 25.41 N ATOM 1901 CA LYS A 129 -6.459 14.171 -6.000 1.00 23.04 C ATOM 1902 C LYS A 129 -5.077 13.950 -5.393 1.00 30.23 C ATOM 1903 O LYS A 129 -4.784 12.900 -4.821 1.00 70.12 O ATOM 1904 CB LYS A 129 -7.474 14.457 -4.892 1.00 31.33 C ATOM 1905 CG LYS A 129 -8.502 15.511 -5.266 1.00 64.31 C ATOM 1906 CD LYS A 129 -8.455 16.697 -4.319 1.00 52.54 C ATOM 1907 CE LYS A 129 -9.167 16.395 -3.010 1.00 24.42 C ATOM 1908 NZ LYS A 129 -9.323 17.613 -2.168 1.00 45.12 N ATOM 0 H LYS A 129 -6.956 12.149 -6.242 1.00 25.41 H new ATOM 0 HA LYS A 129 -6.410 15.030 -6.670 1.00 23.04 H new ATOM 0 HB2 LYS A 129 -7.991 13.532 -4.637 1.00 31.33 H new ATOM 0 HB3 LYS A 129 -6.942 14.782 -3.998 1.00 31.33 H new ATOM 0 HG2 LYS A 129 -8.321 15.851 -6.286 1.00 64.31 H new ATOM 0 HG3 LYS A 129 -9.499 15.070 -5.249 1.00 64.31 H new ATOM 0 HD2 LYS A 129 -7.417 16.961 -4.117 1.00 52.54 H new ATOM 0 HD3 LYS A 129 -8.917 17.562 -4.795 1.00 52.54 H new ATOM 0 HE2 LYS A 129 -10.149 15.971 -3.220 1.00 24.42 H new ATOM 0 HE3 LYS A 129 -8.606 15.641 -2.457 1.00 24.42 H new ATOM 0 HZ1 LYS A 129 -9.813 17.364 -1.285 1.00 45.12 H new ATOM 0 HZ2 LYS A 129 -8.385 18.004 -1.945 1.00 45.12 H new ATOM 0 HZ3 LYS A 129 -9.880 18.323 -2.685 1.00 45.12 H new ATOM 1918 N PRO A 130 -4.206 14.962 -5.518 1.00 12.23 N ATOM 1919 CA PRO A 130 -2.841 14.903 -4.987 1.00 71.50 C ATOM 1920 C PRO A 130 -2.811 14.937 -3.462 1.00 64.32 C ATOM 1921 O PRO A 130 -3.641 15.589 -2.829 1.00 61.01 O ATOM 1922 CB PRO A 130 -2.181 16.159 -5.562 1.00 62.34 C ATOM 1923 CG PRO A 130 -3.309 17.100 -5.810 1.00 44.04 C ATOM 1924 CD PRO A 130 -4.486 16.244 -6.188 1.00 44.04 C ATOM 0 HA PRO A 130 -2.337 13.976 -5.262 1.00 71.50 H new ATOM 0 HB2 PRO A 130 -1.459 16.582 -4.863 1.00 62.34 H new ATOM 0 HB3 PRO A 130 -1.641 15.937 -6.483 1.00 62.34 H new ATOM 0 HG2 PRO A 130 -3.526 17.692 -4.921 1.00 44.04 H new ATOM 0 HG3 PRO A 130 -3.064 17.801 -6.608 1.00 44.04 H new ATOM 0 HD2 PRO A 130 -5.425 16.679 -5.846 1.00 44.04 H new ATOM 0 HD3 PRO A 130 -4.565 16.124 -7.268 1.00 44.04 H new ATOM 1929 N PHE A 131 -1.850 14.229 -2.878 1.00 0.24 N ATOM 1930 CA PHE A 131 -1.712 14.178 -1.428 1.00 23.45 C ATOM 1931 C PHE A 131 -0.259 13.934 -1.027 1.00 50.25 C ATOM 1932 O PHE A 131 0.316 12.892 -1.340 1.00 61.53 O ATOM 1933 CB PHE A 131 -2.603 13.077 -0.848 1.00 1.40 C ATOM 1934 CG PHE A 131 -3.092 13.371 0.541 1.00 35.00 C ATOM 1935 CD1 PHE A 131 -2.296 13.100 1.642 1.00 12.23 C ATOM 1936 CD2 PHE A 131 -4.348 13.918 0.746 1.00 51.04 C ATOM 1937 CE1 PHE A 131 -2.742 13.369 2.922 1.00 74.25 C ATOM 1938 CE2 PHE A 131 -4.800 14.190 2.024 1.00 43.35 C ATOM 1939 CZ PHE A 131 -3.997 13.915 3.113 1.00 64.32 C ATOM 0 H PHE A 131 -1.155 13.683 -3.387 1.00 0.24 H new ATOM 0 HA PHE A 131 -2.025 15.141 -1.025 1.00 23.45 H new ATOM 0 HB2 PHE A 131 -3.462 12.932 -1.504 1.00 1.40 H new ATOM 0 HB3 PHE A 131 -2.048 12.139 -0.838 1.00 1.40 H new ATOM 0 HD1 PHE A 131 -1.314 12.673 1.498 1.00 12.23 H new ATOM 0 HD2 PHE A 131 -4.981 14.134 -0.102 1.00 51.04 H new ATOM 0 HE1 PHE A 131 -2.111 13.153 3.771 1.00 74.25 H new ATOM 0 HE2 PHE A 131 -5.781 14.617 2.170 1.00 43.35 H new ATOM 0 HZ PHE A 131 -4.349 14.126 4.112 1.00 64.32 H new ATOM 1948 N MET A 132 0.327 14.905 -0.334 1.00 13.05 N ATOM 1949 CA MET A 132 1.712 14.796 0.110 1.00 51.04 C ATOM 1950 C MET A 132 1.865 13.688 1.147 1.00 11.53 C ATOM 1951 O MET A 132 1.044 13.555 2.053 1.00 71.02 O ATOM 1952 CB MET A 132 2.188 16.127 0.695 1.00 51.21 C ATOM 1953 CG MET A 132 1.244 16.707 1.736 1.00 44.21 C ATOM 1954 SD MET A 132 0.307 18.117 1.114 1.00 23.44 S ATOM 1955 CE MET A 132 1.634 19.226 0.649 1.00 71.34 C ATOM 0 H MET A 132 -0.135 15.775 -0.068 1.00 13.05 H new ATOM 0 HA MET A 132 2.326 14.547 -0.755 1.00 51.04 H new ATOM 0 HB2 MET A 132 3.170 15.985 1.146 1.00 51.21 H new ATOM 0 HB3 MET A 132 2.310 16.847 -0.114 1.00 51.21 H new ATOM 0 HG2 MET A 132 0.552 15.932 2.065 1.00 44.21 H new ATOM 0 HG3 MET A 132 1.818 17.014 2.610 1.00 44.21 H new ATOM 0 HE1 MET A 132 1.326 20.256 0.825 1.00 71.34 H new ATOM 0 HE2 MET A 132 2.519 19.005 1.246 1.00 71.34 H new ATOM 0 HE3 MET A 132 1.866 19.092 -0.408 1.00 71.34 H new ATOM 1963 N ALA A 133 2.923 12.895 1.006 1.00 12.42 N ATOM 1964 CA ALA A 133 3.184 11.800 1.931 1.00 34.31 C ATOM 1965 C ALA A 133 4.681 11.614 2.153 1.00 34.23 C ATOM 1966 O ALA A 133 5.487 11.866 1.257 1.00 21.35 O ATOM 1967 CB ALA A 133 2.562 10.511 1.413 1.00 72.32 C ATOM 0 H ALA A 133 3.612 12.991 0.260 1.00 12.42 H new ATOM 0 HA ALA A 133 2.729 12.051 2.889 1.00 34.31 H new ATOM 0 HB1 ALA A 133 2.765 9.702 2.114 1.00 72.32 H new ATOM 0 HB2 ALA A 133 1.485 10.642 1.312 1.00 72.32 H new ATOM 0 HB3 ALA A 133 2.990 10.265 0.441 1.00 72.32 H new ATOM 1973 N ARG A 134 5.047 11.173 3.353 1.00 52.10 N ATOM 1974 CA ARG A 134 6.448 10.956 3.693 1.00 43.42 C ATOM 1975 C ARG A 134 6.705 9.490 4.028 1.00 20.23 C ATOM 1976 O ARG A 134 7.848 9.033 4.025 1.00 13.22 O ATOM 1977 CB ARG A 134 6.851 11.840 4.875 1.00 20.13 C ATOM 1978 CG ARG A 134 6.274 11.378 6.204 1.00 53.33 C ATOM 1979 CD ARG A 134 7.371 11.089 7.217 1.00 51.22 C ATOM 1980 NE ARG A 134 8.180 9.936 6.833 1.00 70.55 N ATOM 1981 CZ ARG A 134 9.405 9.711 7.295 1.00 41.11 C ATOM 1982 NH1 ARG A 134 9.959 10.556 8.152 1.00 75.41 N ATOM 1983 NH2 ARG A 134 10.078 8.638 6.899 1.00 1.01 N ATOM 0 H ARG A 134 4.392 10.959 4.105 1.00 52.10 H new ATOM 0 HA ARG A 134 7.052 11.224 2.826 1.00 43.42 H new ATOM 0 HB2 ARG A 134 7.938 11.861 4.948 1.00 20.13 H new ATOM 0 HB3 ARG A 134 6.524 12.862 4.682 1.00 20.13 H new ATOM 0 HG2 ARG A 134 5.606 12.144 6.598 1.00 53.33 H new ATOM 0 HG3 ARG A 134 5.674 10.481 6.049 1.00 53.33 H new ATOM 0 HD2 ARG A 134 8.012 11.965 7.317 1.00 51.22 H new ATOM 0 HD3 ARG A 134 6.924 10.909 8.194 1.00 51.22 H new ATOM 0 HE ARG A 134 7.783 9.267 6.174 1.00 70.55 H new ATOM 0 HH11 ARG A 134 9.445 11.382 8.459 1.00 75.41 H new ATOM 0 HH12 ARG A 134 10.900 10.381 8.505 1.00 75.41 H new ATOM 0 HH21 ARG A 134 9.655 7.985 6.239 1.00 1.01 H new ATOM 0 HH22 ARG A 134 11.019 8.466 7.254 1.00 1.01 H new ATOM 1994 N TYR A 135 5.635 8.759 4.318 1.00 23.31 N ATOM 1995 CA TYR A 135 5.745 7.345 4.658 1.00 54.00 C ATOM 1996 C TYR A 135 4.382 6.663 4.597 1.00 65.22 C ATOM 1997 O TYR A 135 3.426 7.099 5.240 1.00 22.30 O ATOM 1998 CB TYR A 135 6.348 7.181 6.055 1.00 40.14 C ATOM 1999 CG TYR A 135 6.040 5.846 6.693 1.00 20.44 C ATOM 2000 CD1 TYR A 135 4.906 5.672 7.476 1.00 24.41 C ATOM 2001 CD2 TYR A 135 6.885 4.757 6.514 1.00 5.20 C ATOM 2002 CE1 TYR A 135 4.622 4.453 8.063 1.00 53.35 C ATOM 2003 CE2 TYR A 135 6.608 3.534 7.095 1.00 5.20 C ATOM 2004 CZ TYR A 135 5.476 3.388 7.869 1.00 40.23 C ATOM 2005 OH TYR A 135 5.196 2.173 8.450 1.00 64.21 O ATOM 0 H TYR A 135 4.682 9.122 4.325 1.00 23.31 H new ATOM 0 HA TYR A 135 6.401 6.871 3.928 1.00 54.00 H new ATOM 0 HB2 TYR A 135 7.429 7.303 5.992 1.00 40.14 H new ATOM 0 HB3 TYR A 135 5.974 7.977 6.699 1.00 40.14 H new ATOM 0 HD1 TYR A 135 4.234 6.504 7.629 1.00 24.41 H new ATOM 0 HD2 TYR A 135 7.774 4.869 5.910 1.00 5.20 H new ATOM 0 HE1 TYR A 135 3.736 4.336 8.670 1.00 53.35 H new ATOM 0 HE2 TYR A 135 7.274 2.697 6.944 1.00 5.20 H new ATOM 0 HH TYR A 135 6.009 1.813 8.862 1.00 64.21 H new ATOM 2014 N VAL A 136 4.300 5.588 3.819 1.00 3.03 N ATOM 2015 CA VAL A 136 3.056 4.842 3.674 1.00 74.24 C ATOM 2016 C VAL A 136 3.219 3.403 4.149 1.00 21.41 C ATOM 2017 O VAL A 136 4.257 2.780 3.930 1.00 2.42 O ATOM 2018 CB VAL A 136 2.571 4.837 2.211 1.00 13.15 C ATOM 2019 CG1 VAL A 136 2.660 6.233 1.615 1.00 41.31 C ATOM 2020 CG2 VAL A 136 3.377 3.844 1.388 1.00 1.14 C ATOM 0 H VAL A 136 5.081 5.214 3.279 1.00 3.03 H new ATOM 0 HA VAL A 136 2.313 5.344 4.294 1.00 74.24 H new ATOM 0 HB VAL A 136 1.526 4.527 2.192 1.00 13.15 H new ATOM 0 HG11 VAL A 136 2.314 6.210 0.582 1.00 41.31 H new ATOM 0 HG12 VAL A 136 2.036 6.915 2.192 1.00 41.31 H new ATOM 0 HG13 VAL A 136 3.694 6.575 1.643 1.00 41.31 H new ATOM 0 HG21 VAL A 136 3.022 3.853 0.357 1.00 1.14 H new ATOM 0 HG22 VAL A 136 4.431 4.123 1.411 1.00 1.14 H new ATOM 0 HG23 VAL A 136 3.257 2.844 1.805 1.00 1.14 H new ATOM 2030 N ARG A 137 2.185 2.880 4.799 1.00 32.42 N ATOM 2031 CA ARG A 137 2.214 1.513 5.306 1.00 73.44 C ATOM 2032 C ARG A 137 0.998 0.728 4.822 1.00 22.21 C ATOM 2033 O ARG A 137 -0.102 1.270 4.713 1.00 11.03 O ATOM 2034 CB ARG A 137 2.257 1.514 6.835 1.00 75.10 C ATOM 2035 CG ARG A 137 2.137 0.129 7.450 1.00 43.41 C ATOM 2036 CD ARG A 137 0.692 -0.214 7.774 1.00 13.12 C ATOM 2037 NE ARG A 137 0.421 -0.143 9.207 1.00 23.10 N ATOM 2038 CZ ARG A 137 -0.708 -0.568 9.764 1.00 21.32 C ATOM 2039 NH1 ARG A 137 -1.665 -1.093 9.011 1.00 20.23 N ATOM 2040 NH2 ARG A 137 -0.881 -0.469 11.076 1.00 1.24 N ATOM 0 H ARG A 137 1.317 3.382 4.987 1.00 32.42 H new ATOM 0 HA ARG A 137 3.113 1.030 4.924 1.00 73.44 H new ATOM 0 HB2 ARG A 137 3.192 1.968 7.163 1.00 75.10 H new ATOM 0 HB3 ARG A 137 1.449 2.141 7.212 1.00 75.10 H new ATOM 0 HG2 ARG A 137 2.542 -0.612 6.761 1.00 43.41 H new ATOM 0 HG3 ARG A 137 2.736 0.080 8.359 1.00 43.41 H new ATOM 0 HD2 ARG A 137 0.029 0.471 7.245 1.00 13.12 H new ATOM 0 HD3 ARG A 137 0.468 -1.217 7.412 1.00 13.12 H new ATOM 0 HE ARG A 137 1.138 0.255 9.814 1.00 23.10 H new ATOM 0 HH11 ARG A 137 -1.535 -1.171 8.002 1.00 20.23 H new ATOM 0 HH12 ARG A 137 -2.531 -1.419 9.440 1.00 20.23 H new ATOM 0 HH21 ARG A 137 -0.147 -0.066 11.658 1.00 1.24 H new ATOM 0 HH22 ARG A 137 -1.748 -0.796 11.502 1.00 1.24 H new ATOM 2051 N VAL A 138 1.204 -0.553 4.532 1.00 34.24 N ATOM 2052 CA VAL A 138 0.126 -1.413 4.060 1.00 43.11 C ATOM 2053 C VAL A 138 0.095 -2.729 4.830 1.00 44.41 C ATOM 2054 O VAL A 138 1.128 -3.212 5.297 1.00 41.31 O ATOM 2055 CB VAL A 138 0.266 -1.715 2.556 1.00 12.22 C ATOM 2056 CG1 VAL A 138 0.821 -0.506 1.818 1.00 34.05 C ATOM 2057 CG2 VAL A 138 1.149 -2.934 2.337 1.00 14.35 C ATOM 0 H VAL A 138 2.108 -1.018 4.616 1.00 34.24 H new ATOM 0 HA VAL A 138 -0.806 -0.874 4.230 1.00 43.11 H new ATOM 0 HB VAL A 138 -0.723 -1.934 2.154 1.00 12.22 H new ATOM 0 HG11 VAL A 138 0.913 -0.738 0.757 1.00 34.05 H new ATOM 0 HG12 VAL A 138 0.146 0.340 1.947 1.00 34.05 H new ATOM 0 HG13 VAL A 138 1.802 -0.253 2.220 1.00 34.05 H new ATOM 0 HG21 VAL A 138 1.237 -3.133 1.269 1.00 14.35 H new ATOM 0 HG22 VAL A 138 2.139 -2.746 2.754 1.00 14.35 H new ATOM 0 HG23 VAL A 138 0.705 -3.798 2.831 1.00 14.35 H new ATOM 2067 N LEU A 139 -1.094 -3.305 4.958 1.00 71.23 N ATOM 2068 CA LEU A 139 -1.261 -4.566 5.672 1.00 70.34 C ATOM 2069 C LEU A 139 -2.163 -5.518 4.892 1.00 1.21 C ATOM 2070 O LEU A 139 -3.390 -5.415 4.922 1.00 32.21 O ATOM 2071 CB LEU A 139 -1.847 -4.315 7.063 1.00 1.41 C ATOM 2072 CG LEU A 139 -1.803 -5.496 8.033 1.00 25.11 C ATOM 2073 CD1 LEU A 139 -1.521 -5.014 9.448 1.00 4.40 C ATOM 2074 CD2 LEU A 139 -3.109 -6.275 7.983 1.00 23.54 C ATOM 0 H LEU A 139 -1.958 -2.919 4.577 1.00 71.23 H new ATOM 0 HA LEU A 139 -0.279 -5.028 5.777 1.00 70.34 H new ATOM 0 HB2 LEU A 139 -1.313 -3.479 7.515 1.00 1.41 H new ATOM 0 HB3 LEU A 139 -2.885 -4.004 6.947 1.00 1.41 H new ATOM 0 HG LEU A 139 -0.994 -6.161 7.730 1.00 25.11 H new ATOM 0 HD11 LEU A 139 -1.493 -5.868 10.125 1.00 4.40 H new ATOM 0 HD12 LEU A 139 -0.560 -4.500 9.473 1.00 4.40 H new ATOM 0 HD13 LEU A 139 -2.307 -4.328 9.762 1.00 4.40 H new ATOM 0 HD21 LEU A 139 -3.060 -7.112 8.680 1.00 23.54 H new ATOM 0 HD22 LEU A 139 -3.934 -5.620 8.261 1.00 23.54 H new ATOM 0 HD23 LEU A 139 -3.269 -6.652 6.973 1.00 23.54 H new ATOM 2085 N PRO A 140 -1.544 -6.470 4.178 1.00 35.15 N ATOM 2086 CA PRO A 140 -2.271 -7.460 3.379 1.00 74.41 C ATOM 2087 C PRO A 140 -3.024 -8.464 4.246 1.00 35.32 C ATOM 2088 O PRO A 140 -2.547 -8.863 5.308 1.00 35.05 O ATOM 2089 CB PRO A 140 -1.163 -8.161 2.589 1.00 33.41 C ATOM 2090 CG PRO A 140 0.062 -7.986 3.417 1.00 35.01 C ATOM 2091 CD PRO A 140 -0.084 -6.651 4.096 1.00 23.54 C ATOM 0 HA PRO A 140 -3.033 -6.998 2.752 1.00 74.41 H new ATOM 0 HB2 PRO A 140 -1.391 -9.216 2.438 1.00 33.41 H new ATOM 0 HB3 PRO A 140 -1.040 -7.717 1.601 1.00 33.41 H new ATOM 0 HG2 PRO A 140 0.156 -8.788 4.149 1.00 35.01 H new ATOM 0 HG3 PRO A 140 0.959 -8.013 2.798 1.00 35.01 H new ATOM 0 HD2 PRO A 140 0.378 -6.649 5.083 1.00 23.54 H new ATOM 0 HD3 PRO A 140 0.389 -5.854 3.522 1.00 23.54 H new ATOM 2096 N VAL A 141 -4.204 -8.868 3.786 1.00 10.12 N ATOM 2097 CA VAL A 141 -5.023 -9.825 4.518 1.00 24.54 C ATOM 2098 C VAL A 141 -5.307 -11.064 3.676 1.00 2.44 C ATOM 2099 O VAL A 141 -5.186 -12.193 4.152 1.00 11.20 O ATOM 2100 CB VAL A 141 -6.360 -9.201 4.959 1.00 33.03 C ATOM 2101 CG1 VAL A 141 -6.140 -8.217 6.098 1.00 62.12 C ATOM 2102 CG2 VAL A 141 -7.043 -8.522 3.781 1.00 31.21 C ATOM 0 H VAL A 141 -4.614 -8.547 2.909 1.00 10.12 H new ATOM 0 HA VAL A 141 -4.456 -10.112 5.403 1.00 24.54 H new ATOM 0 HB VAL A 141 -7.012 -9.996 5.320 1.00 33.03 H new ATOM 0 HG11 VAL A 141 -7.096 -7.786 6.396 1.00 62.12 H new ATOM 0 HG12 VAL A 141 -5.695 -8.737 6.947 1.00 62.12 H new ATOM 0 HG13 VAL A 141 -5.471 -7.422 5.768 1.00 62.12 H new ATOM 0 HG21 VAL A 141 -7.987 -8.086 4.109 1.00 31.21 H new ATOM 0 HG22 VAL A 141 -6.397 -7.736 3.389 1.00 31.21 H new ATOM 0 HG23 VAL A 141 -7.235 -9.257 2.999 1.00 31.21 H new ATOM 2112 N SER A 142 -5.683 -10.845 2.420 1.00 41.42 N ATOM 2113 CA SER A 142 -5.987 -11.944 1.510 1.00 0.20 C ATOM 2114 C SER A 142 -5.037 -11.939 0.316 1.00 53.42 C ATOM 2115 O SER A 142 -5.008 -10.987 -0.463 1.00 63.13 O ATOM 2116 CB SER A 142 -7.434 -11.846 1.025 1.00 73.45 C ATOM 2117 OG SER A 142 -8.283 -11.355 2.048 1.00 74.11 O ATOM 0 H SER A 142 -5.784 -9.917 2.009 1.00 41.42 H new ATOM 0 HA SER A 142 -5.856 -12.880 2.053 1.00 0.20 H new ATOM 0 HB2 SER A 142 -7.486 -11.188 0.158 1.00 73.45 H new ATOM 0 HB3 SER A 142 -7.780 -12.828 0.701 1.00 73.45 H new ATOM 0 HG SER A 142 -9.202 -11.300 1.712 1.00 74.11 H new ATOM 2122 N TRP A 143 -4.263 -13.008 0.181 1.00 25.11 N ATOM 2123 CA TRP A 143 -3.311 -13.129 -0.918 1.00 53.14 C ATOM 2124 C TRP A 143 -3.513 -14.438 -1.672 1.00 3.22 C ATOM 2125 O TRP A 143 -4.356 -15.256 -1.302 1.00 62.44 O ATOM 2126 CB TRP A 143 -1.877 -13.046 -0.390 1.00 63.22 C ATOM 2127 CG TRP A 143 -1.506 -14.191 0.503 1.00 65.55 C ATOM 2128 CD1 TRP A 143 -0.732 -15.268 0.176 1.00 74.13 C ATOM 2129 CD2 TRP A 143 -1.895 -14.375 1.868 1.00 53.01 C ATOM 2130 NE1 TRP A 143 -0.616 -16.109 1.256 1.00 72.22 N ATOM 2131 CE2 TRP A 143 -1.320 -15.584 2.307 1.00 54.23 C ATOM 2132 CE3 TRP A 143 -2.671 -13.634 2.764 1.00 51.04 C ATOM 2133 CZ2 TRP A 143 -1.498 -16.066 3.600 1.00 73.53 C ATOM 2134 CZ3 TRP A 143 -2.848 -14.115 4.048 1.00 52.01 C ATOM 2135 CH2 TRP A 143 -2.263 -15.321 4.456 1.00 74.42 C ATOM 0 H TRP A 143 -4.275 -13.804 0.818 1.00 25.11 H new ATOM 0 HA TRP A 143 -3.485 -12.304 -1.608 1.00 53.14 H new ATOM 0 HB2 TRP A 143 -1.188 -13.015 -1.234 1.00 63.22 H new ATOM 0 HB3 TRP A 143 -1.753 -12.112 0.158 1.00 63.22 H new ATOM 0 HD1 TRP A 143 -0.278 -15.434 -0.790 1.00 74.13 H new ATOM 0 HE1 TRP A 143 -0.091 -16.983 1.273 1.00 72.22 H new ATOM 0 HE3 TRP A 143 -3.124 -12.702 2.459 1.00 51.04 H new ATOM 0 HZ2 TRP A 143 -1.048 -16.995 3.917 1.00 73.53 H new ATOM 0 HZ3 TRP A 143 -3.447 -13.552 4.748 1.00 52.01 H new ATOM 0 HH2 TRP A 143 -2.419 -15.670 5.466 1.00 74.42 H new ATOM 2145 N HIS A 144 -2.734 -14.633 -2.731 1.00 3.51 N ATOM 2146 CA HIS A 144 -2.827 -15.845 -3.537 1.00 52.04 C ATOM 2147 C HIS A 144 -1.446 -16.448 -3.774 1.00 34.31 C ATOM 2148 O HIS A 144 -0.522 -15.759 -4.201 1.00 50.51 O ATOM 2149 CB HIS A 144 -3.499 -15.541 -4.876 1.00 63.23 C ATOM 2150 CG HIS A 144 -4.996 -15.583 -4.819 1.00 33.53 C ATOM 2151 ND1 HIS A 144 -5.695 -16.555 -4.135 1.00 51.10 N ATOM 2152 CD2 HIS A 144 -5.926 -14.765 -5.363 1.00 42.40 C ATOM 2153 CE1 HIS A 144 -6.992 -16.333 -4.263 1.00 3.25 C ATOM 2154 NE2 HIS A 144 -7.158 -15.252 -5.003 1.00 5.11 N ATOM 0 H HIS A 144 -2.031 -13.967 -3.051 1.00 3.51 H new ATOM 0 HA HIS A 144 -3.431 -16.569 -2.991 1.00 52.04 H new ATOM 0 HB2 HIS A 144 -3.184 -14.554 -5.215 1.00 63.23 H new ATOM 0 HB3 HIS A 144 -3.152 -16.259 -5.619 1.00 63.23 H new ATOM 0 HD2 HIS A 144 -5.735 -13.891 -5.968 1.00 42.40 H new ATOM 0 HE1 HIS A 144 -7.781 -16.933 -3.835 1.00 3.25 H new ATOM 0 HE2 HIS A 144 -8.056 -14.845 -5.265 1.00 5.11 H new ATOM 2161 N ASN A 145 -1.313 -17.740 -3.490 1.00 72.42 N ATOM 2162 CA ASN A 145 -0.044 -18.436 -3.670 1.00 43.00 C ATOM 2163 C ASN A 145 0.941 -18.065 -2.566 1.00 42.53 C ATOM 2164 O ASN A 145 1.374 -18.920 -1.793 1.00 43.43 O ATOM 2165 CB ASN A 145 0.554 -18.102 -5.038 1.00 34.02 C ATOM 2166 CG ASN A 145 1.151 -19.318 -5.721 1.00 54.11 C ATOM 2167 OD1 ASN A 145 2.183 -19.837 -5.296 1.00 21.15 O ATOM 2168 ND2 ASN A 145 0.502 -19.776 -6.784 1.00 43.51 N ATOM 0 H ASN A 145 -2.068 -18.326 -3.134 1.00 72.42 H new ATOM 0 HA ASN A 145 -0.234 -19.508 -3.616 1.00 43.00 H new ATOM 0 HB2 ASN A 145 -0.220 -17.674 -5.675 1.00 34.02 H new ATOM 0 HB3 ASN A 145 1.325 -17.341 -4.918 1.00 34.02 H new ATOM 0 HD21 ASN A 145 0.855 -20.591 -7.285 1.00 43.51 H new ATOM 0 HD22 ASN A 145 -0.350 -19.313 -7.100 1.00 43.51 H new ATOM 2174 N ARG A 146 1.291 -16.784 -2.499 1.00 70.53 N ATOM 2175 CA ARG A 146 2.224 -16.300 -1.489 1.00 1.55 C ATOM 2176 C ARG A 146 2.407 -14.789 -1.598 1.00 43.40 C ATOM 2177 O ARG A 146 2.509 -14.244 -2.698 1.00 34.10 O ATOM 2178 CB ARG A 146 3.577 -16.999 -1.639 1.00 23.42 C ATOM 2179 CG ARG A 146 4.088 -17.620 -0.349 1.00 50.25 C ATOM 2180 CD ARG A 146 5.201 -16.788 0.268 1.00 2.44 C ATOM 2181 NE ARG A 146 6.513 -17.400 0.075 1.00 30.43 N ATOM 2182 CZ ARG A 146 6.887 -18.535 0.657 1.00 44.34 C ATOM 2183 NH1 ARG A 146 6.052 -19.178 1.462 1.00 54.34 N ATOM 2184 NH2 ARG A 146 8.097 -19.030 0.432 1.00 40.42 N ATOM 0 H ARG A 146 0.943 -16.064 -3.132 1.00 70.53 H new ATOM 0 HA ARG A 146 1.810 -16.529 -0.507 1.00 1.55 H new ATOM 0 HB2 ARG A 146 3.492 -17.777 -2.398 1.00 23.42 H new ATOM 0 HB3 ARG A 146 4.311 -16.279 -2.001 1.00 23.42 H new ATOM 0 HG2 ARG A 146 3.266 -17.714 0.361 1.00 50.25 H new ATOM 0 HG3 ARG A 146 4.453 -18.627 -0.549 1.00 50.25 H new ATOM 0 HD2 ARG A 146 5.197 -15.792 -0.175 1.00 2.44 H new ATOM 0 HD3 ARG A 146 5.012 -16.664 1.334 1.00 2.44 H new ATOM 0 HE ARG A 146 7.178 -16.931 -0.540 1.00 30.43 H new ATOM 0 HH11 ARG A 146 5.120 -18.802 1.636 1.00 54.34 H new ATOM 0 HH12 ARG A 146 6.342 -20.049 1.907 1.00 54.34 H new ATOM 0 HH21 ARG A 146 8.741 -18.540 -0.188 1.00 40.42 H new ATOM 0 HH22 ARG A 146 8.383 -19.901 0.879 1.00 40.42 H new ATOM 2195 N ILE A 147 2.446 -14.118 -0.452 1.00 62.20 N ATOM 2196 CA ILE A 147 2.616 -12.671 -0.419 1.00 31.50 C ATOM 2197 C ILE A 147 3.918 -12.255 -1.094 1.00 24.33 C ATOM 2198 O ILE A 147 4.980 -12.250 -0.471 1.00 1.14 O ATOM 2199 CB ILE A 147 2.606 -12.137 1.026 1.00 42.44 C ATOM 2200 CG1 ILE A 147 1.281 -12.481 1.712 1.00 2.44 C ATOM 2201 CG2 ILE A 147 2.838 -10.633 1.035 1.00 60.24 C ATOM 2202 CD1 ILE A 147 1.341 -13.745 2.539 1.00 24.25 C ATOM 0 H ILE A 147 2.362 -14.554 0.466 1.00 62.20 H new ATOM 0 HA ILE A 147 1.775 -12.241 -0.963 1.00 31.50 H new ATOM 0 HB ILE A 147 3.414 -12.614 1.580 1.00 42.44 H new ATOM 0 HG12 ILE A 147 0.986 -11.650 2.353 1.00 2.44 H new ATOM 0 HG13 ILE A 147 0.506 -12.589 0.954 1.00 2.44 H new ATOM 0 HG21 ILE A 147 2.828 -10.270 2.063 1.00 60.24 H new ATOM 0 HG22 ILE A 147 3.804 -10.411 0.581 1.00 60.24 H new ATOM 0 HG23 ILE A 147 2.048 -10.140 0.468 1.00 60.24 H new ATOM 0 HD11 ILE A 147 0.368 -13.928 2.996 1.00 24.25 H new ATOM 0 HD12 ILE A 147 1.605 -14.587 1.899 1.00 24.25 H new ATOM 0 HD13 ILE A 147 2.093 -13.634 3.320 1.00 24.25 H new ATOM 2213 N THR A 148 3.829 -11.904 -2.374 1.00 73.42 N ATOM 2214 CA THR A 148 5.000 -11.485 -3.134 1.00 62.43 C ATOM 2215 C THR A 148 4.643 -10.391 -4.133 1.00 52.33 C ATOM 2216 O THR A 148 4.076 -10.662 -5.192 1.00 23.15 O ATOM 2217 CB THR A 148 5.630 -12.669 -3.891 1.00 73.20 C ATOM 2218 OG1 THR A 148 5.218 -13.906 -3.297 1.00 50.55 O ATOM 2219 CG2 THR A 148 7.149 -12.574 -3.875 1.00 70.31 C ATOM 0 H THR A 148 2.958 -11.902 -2.905 1.00 73.42 H new ATOM 0 HA THR A 148 5.722 -11.096 -2.416 1.00 62.43 H new ATOM 0 HB THR A 148 5.290 -12.633 -4.926 1.00 73.20 H new ATOM 0 HG1 THR A 148 5.623 -14.654 -3.784 1.00 50.55 H new ATOM 0 HG21 THR A 148 7.572 -13.421 -4.416 1.00 70.31 H new ATOM 0 HG22 THR A 148 7.461 -11.646 -4.354 1.00 70.31 H new ATOM 0 HG23 THR A 148 7.504 -12.588 -2.844 1.00 70.31 H new ATOM 2227 N LEU A 149 4.978 -9.151 -3.790 1.00 50.14 N ATOM 2228 CA LEU A 149 4.694 -8.014 -4.658 1.00 73.32 C ATOM 2229 C LEU A 149 5.468 -6.779 -4.208 1.00 51.15 C ATOM 2230 O LEU A 149 6.334 -6.861 -3.338 1.00 13.22 O ATOM 2231 CB LEU A 149 3.194 -7.715 -4.664 1.00 42.24 C ATOM 2232 CG LEU A 149 2.572 -7.368 -3.311 1.00 34.32 C ATOM 2233 CD1 LEU A 149 2.812 -5.905 -2.973 1.00 31.01 C ATOM 2234 CD2 LEU A 149 1.082 -7.679 -3.313 1.00 35.44 C ATOM 0 H LEU A 149 5.446 -8.908 -2.917 1.00 50.14 H new ATOM 0 HA LEU A 149 5.012 -8.271 -5.669 1.00 73.32 H new ATOM 0 HB2 LEU A 149 3.012 -6.886 -5.348 1.00 42.24 H new ATOM 0 HB3 LEU A 149 2.673 -8.582 -5.069 1.00 42.24 H new ATOM 0 HG LEU A 149 3.050 -7.980 -2.546 1.00 34.32 H new ATOM 0 HD11 LEU A 149 2.362 -5.676 -2.007 1.00 31.01 H new ATOM 0 HD12 LEU A 149 3.884 -5.713 -2.929 1.00 31.01 H new ATOM 0 HD13 LEU A 149 2.362 -5.276 -3.741 1.00 31.01 H new ATOM 0 HD21 LEU A 149 0.656 -7.426 -2.342 1.00 35.44 H new ATOM 0 HD22 LEU A 149 0.589 -7.094 -4.089 1.00 35.44 H new ATOM 0 HD23 LEU A 149 0.932 -8.741 -3.509 1.00 35.44 H new ATOM 2245 N ARG A 150 5.147 -5.636 -4.806 1.00 13.14 N ATOM 2246 CA ARG A 150 5.812 -4.384 -4.466 1.00 13.12 C ATOM 2247 C ARG A 150 4.893 -3.193 -4.722 1.00 11.33 C ATOM 2248 O ARG A 150 4.357 -3.033 -5.819 1.00 42.44 O ATOM 2249 CB ARG A 150 7.101 -4.229 -5.277 1.00 22.14 C ATOM 2250 CG ARG A 150 6.881 -4.254 -6.780 1.00 1.34 C ATOM 2251 CD ARG A 150 6.805 -2.848 -7.355 1.00 60.25 C ATOM 2252 NE ARG A 150 7.608 -2.707 -8.566 1.00 61.11 N ATOM 2253 CZ ARG A 150 7.448 -1.723 -9.444 1.00 72.34 C ATOM 2254 NH1 ARG A 150 6.518 -0.799 -9.247 1.00 32.21 N ATOM 2255 NH2 ARG A 150 8.218 -1.662 -10.523 1.00 65.30 N ATOM 0 H ARG A 150 4.431 -5.551 -5.528 1.00 13.14 H new ATOM 0 HA ARG A 150 6.059 -4.410 -3.405 1.00 13.12 H new ATOM 0 HB2 ARG A 150 7.581 -3.289 -5.004 1.00 22.14 H new ATOM 0 HB3 ARG A 150 7.789 -5.029 -5.006 1.00 22.14 H new ATOM 0 HG2 ARG A 150 7.693 -4.801 -7.259 1.00 1.34 H new ATOM 0 HG3 ARG A 150 5.959 -4.791 -7.005 1.00 1.34 H new ATOM 0 HD2 ARG A 150 5.767 -2.604 -7.578 1.00 60.25 H new ATOM 0 HD3 ARG A 150 7.147 -2.132 -6.608 1.00 60.25 H new ATOM 0 HE ARG A 150 8.332 -3.402 -8.748 1.00 61.11 H new ATOM 0 HH11 ARG A 150 5.923 -0.842 -8.420 1.00 32.21 H new ATOM 0 HH12 ARG A 150 6.397 -0.045 -9.923 1.00 32.21 H new ATOM 0 HH21 ARG A 150 8.934 -2.371 -10.679 1.00 65.30 H new ATOM 0 HH22 ARG A 150 8.094 -0.906 -11.196 1.00 65.30 H new ATOM 2266 N LEU A 151 4.714 -2.361 -3.702 1.00 1.04 N ATOM 2267 CA LEU A 151 3.860 -1.184 -3.815 1.00 62.45 C ATOM 2268 C LEU A 151 4.684 0.062 -4.119 1.00 33.44 C ATOM 2269 O LEU A 151 5.617 0.392 -3.388 1.00 13.02 O ATOM 2270 CB LEU A 151 3.064 -0.981 -2.523 1.00 4.20 C ATOM 2271 CG LEU A 151 3.883 -0.921 -1.234 1.00 3.24 C ATOM 2272 CD1 LEU A 151 3.836 0.476 -0.636 1.00 42.03 C ATOM 2273 CD2 LEU A 151 3.377 -1.950 -0.232 1.00 52.15 C ATOM 0 H LEU A 151 5.149 -2.480 -2.787 1.00 1.04 H new ATOM 0 HA LEU A 151 3.167 -1.347 -4.640 1.00 62.45 H new ATOM 0 HB2 LEU A 151 2.495 -0.056 -2.612 1.00 4.20 H new ATOM 0 HB3 LEU A 151 2.341 -1.792 -2.434 1.00 4.20 H new ATOM 0 HG LEU A 151 4.920 -1.156 -1.474 1.00 3.24 H new ATOM 0 HD11 LEU A 151 4.425 0.499 0.281 1.00 42.03 H new ATOM 0 HD12 LEU A 151 4.247 1.191 -1.349 1.00 42.03 H new ATOM 0 HD13 LEU A 151 2.803 0.741 -0.411 1.00 42.03 H new ATOM 0 HD21 LEU A 151 3.972 -1.893 0.680 1.00 52.15 H new ATOM 0 HD22 LEU A 151 2.332 -1.746 0.003 1.00 52.15 H new ATOM 0 HD23 LEU A 151 3.464 -2.948 -0.660 1.00 52.15 H new ATOM 2284 N GLU A 152 4.332 0.749 -5.201 1.00 13.25 N ATOM 2285 CA GLU A 152 5.041 1.959 -5.599 1.00 54.34 C ATOM 2286 C GLU A 152 4.085 3.147 -5.683 1.00 20.34 C ATOM 2287 O GLU A 152 2.933 3.004 -6.096 1.00 4.43 O ATOM 2288 CB GLU A 152 5.732 1.752 -6.948 1.00 41.03 C ATOM 2289 CG GLU A 152 7.231 1.529 -6.836 1.00 52.14 C ATOM 2290 CD GLU A 152 8.032 2.773 -7.167 1.00 32.05 C ATOM 2291 OE1 GLU A 152 7.478 3.885 -7.042 1.00 73.14 O ATOM 2292 OE2 GLU A 152 9.212 2.636 -7.551 1.00 24.25 O ATOM 0 H GLU A 152 3.561 0.489 -5.817 1.00 13.25 H new ATOM 0 HA GLU A 152 5.795 2.173 -4.841 1.00 54.34 H new ATOM 0 HB2 GLU A 152 5.282 0.895 -7.449 1.00 41.03 H new ATOM 0 HB3 GLU A 152 5.549 2.622 -7.578 1.00 41.03 H new ATOM 0 HG2 GLU A 152 7.472 1.205 -5.823 1.00 52.14 H new ATOM 0 HG3 GLU A 152 7.526 0.722 -7.507 1.00 52.14 H new ATOM 2297 N LEU A 153 4.570 4.317 -5.286 1.00 55.41 N ATOM 2298 CA LEU A 153 3.760 5.531 -5.315 1.00 22.34 C ATOM 2299 C LEU A 153 4.321 6.536 -6.315 1.00 60.03 C ATOM 2300 O LEU A 153 5.534 6.725 -6.409 1.00 70.21 O ATOM 2301 CB LEU A 153 3.698 6.160 -3.921 1.00 2.45 C ATOM 2302 CG LEU A 153 5.043 6.526 -3.290 1.00 45.34 C ATOM 2303 CD1 LEU A 153 5.307 8.018 -3.425 1.00 41.32 C ATOM 2304 CD2 LEU A 153 5.077 6.106 -1.829 1.00 73.11 C ATOM 0 H LEU A 153 5.520 4.452 -4.940 1.00 55.41 H new ATOM 0 HA LEU A 153 2.752 5.259 -5.629 1.00 22.34 H new ATOM 0 HB2 LEU A 153 3.088 7.062 -3.978 1.00 2.45 H new ATOM 0 HB3 LEU A 153 3.183 5.468 -3.255 1.00 2.45 H new ATOM 0 HG LEU A 153 5.830 5.990 -3.820 1.00 45.34 H new ATOM 0 HD11 LEU A 153 6.268 8.260 -2.971 1.00 41.32 H new ATOM 0 HD12 LEU A 153 5.326 8.290 -4.480 1.00 41.32 H new ATOM 0 HD13 LEU A 153 4.517 8.574 -2.921 1.00 41.32 H new ATOM 0 HD21 LEU A 153 6.041 6.374 -1.396 1.00 73.11 H new ATOM 0 HD22 LEU A 153 4.281 6.615 -1.286 1.00 73.11 H new ATOM 0 HD23 LEU A 153 4.934 5.028 -1.757 1.00 73.11 H new ATOM 2315 N LEU A 154 3.429 7.181 -7.059 1.00 53.24 N ATOM 2316 CA LEU A 154 3.834 8.171 -8.052 1.00 14.30 C ATOM 2317 C LEU A 154 3.209 9.530 -7.753 1.00 22.05 C ATOM 2318 O LEU A 154 2.114 9.612 -7.200 1.00 55.43 O ATOM 2319 CB LEU A 154 3.432 7.709 -9.454 1.00 15.34 C ATOM 2320 CG LEU A 154 3.477 6.201 -9.703 1.00 71.34 C ATOM 2321 CD1 LEU A 154 2.074 5.614 -9.672 1.00 74.13 C ATOM 2322 CD2 LEU A 154 4.153 5.900 -11.032 1.00 71.30 C ATOM 0 H LEU A 154 2.421 7.037 -6.994 1.00 53.24 H new ATOM 0 HA LEU A 154 4.918 8.273 -8.006 1.00 14.30 H new ATOM 0 HB2 LEU A 154 2.420 8.060 -9.654 1.00 15.34 H new ATOM 0 HB3 LEU A 154 4.087 8.196 -10.177 1.00 15.34 H new ATOM 0 HG LEU A 154 4.061 5.738 -8.908 1.00 71.34 H new ATOM 0 HD11 LEU A 154 2.125 4.540 -9.851 1.00 74.13 H new ATOM 0 HD12 LEU A 154 1.624 5.798 -8.697 1.00 74.13 H new ATOM 0 HD13 LEU A 154 1.466 6.082 -10.446 1.00 74.13 H new ATOM 0 HD21 LEU A 154 4.176 4.822 -11.193 1.00 71.30 H new ATOM 0 HD22 LEU A 154 3.596 6.375 -11.839 1.00 71.30 H new ATOM 0 HD23 LEU A 154 5.172 6.287 -11.018 1.00 71.30 H new ATOM 2333 N GLY A 155 3.914 10.594 -8.126 1.00 55.22 N ATOM 2334 CA GLY A 155 3.413 11.936 -7.891 1.00 72.53 C ATOM 2335 C GLY A 155 3.229 12.719 -9.175 1.00 41.03 C ATOM 2336 O GLY A 155 3.343 12.166 -10.270 1.00 54.02 O ATOM 0 H GLY A 155 4.823 10.551 -8.587 1.00 55.22 H new ATOM 0 HA2 GLY A 155 2.460 11.878 -7.365 1.00 72.53 H new ATOM 0 HA3 GLY A 155 4.105 12.470 -7.239 1.00 72.53 H new ATOM 2340 N CYS A 156 2.943 14.010 -9.044 1.00 55.13 N ATOM 2341 CA CYS A 156 2.741 14.871 -10.202 1.00 12.40 C ATOM 2342 C CYS A 156 3.851 15.914 -10.305 1.00 72.35 C ATOM 2343 O CYS A 156 4.046 16.527 -11.355 1.00 1.21 O ATOM 2344 CB CYS A 156 1.380 15.566 -10.118 1.00 22.54 C ATOM 2345 SG CYS A 156 0.098 14.819 -11.175 1.00 24.30 S ATOM 0 H CYS A 156 2.846 14.483 -8.146 1.00 55.13 H new ATOM 0 HA CYS A 156 2.768 14.247 -11.095 1.00 12.40 H new ATOM 0 HB2 CYS A 156 1.038 15.549 -9.083 1.00 22.54 H new ATOM 0 HB3 CYS A 156 1.501 16.613 -10.396 1.00 22.54 H new ATOM 2349 N LEU A 157 4.573 16.111 -9.207 1.00 22.05 N ATOM 2350 CA LEU A 157 5.664 17.079 -9.173 1.00 64.21 C ATOM 2351 C LEU A 157 5.197 18.443 -9.672 1.00 63.40 C ATOM 2352 O LEU A 157 5.959 19.179 -10.297 1.00 13.21 O ATOM 2353 CB LEU A 157 6.837 16.586 -10.022 1.00 74.23 C ATOM 2354 CG LEU A 157 8.231 16.805 -9.433 1.00 53.34 C ATOM 2355 CD1 LEU A 157 8.429 18.266 -9.058 1.00 71.42 C ATOM 2356 CD2 LEU A 157 8.445 15.908 -8.222 1.00 61.22 C ATOM 0 H LEU A 157 4.423 15.614 -8.329 1.00 22.05 H new ATOM 0 HA LEU A 157 5.992 17.184 -8.139 1.00 64.21 H new ATOM 0 HB2 LEU A 157 6.705 15.519 -10.204 1.00 74.23 H new ATOM 0 HB3 LEU A 157 6.792 17.083 -10.991 1.00 74.23 H new ATOM 0 HG LEU A 157 8.970 16.542 -10.190 1.00 53.34 H new ATOM 0 HD11 LEU A 157 9.427 18.403 -8.641 1.00 71.42 H new ATOM 0 HD12 LEU A 157 8.319 18.888 -9.946 1.00 71.42 H new ATOM 0 HD13 LEU A 157 7.683 18.556 -8.318 1.00 71.42 H new ATOM 0 HD21 LEU A 157 9.442 16.077 -7.816 1.00 61.22 H new ATOM 0 HD22 LEU A 157 7.699 16.139 -7.461 1.00 61.22 H new ATOM 0 HD23 LEU A 157 8.347 14.864 -8.520 1.00 61.22 H new ATOM 2367 N GLU A 158 3.941 18.772 -9.388 1.00 51.51 N ATOM 2368 CA GLU A 158 3.374 20.049 -9.808 1.00 2.32 C ATOM 2369 C GLU A 158 3.333 21.035 -8.644 1.00 62.04 C ATOM 2370 O GLU A 158 4.329 21.688 -8.336 1.00 43.40 O ATOM 2371 CB GLU A 158 1.965 19.847 -10.369 1.00 41.24 C ATOM 2372 CG GLU A 158 1.392 21.085 -11.036 1.00 50.14 C ATOM 2373 CD GLU A 158 0.379 20.751 -12.115 1.00 74.41 C ATOM 2374 OE1 GLU A 158 0.774 20.144 -13.131 1.00 1.33 O ATOM 2375 OE2 GLU A 158 -0.808 21.097 -11.942 1.00 75.04 O ATOM 0 H GLU A 158 3.297 18.174 -8.870 1.00 51.51 H new ATOM 0 HA GLU A 158 4.013 20.461 -10.589 1.00 2.32 H new ATOM 0 HB2 GLU A 158 1.984 19.031 -11.092 1.00 41.24 H new ATOM 0 HB3 GLU A 158 1.302 19.540 -9.560 1.00 41.24 H new ATOM 0 HG2 GLU A 158 0.919 21.714 -10.281 1.00 50.14 H new ATOM 0 HG3 GLU A 158 2.204 21.667 -11.473 1.00 50.14 H new