USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 955 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.3) USER MOD Set 2.1: A 39 CYS SG : rot -37:sc= -2.74! USER MOD Set 2.2: A 63 ASN : amide:sc= -7.05! C(o=-9.8!,f=-9.6!) USER MOD Set 3.1: A 20 TYR OH : rot 141:sc= 0.0153 USER MOD Set 3.2: A 43 HIS : no HE2:sc= -2.12! C(o=-2.1!,f=-18!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -1.99! C(o=-3!,f=-10!) USER MOD Set 4.2: A 36 MET CE :methyl 160:sc= -1.07 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot 150:sc= 0.0568 USER MOD Set 5.1: A 13 CYS SG : rot -45:sc= -2.29! USER MOD Set 5.2: A 17 THR OG1 : rot 58:sc= 1.99 USER MOD Single : A 1 GLY N :NH3+ -139:sc= -2.74! (180deg=-6.04!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.345 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0494 (180deg=-0.426) USER MOD Single : A 7 ASN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 8 MET CE :methyl -170:sc= -1.21 (180deg=-1.31) USER MOD Single : A 16 MET CE :methyl 176:sc= -0.178 (180deg=-0.263) USER MOD Single : A 19 ASN : amide:sc= -4.81! C(o=-4.8!,f=-13!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -2.41 K(o=-2.4,f=-3.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.432 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -69:sc= 0.635! USER MOD Single : A 33 SER OG : rot 99:sc= 0.533 USER MOD Single : A 34 SER OG : rot -150:sc= -0.149 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.191) USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -0.0448 (180deg=-0.445) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 65 THR OG1 : rot 84:sc= -1.25! USER MOD Single : A 69 SER OG : rot 180:sc= -0.215 USER MOD Single : A 70 THR OG1 : rot 101:sc= 0.75 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc=-0.00652 (180deg=-0.22) USER MOD Single : A 77 CYS SG : rot -4:sc= 0.51 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -153:sc= -0.459 (180deg=-0.772) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.238 USER MOD Single : A 99 THR OG1 : rot 95:sc= 0.763 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.0211 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 70:sc= 0.0378 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.133) USER MOD Single : A 116 THR OG1 : rot -43:sc= 0.835! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.215 17.686 9.485 1.00 0.00 N ATOM 2 CA GLY A 1 9.301 18.154 10.565 1.00 0.00 C ATOM 3 C GLY A 1 8.288 19.134 9.982 1.00 0.00 C ATOM 4 O GLY A 1 7.085 18.997 10.198 1.00 0.00 O ATOM 0 H1 GLY A 1 10.390 16.667 9.595 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.777 17.864 8.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.117 18.200 9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.785 17.305 11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.874 18.635 11.358 1.00 0.00 H new ATOM 10 N PRO A 2 8.752 20.108 9.242 1.00 0.00 N ATOM 11 CA PRO A 2 7.861 21.116 8.612 1.00 0.00 C ATOM 12 C PRO A 2 7.063 20.494 7.469 1.00 0.00 C ATOM 13 O PRO A 2 5.841 20.624 7.398 1.00 0.00 O ATOM 14 CB PRO A 2 8.815 22.228 8.103 1.00 0.00 C ATOM 15 CG PRO A 2 10.220 21.802 8.467 1.00 0.00 C ATOM 16 CD PRO A 2 10.164 20.336 8.925 1.00 0.00 C ATOM 0 HA PRO A 2 7.122 21.510 9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.718 22.357 7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.571 23.186 8.562 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.885 21.909 7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.617 22.435 9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.510 19.661 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.799 20.167 9.795 1.00 0.00 H new ATOM 24 N LEU A 3 7.778 19.823 6.577 1.00 0.00 N ATOM 25 CA LEU A 3 7.160 19.178 5.433 1.00 0.00 C ATOM 26 C LEU A 3 6.210 18.073 5.890 1.00 0.00 C ATOM 27 O LEU A 3 5.112 17.925 5.355 1.00 0.00 O ATOM 28 CB LEU A 3 8.251 18.600 4.534 1.00 0.00 C ATOM 29 CG LEU A 3 9.066 19.743 3.913 1.00 0.00 C ATOM 30 CD1 LEU A 3 10.285 19.146 3.208 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.208 20.537 2.903 1.00 0.00 C ATOM 0 H LEU A 3 8.791 19.712 6.626 1.00 0.00 H new ATOM 0 HA LEU A 3 6.581 19.914 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.904 17.946 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.804 17.990 3.749 1.00 0.00 H new ATOM 0 HG LEU A 3 9.386 20.429 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.875 19.946 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.895 18.606 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.954 18.460 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.804 21.343 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.872 19.871 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.342 20.958 3.413 1.00 0.00 H new ATOM 43 N GLY A 4 6.639 17.294 6.887 1.00 0.00 N ATOM 44 CA GLY A 4 5.818 16.201 7.416 1.00 0.00 C ATOM 45 C GLY A 4 6.231 14.863 6.815 1.00 0.00 C ATOM 46 O GLY A 4 6.306 14.717 5.596 1.00 0.00 O ATOM 0 H GLY A 4 7.546 17.399 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.916 16.161 8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.768 16.393 7.197 1.00 0.00 H new ATOM 50 N SER A 5 6.498 13.887 7.680 1.00 0.00 N ATOM 51 CA SER A 5 6.902 12.561 7.224 1.00 0.00 C ATOM 52 C SER A 5 5.736 11.843 6.552 1.00 0.00 C ATOM 53 O SER A 5 5.793 11.519 5.366 1.00 0.00 O ATOM 54 CB SER A 5 7.395 11.734 8.410 1.00 0.00 C ATOM 55 OG SER A 5 6.311 11.500 9.301 1.00 0.00 O ATOM 0 H SER A 5 6.442 13.989 8.693 1.00 0.00 H new ATOM 0 HA SER A 5 7.707 12.677 6.498 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.806 10.786 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.198 12.260 8.926 1.00 0.00 H new ATOM 0 HG SER A 5 6.623 10.968 10.063 1.00 0.00 H new ATOM 61 N LYS A 6 4.682 11.588 7.322 1.00 0.00 N ATOM 62 CA LYS A 6 3.508 10.896 6.798 1.00 0.00 C ATOM 63 C LYS A 6 3.031 11.547 5.507 1.00 0.00 C ATOM 64 O LYS A 6 2.508 10.874 4.617 1.00 0.00 O ATOM 65 CB LYS A 6 2.385 10.923 7.835 1.00 0.00 C ATOM 66 CG LYS A 6 2.051 12.373 8.187 1.00 0.00 C ATOM 67 CD LYS A 6 0.944 12.396 9.239 1.00 0.00 C ATOM 68 CE LYS A 6 0.515 13.842 9.491 1.00 0.00 C ATOM 69 NZ LYS A 6 1.665 14.611 10.041 1.00 0.00 N ATOM 0 H LYS A 6 4.616 11.848 8.306 1.00 0.00 H new ATOM 0 HA LYS A 6 3.782 9.863 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.501 10.420 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.689 10.381 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.938 12.881 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.732 12.911 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.092 11.806 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.297 11.943 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.170 14.297 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.321 13.868 10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.319 15.489 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.155 14.038 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.326 14.843 9.273 1.00 0.00 H new ATOM 83 N ASN A 7 3.223 12.855 5.406 1.00 0.00 N ATOM 84 CA ASN A 7 2.819 13.582 4.212 1.00 0.00 C ATOM 85 C ASN A 7 3.591 13.055 3.006 1.00 0.00 C ATOM 86 O ASN A 7 3.035 12.906 1.917 1.00 0.00 O ATOM 87 CB ASN A 7 3.096 15.079 4.396 1.00 0.00 C ATOM 88 CG ASN A 7 2.019 15.708 5.273 1.00 0.00 C ATOM 89 OD1 ASN A 7 0.923 16.005 4.796 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.262 15.923 6.537 1.00 0.00 N ATOM 0 H ASN A 7 3.653 13.430 6.131 1.00 0.00 H new ATOM 0 HA ASN A 7 1.752 13.437 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.076 15.222 4.851 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.120 15.574 3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.544 16.337 7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.170 15.677 6.931 1.00 0.00 H new ATOM 97 N MET A 8 4.873 12.771 3.213 1.00 0.00 N ATOM 98 CA MET A 8 5.719 12.256 2.142 1.00 0.00 C ATOM 99 C MET A 8 5.177 10.919 1.634 1.00 0.00 C ATOM 100 O MET A 8 5.116 10.680 0.427 1.00 0.00 O ATOM 101 CB MET A 8 7.150 12.054 2.663 1.00 0.00 C ATOM 102 CG MET A 8 8.129 11.793 1.488 1.00 0.00 C ATOM 103 SD MET A 8 9.139 10.327 1.838 1.00 0.00 S ATOM 104 CE MET A 8 8.142 9.134 0.913 1.00 0.00 C ATOM 0 H MET A 8 5.347 12.888 4.108 1.00 0.00 H new ATOM 0 HA MET A 8 5.722 12.976 1.324 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.468 12.936 3.219 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.175 11.214 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.570 11.648 0.563 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.772 12.661 1.339 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.484 8.123 1.136 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.095 9.235 1.200 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.245 9.324 -0.155 1.00 0.00 H new ATOM 114 N LEU A 9 4.784 10.052 2.566 1.00 0.00 N ATOM 115 CA LEU A 9 4.251 8.749 2.211 1.00 0.00 C ATOM 116 C LEU A 9 2.955 8.898 1.433 1.00 0.00 C ATOM 117 O LEU A 9 2.744 8.233 0.419 1.00 0.00 O ATOM 118 CB LEU A 9 3.979 7.953 3.482 1.00 0.00 C ATOM 119 CG LEU A 9 5.297 7.573 4.149 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.010 7.001 5.537 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.064 6.531 3.300 1.00 0.00 C ATOM 0 H LEU A 9 4.827 10.233 3.569 1.00 0.00 H new ATOM 0 HA LEU A 9 4.980 8.230 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.371 8.543 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.410 7.055 3.244 1.00 0.00 H new ATOM 0 HG LEU A 9 5.918 8.465 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.949 6.727 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.497 7.750 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.379 6.117 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.000 6.276 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.456 5.633 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.277 6.949 2.316 1.00 0.00 H new ATOM 133 N LEU A 10 2.090 9.777 1.922 1.00 0.00 N ATOM 134 CA LEU A 10 0.807 10.005 1.272 1.00 0.00 C ATOM 135 C LEU A 10 1.049 10.508 -0.149 1.00 0.00 C ATOM 136 O LEU A 10 0.444 10.025 -1.110 1.00 0.00 O ATOM 137 CB LEU A 10 -0.005 11.034 2.071 1.00 0.00 C ATOM 138 CG LEU A 10 -1.508 10.911 1.743 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.147 9.801 2.588 1.00 0.00 C ATOM 140 CD2 LEU A 10 -2.210 12.235 2.061 1.00 0.00 C ATOM 0 H LEU A 10 2.251 10.339 2.758 1.00 0.00 H new ATOM 0 HA LEU A 10 0.243 9.073 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.154 10.881 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.343 12.040 1.838 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.616 10.671 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.207 9.725 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.657 8.852 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.032 10.037 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.272 12.149 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.087 12.467 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.772 13.033 1.461 1.00 0.00 H new ATOM 152 N GLU A 11 1.963 11.464 -0.268 1.00 0.00 N ATOM 153 CA GLU A 11 2.323 12.026 -1.565 1.00 0.00 C ATOM 154 C GLU A 11 2.866 10.936 -2.463 1.00 0.00 C ATOM 155 O GLU A 11 2.426 10.731 -3.594 1.00 0.00 O ATOM 156 CB GLU A 11 3.431 13.055 -1.355 1.00 0.00 C ATOM 157 CG GLU A 11 3.796 13.729 -2.677 1.00 0.00 C ATOM 158 CD GLU A 11 4.847 14.808 -2.430 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.050 15.155 -1.279 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.431 15.271 -3.396 1.00 0.00 O ATOM 0 H GLU A 11 2.470 11.867 0.520 1.00 0.00 H new ATOM 0 HA GLU A 11 1.443 12.480 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.106 13.806 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.311 12.569 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.178 12.989 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.908 14.170 -3.129 1.00 0.00 H new ATOM 167 N TRP A 12 3.845 10.261 -1.907 1.00 0.00 N ATOM 168 CA TRP A 12 4.547 9.171 -2.562 1.00 0.00 C ATOM 169 C TRP A 12 3.573 8.101 -3.056 1.00 0.00 C ATOM 170 O TRP A 12 3.516 7.821 -4.250 1.00 0.00 O ATOM 171 CB TRP A 12 5.499 8.635 -1.504 1.00 0.00 C ATOM 172 CG TRP A 12 6.249 7.423 -1.928 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.348 7.409 -2.709 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.012 6.052 -1.525 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.800 6.106 -2.818 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.003 5.228 -2.106 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.031 5.454 -0.721 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.022 3.850 -1.888 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.043 4.070 -0.499 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.037 3.268 -1.080 1.00 0.00 C ATOM 0 H TRP A 12 4.187 10.455 -0.966 1.00 0.00 H new ATOM 0 HA TRP A 12 5.082 9.498 -3.454 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.211 9.417 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.932 8.403 -0.603 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.801 8.273 -3.173 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.620 5.827 -3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.262 6.063 -0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.789 3.238 -2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.283 3.619 0.122 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.043 2.202 -0.904 1.00 0.00 H new ATOM 191 N CYS A 13 2.802 7.515 -2.145 1.00 0.00 N ATOM 192 CA CYS A 13 1.830 6.486 -2.518 1.00 0.00 C ATOM 193 C CYS A 13 0.866 7.005 -3.586 1.00 0.00 C ATOM 194 O CYS A 13 0.507 6.289 -4.521 1.00 0.00 O ATOM 195 CB CYS A 13 1.041 6.077 -1.274 1.00 0.00 C ATOM 196 SG CYS A 13 0.180 4.512 -1.575 1.00 0.00 S ATOM 0 H CYS A 13 2.829 7.731 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 13 2.364 5.629 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.715 5.973 -0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.321 6.854 -1.018 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.383 4.545 -2.746 1.00 0.00 H new ATOM 202 N ARG A 14 0.448 8.256 -3.426 1.00 0.00 N ATOM 203 CA ARG A 14 -0.484 8.880 -4.369 1.00 0.00 C ATOM 204 C ARG A 14 0.125 8.941 -5.759 1.00 0.00 C ATOM 205 O ARG A 14 -0.524 8.639 -6.762 1.00 0.00 O ATOM 206 CB ARG A 14 -0.803 10.298 -3.920 1.00 0.00 C ATOM 207 CG ARG A 14 -1.877 10.887 -4.837 1.00 0.00 C ATOM 208 CD ARG A 14 -2.280 12.273 -4.335 1.00 0.00 C ATOM 209 NE ARG A 14 -3.381 12.794 -5.145 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.648 12.713 -4.739 1.00 0.00 C ATOM 211 NH1 ARG A 14 -5.305 11.591 -4.868 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.233 13.753 -4.215 1.00 0.00 N ATOM 0 H ARG A 14 0.736 8.859 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.393 8.279 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.151 10.295 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.096 10.913 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.500 10.955 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.747 10.231 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.581 12.217 -3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.427 12.950 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.174 13.230 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.848 10.777 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.275 11.529 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.721 14.630 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.203 13.690 -3.905 1.00 0.00 H new ATOM 226 N ALA A 15 1.375 9.353 -5.790 1.00 0.00 N ATOM 227 CA ALA A 15 2.115 9.493 -7.043 1.00 0.00 C ATOM 228 C ALA A 15 2.153 8.186 -7.829 1.00 0.00 C ATOM 229 O ALA A 15 2.280 8.197 -9.055 1.00 0.00 O ATOM 230 CB ALA A 15 3.547 9.933 -6.740 1.00 0.00 C ATOM 0 H ALA A 15 1.911 9.601 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 15 1.603 10.240 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.101 10.038 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.531 10.890 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.032 9.185 -6.112 1.00 0.00 H new ATOM 236 N MET A 16 2.085 7.065 -7.122 1.00 0.00 N ATOM 237 CA MET A 16 2.154 5.741 -7.755 1.00 0.00 C ATOM 238 C MET A 16 0.819 5.008 -7.629 1.00 0.00 C ATOM 239 O MET A 16 0.632 3.941 -8.213 1.00 0.00 O ATOM 240 CB MET A 16 3.281 4.901 -7.089 1.00 0.00 C ATOM 241 CG MET A 16 3.849 5.652 -5.881 1.00 0.00 C ATOM 242 SD MET A 16 5.372 4.854 -5.316 1.00 0.00 S ATOM 243 CE MET A 16 6.496 6.198 -5.762 1.00 0.00 C ATOM 0 H MET A 16 1.982 7.040 -6.108 1.00 0.00 H new ATOM 0 HA MET A 16 2.374 5.874 -8.814 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.888 3.934 -6.775 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.074 4.704 -7.811 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.050 6.689 -6.149 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.116 5.667 -5.074 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.506 5.951 -5.434 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.488 6.335 -6.843 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.172 7.119 -5.277 1.00 0.00 H new ATOM 253 N THR A 17 -0.101 5.583 -6.862 1.00 0.00 N ATOM 254 CA THR A 17 -1.418 4.974 -6.660 1.00 0.00 C ATOM 255 C THR A 17 -2.458 5.629 -7.565 1.00 0.00 C ATOM 256 O THR A 17 -3.571 5.123 -7.707 1.00 0.00 O ATOM 257 CB THR A 17 -1.846 5.115 -5.196 1.00 0.00 C ATOM 258 OG1 THR A 17 -0.975 4.352 -4.375 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.282 4.614 -5.020 1.00 0.00 C ATOM 0 H THR A 17 0.036 6.466 -6.370 1.00 0.00 H new ATOM 0 HA THR A 17 -1.348 3.916 -6.914 1.00 0.00 H new ATOM 0 HB THR A 17 -1.797 6.165 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.053 4.660 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.578 4.718 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.952 5.202 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.340 3.565 -5.311 1.00 0.00 H new ATOM 267 N ARG A 18 -2.088 6.747 -8.182 1.00 0.00 N ATOM 268 CA ARG A 18 -3.003 7.437 -9.078 1.00 0.00 C ATOM 269 C ARG A 18 -3.200 6.597 -10.333 1.00 0.00 C ATOM 270 O ARG A 18 -4.320 6.389 -10.801 1.00 0.00 O ATOM 271 CB ARG A 18 -2.421 8.797 -9.447 1.00 0.00 C ATOM 272 CG ARG A 18 -3.430 9.577 -10.285 1.00 0.00 C ATOM 273 CD ARG A 18 -2.832 10.931 -10.656 1.00 0.00 C ATOM 274 NE ARG A 18 -3.845 11.788 -11.267 1.00 0.00 N ATOM 275 CZ ARG A 18 -4.622 12.569 -10.521 1.00 0.00 C ATOM 276 NH1 ARG A 18 -4.224 13.770 -10.201 1.00 0.00 N ATOM 277 NH2 ARG A 18 -5.775 12.130 -10.101 1.00 0.00 N ATOM 0 H ARG A 18 -1.174 7.188 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.965 7.583 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.175 9.355 -8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.493 8.667 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.682 9.018 -11.186 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.356 9.715 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.428 11.413 -9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.001 10.791 -11.347 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.958 11.788 -12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.318 14.110 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.819 14.369 -9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.081 11.188 -10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.371 12.728 -9.529 1.00 0.00 H new ATOM 291 N ASN A 19 -2.083 6.114 -10.860 1.00 0.00 N ATOM 292 CA ASN A 19 -2.105 5.285 -12.055 1.00 0.00 C ATOM 293 C ASN A 19 -3.156 4.192 -11.910 1.00 0.00 C ATOM 294 O ASN A 19 -3.677 3.681 -12.901 1.00 0.00 O ATOM 295 CB ASN A 19 -0.737 4.646 -12.271 1.00 0.00 C ATOM 296 CG ASN A 19 -0.401 3.753 -11.081 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.066 3.824 -10.047 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.592 2.914 -11.165 1.00 0.00 N ATOM 0 H ASN A 19 -1.152 6.282 -10.479 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.351 5.912 -12.912 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.738 4.060 -13.190 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.023 5.419 -12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.821 2.313 -10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.141 2.858 -12.023 1.00 0.00 H new ATOM 305 N TYR A 20 -3.462 3.840 -10.660 1.00 0.00 N ATOM 306 CA TYR A 20 -4.456 2.802 -10.375 1.00 0.00 C ATOM 307 C TYR A 20 -5.822 3.420 -10.087 1.00 0.00 C ATOM 308 O TYR A 20 -6.047 3.976 -9.018 1.00 0.00 O ATOM 309 CB TYR A 20 -4.011 1.967 -9.165 1.00 0.00 C ATOM 310 CG TYR A 20 -2.846 1.091 -9.561 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.044 0.041 -10.463 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.573 1.333 -9.040 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.967 -0.767 -10.849 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.495 0.525 -9.423 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.691 -0.523 -10.329 1.00 0.00 C ATOM 316 OH TYR A 20 0.375 -1.316 -10.709 1.00 0.00 O ATOM 0 H TYR A 20 -3.038 4.256 -9.831 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.538 2.162 -11.253 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.724 2.622 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.838 1.352 -8.809 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.029 -0.147 -10.863 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.420 2.143 -8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.121 -1.577 -11.547 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.489 0.711 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 20 1.174 -0.759 -10.819 1.00 0.00 H new ATOM 326 N GLU A 21 -6.726 3.331 -11.054 1.00 0.00 N ATOM 327 CA GLU A 21 -8.067 3.890 -10.893 1.00 0.00 C ATOM 328 C GLU A 21 -8.833 3.127 -9.819 1.00 0.00 C ATOM 329 O GLU A 21 -8.300 2.198 -9.216 1.00 0.00 O ATOM 330 CB GLU A 21 -8.825 3.807 -12.216 1.00 0.00 C ATOM 331 CG GLU A 21 -8.809 2.360 -12.715 1.00 0.00 C ATOM 332 CD GLU A 21 -9.582 2.250 -14.022 1.00 0.00 C ATOM 333 OE1 GLU A 21 -10.701 2.736 -14.071 1.00 0.00 O ATOM 334 OE2 GLU A 21 -9.046 1.679 -14.958 1.00 0.00 O ATOM 0 H GLU A 21 -6.559 2.880 -11.954 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.976 4.933 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.852 4.147 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.365 4.464 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.781 2.029 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.251 1.703 -11.965 1.00 0.00 H new ATOM 341 N HIS A 22 -10.074 3.543 -9.566 1.00 0.00 N ATOM 342 CA HIS A 22 -10.892 2.900 -8.541 1.00 0.00 C ATOM 343 C HIS A 22 -10.217 3.070 -7.182 1.00 0.00 C ATOM 344 O HIS A 22 -10.723 2.625 -6.154 1.00 0.00 O ATOM 345 CB HIS A 22 -11.071 1.404 -8.875 1.00 0.00 C ATOM 346 CG HIS A 22 -12.099 0.765 -7.975 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.923 0.646 -6.606 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.301 0.163 -8.246 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.992 -0.003 -6.111 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.865 -0.319 -7.069 1.00 0.00 N ATOM 0 H HIS A 22 -10.530 4.315 -10.052 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.878 3.365 -8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.376 1.295 -9.916 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.117 0.888 -8.767 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.126 0.989 -6.070 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.744 0.076 -9.227 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.127 -0.239 -5.066 1.00 0.00 H new ATOM 358 N VAL A 23 -9.062 3.737 -7.191 1.00 0.00 N ATOM 359 CA VAL A 23 -8.301 3.981 -5.968 1.00 0.00 C ATOM 360 C VAL A 23 -7.968 5.463 -5.848 1.00 0.00 C ATOM 361 O VAL A 23 -7.444 6.075 -6.780 1.00 0.00 O ATOM 362 CB VAL A 23 -7.008 3.155 -6.002 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.223 3.343 -4.707 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.356 1.676 -6.170 1.00 0.00 C ATOM 0 H VAL A 23 -8.633 4.118 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.898 3.685 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.397 3.492 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.309 2.751 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.968 4.396 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.830 3.017 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.439 1.087 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.974 1.350 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.903 1.535 -7.102 1.00 0.00 H new ATOM 374 N ASP A 24 -8.274 6.030 -4.687 1.00 0.00 N ATOM 375 CA ASP A 24 -8.007 7.444 -4.417 1.00 0.00 C ATOM 376 C ASP A 24 -7.621 7.619 -2.955 1.00 0.00 C ATOM 377 O ASP A 24 -8.449 7.450 -2.065 1.00 0.00 O ATOM 378 CB ASP A 24 -9.243 8.291 -4.729 1.00 0.00 C ATOM 379 CG ASP A 24 -8.891 9.773 -4.638 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.843 10.080 -4.095 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.675 10.578 -5.113 1.00 0.00 O ATOM 0 H ASP A 24 -8.710 5.532 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.187 7.775 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.613 8.056 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.044 8.054 -4.028 1.00 0.00 H new ATOM 386 N ILE A 25 -6.352 7.924 -2.718 1.00 0.00 N ATOM 387 CA ILE A 25 -5.850 8.080 -1.356 1.00 0.00 C ATOM 388 C ILE A 25 -6.330 9.371 -0.687 1.00 0.00 C ATOM 389 O ILE A 25 -5.785 10.452 -0.918 1.00 0.00 O ATOM 390 CB ILE A 25 -4.318 8.026 -1.367 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.883 6.611 -1.781 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.766 8.358 0.026 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.360 6.539 -1.925 1.00 0.00 C ATOM 0 H ILE A 25 -5.653 8.068 -3.447 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.252 7.257 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.928 8.758 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.218 5.889 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.357 6.340 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.677 8.316 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.085 9.359 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.143 7.634 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.070 5.530 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.033 7.247 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.892 6.789 -0.973 1.00 0.00 H new ATOM 405 N GLN A 26 -7.336 9.223 0.174 1.00 0.00 N ATOM 406 CA GLN A 26 -7.897 10.341 0.934 1.00 0.00 C ATOM 407 C GLN A 26 -7.427 10.244 2.383 1.00 0.00 C ATOM 408 O GLN A 26 -7.203 11.249 3.056 1.00 0.00 O ATOM 409 CB GLN A 26 -9.428 10.280 0.887 1.00 0.00 C ATOM 410 CG GLN A 26 -10.022 11.433 1.701 1.00 0.00 C ATOM 411 CD GLN A 26 -11.541 11.433 1.573 1.00 0.00 C ATOM 412 OE1 GLN A 26 -12.195 10.453 1.931 1.00 0.00 O ATOM 413 NE2 GLN A 26 -12.145 12.481 1.085 1.00 0.00 N ATOM 0 H GLN A 26 -7.785 8.327 0.365 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.563 11.283 0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.771 10.338 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.775 9.326 1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.737 11.334 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.619 12.383 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.601 13.292 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.161 12.490 0.999 1.00 0.00 H new ATOM 422 N ASN A 27 -7.271 9.005 2.835 1.00 0.00 N ATOM 423 CA ASN A 27 -6.814 8.714 4.188 1.00 0.00 C ATOM 424 C ASN A 27 -6.253 7.302 4.225 1.00 0.00 C ATOM 425 O ASN A 27 -6.758 6.419 3.537 1.00 0.00 O ATOM 426 CB ASN A 27 -7.971 8.832 5.184 1.00 0.00 C ATOM 427 CG ASN A 27 -8.393 10.289 5.325 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.556 11.155 5.578 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.648 10.611 5.177 1.00 0.00 N ATOM 0 H ASN A 27 -7.458 8.174 2.274 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.043 9.432 4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.815 8.232 4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.668 8.437 6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.939 11.584 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.338 9.890 4.967 1.00 0.00 H new ATOM 436 N PHE A 28 -5.210 7.087 5.014 1.00 0.00 N ATOM 437 CA PHE A 28 -4.606 5.764 5.095 1.00 0.00 C ATOM 438 C PHE A 28 -5.611 4.739 5.618 1.00 0.00 C ATOM 439 O PHE A 28 -5.327 3.543 5.662 1.00 0.00 O ATOM 440 CB PHE A 28 -3.374 5.795 6.009 1.00 0.00 C ATOM 441 CG PHE A 28 -2.208 6.420 5.275 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.645 5.756 4.180 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.690 7.654 5.686 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.566 6.324 3.494 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.609 8.223 5.000 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.047 7.558 3.904 1.00 0.00 C ATOM 0 H PHE A 28 -4.770 7.798 5.598 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.299 5.471 4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.594 6.364 6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.118 4.783 6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.044 4.803 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.124 8.167 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.133 5.811 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.209 9.175 5.317 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.786 7.996 3.375 1.00 0.00 H new ATOM 456 N SER A 29 -6.764 5.225 6.060 1.00 0.00 N ATOM 457 CA SER A 29 -7.799 4.362 6.639 1.00 0.00 C ATOM 458 C SER A 29 -8.909 4.011 5.646 1.00 0.00 C ATOM 459 O SER A 29 -8.983 2.889 5.145 1.00 0.00 O ATOM 460 CB SER A 29 -8.420 5.086 7.835 1.00 0.00 C ATOM 461 OG SER A 29 -8.833 6.385 7.427 1.00 0.00 O ATOM 0 H SER A 29 -7.011 6.214 6.031 1.00 0.00 H new ATOM 0 HA SER A 29 -7.321 3.428 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.272 4.522 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.697 5.159 8.648 1.00 0.00 H new ATOM 0 HG SER A 29 -9.234 6.855 8.188 1.00 0.00 H new ATOM 467 N SER A 30 -9.797 4.970 5.418 1.00 0.00 N ATOM 468 CA SER A 30 -10.947 4.768 4.535 1.00 0.00 C ATOM 469 C SER A 30 -10.532 4.437 3.106 1.00 0.00 C ATOM 470 O SER A 30 -11.183 3.637 2.435 1.00 0.00 O ATOM 471 CB SER A 30 -11.814 6.028 4.526 1.00 0.00 C ATOM 472 OG SER A 30 -11.038 7.129 4.073 1.00 0.00 O ATOM 0 H SER A 30 -9.746 5.901 5.833 1.00 0.00 H new ATOM 0 HA SER A 30 -11.508 3.918 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.677 5.885 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.198 6.226 5.527 1.00 0.00 H new ATOM 0 HG SER A 30 -11.591 7.938 4.064 1.00 0.00 H new ATOM 478 N SER A 31 -9.472 5.066 2.637 1.00 0.00 N ATOM 479 CA SER A 31 -9.013 4.837 1.274 1.00 0.00 C ATOM 480 C SER A 31 -8.357 3.466 1.139 1.00 0.00 C ATOM 481 O SER A 31 -7.895 3.092 0.062 1.00 0.00 O ATOM 482 CB SER A 31 -8.019 5.934 0.879 1.00 0.00 C ATOM 483 OG SER A 31 -6.690 5.459 1.038 1.00 0.00 O ATOM 0 H SER A 31 -8.915 5.734 3.170 1.00 0.00 H new ATOM 0 HA SER A 31 -9.875 4.866 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.186 6.234 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.175 6.819 1.497 1.00 0.00 H new ATOM 0 HG SER A 31 -6.496 5.343 1.992 1.00 0.00 H new ATOM 489 N TRP A 32 -8.306 2.723 2.244 1.00 0.00 N ATOM 490 CA TRP A 32 -7.693 1.396 2.256 1.00 0.00 C ATOM 491 C TRP A 32 -8.725 0.308 2.556 1.00 0.00 C ATOM 492 O TRP A 32 -8.423 -0.883 2.474 1.00 0.00 O ATOM 493 CB TRP A 32 -6.627 1.382 3.338 1.00 0.00 C ATOM 494 CG TRP A 32 -5.497 2.249 2.921 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.567 3.586 2.787 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.139 1.868 2.589 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.335 4.052 2.368 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.418 3.029 2.241 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.475 0.637 2.550 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.078 2.970 1.872 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.123 0.571 2.176 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.425 1.737 1.840 1.00 0.00 C ATOM 0 H TRP A 32 -8.683 3.019 3.144 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.265 1.192 1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.044 1.736 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.277 0.364 3.507 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.440 4.193 2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.129 5.032 2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.005 -0.268 2.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.546 3.873 1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.619 -0.384 2.147 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.384 1.683 1.557 1.00 0.00 H new ATOM 513 N SER A 33 -9.930 0.722 2.926 1.00 0.00 N ATOM 514 CA SER A 33 -10.982 -0.232 3.259 1.00 0.00 C ATOM 515 C SER A 33 -11.277 -1.165 2.092 1.00 0.00 C ATOM 516 O SER A 33 -11.906 -2.210 2.270 1.00 0.00 O ATOM 517 CB SER A 33 -12.257 0.510 3.650 1.00 0.00 C ATOM 518 OG SER A 33 -13.257 -0.434 4.011 1.00 0.00 O ATOM 0 H SER A 33 -10.203 1.702 3.003 1.00 0.00 H new ATOM 0 HA SER A 33 -10.632 -0.832 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.058 1.184 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.603 1.124 2.819 1.00 0.00 H new ATOM 0 HG SER A 33 -13.297 -0.511 4.987 1.00 0.00 H new ATOM 524 N SER A 34 -10.842 -0.782 0.895 1.00 0.00 N ATOM 525 CA SER A 34 -11.085 -1.597 -0.292 1.00 0.00 C ATOM 526 C SER A 34 -10.008 -2.666 -0.473 1.00 0.00 C ATOM 527 O SER A 34 -10.226 -3.660 -1.163 1.00 0.00 O ATOM 528 CB SER A 34 -11.106 -0.693 -1.523 1.00 0.00 C ATOM 529 OG SER A 34 -9.776 -0.290 -1.825 1.00 0.00 O ATOM 0 H SER A 34 -10.324 0.079 0.721 1.00 0.00 H new ATOM 0 HA SER A 34 -12.044 -2.101 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.541 -1.222 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.731 0.181 -1.338 1.00 0.00 H new ATOM 0 HG SER A 34 -9.790 0.594 -2.247 1.00 0.00 H new ATOM 535 N GLY A 35 -8.842 -2.454 0.128 1.00 0.00 N ATOM 536 CA GLY A 35 -7.745 -3.409 -0.009 1.00 0.00 C ATOM 537 C GLY A 35 -7.060 -3.211 -1.353 1.00 0.00 C ATOM 538 O GLY A 35 -5.981 -3.743 -1.610 1.00 0.00 O ATOM 0 H GLY A 35 -8.632 -1.641 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.027 -3.272 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.124 -4.428 0.070 1.00 0.00 H new ATOM 542 N MET A 36 -7.713 -2.423 -2.197 1.00 0.00 N ATOM 543 CA MET A 36 -7.211 -2.112 -3.524 1.00 0.00 C ATOM 544 C MET A 36 -5.873 -1.374 -3.424 1.00 0.00 C ATOM 545 O MET A 36 -5.007 -1.514 -4.286 1.00 0.00 O ATOM 546 CB MET A 36 -8.246 -1.240 -4.248 1.00 0.00 C ATOM 547 CG MET A 36 -9.606 -1.954 -4.295 1.00 0.00 C ATOM 548 SD MET A 36 -9.621 -3.168 -5.642 1.00 0.00 S ATOM 549 CE MET A 36 -10.557 -2.179 -6.838 1.00 0.00 C ATOM 0 H MET A 36 -8.606 -1.982 -1.978 1.00 0.00 H new ATOM 0 HA MET A 36 -7.050 -3.034 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.347 -0.283 -3.736 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.905 -1.025 -5.261 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.798 -2.451 -3.344 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.404 -1.226 -4.441 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.388 -2.567 -7.843 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.620 -2.233 -6.602 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.227 -1.141 -6.789 1.00 0.00 H new ATOM 559 N ALA A 37 -5.726 -0.581 -2.365 1.00 0.00 N ATOM 560 CA ALA A 37 -4.500 0.187 -2.150 1.00 0.00 C ATOM 561 C ALA A 37 -3.287 -0.725 -1.924 1.00 0.00 C ATOM 562 O ALA A 37 -2.255 -0.561 -2.574 1.00 0.00 O ATOM 563 CB ALA A 37 -4.672 1.119 -0.947 1.00 0.00 C ATOM 0 H ALA A 37 -6.437 -0.453 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.317 0.773 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.755 1.688 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.498 1.806 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.886 0.528 -0.057 1.00 0.00 H new ATOM 569 N PHE A 38 -3.406 -1.671 -0.989 1.00 0.00 N ATOM 570 CA PHE A 38 -2.290 -2.575 -0.691 1.00 0.00 C ATOM 571 C PHE A 38 -1.853 -3.331 -1.951 1.00 0.00 C ATOM 572 O PHE A 38 -0.665 -3.444 -2.233 1.00 0.00 O ATOM 573 CB PHE A 38 -2.684 -3.583 0.427 1.00 0.00 C ATOM 574 CG PHE A 38 -2.287 -3.050 1.794 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.931 -2.882 2.098 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.260 -2.734 2.754 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.546 -2.399 3.354 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.871 -2.250 4.011 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.516 -2.083 4.307 1.00 0.00 C ATOM 0 H PHE A 38 -4.247 -1.831 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.453 -1.972 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.759 -3.763 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.196 -4.541 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.180 -3.126 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.307 -2.863 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.501 -2.271 3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.619 -2.006 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.218 -1.709 5.275 1.00 0.00 H new ATOM 589 N CYS A 39 -2.815 -3.847 -2.702 1.00 0.00 N ATOM 590 CA CYS A 39 -2.498 -4.590 -3.921 1.00 0.00 C ATOM 591 C CYS A 39 -1.951 -3.670 -5.017 1.00 0.00 C ATOM 592 O CYS A 39 -0.975 -4.004 -5.690 1.00 0.00 O ATOM 593 CB CYS A 39 -3.746 -5.312 -4.425 1.00 0.00 C ATOM 594 SG CYS A 39 -4.873 -4.116 -5.176 1.00 0.00 S ATOM 0 H CYS A 39 -3.811 -3.769 -2.496 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.724 -5.318 -3.679 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.469 -6.074 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.240 -5.825 -3.600 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.840 -3.005 -4.501 1.00 0.00 H new ATOM 600 N ALA A 40 -2.600 -2.528 -5.205 1.00 0.00 N ATOM 601 CA ALA A 40 -2.198 -1.575 -6.236 1.00 0.00 C ATOM 602 C ALA A 40 -0.788 -1.030 -6.002 1.00 0.00 C ATOM 603 O ALA A 40 -0.006 -0.886 -6.942 1.00 0.00 O ATOM 604 CB ALA A 40 -3.188 -0.410 -6.256 1.00 0.00 C ATOM 0 H ALA A 40 -3.409 -2.237 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.197 -2.101 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.893 0.305 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.188 -0.786 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.190 0.082 -5.284 1.00 0.00 H new ATOM 610 N LEU A 41 -0.474 -0.715 -4.753 1.00 0.00 N ATOM 611 CA LEU A 41 0.841 -0.170 -4.419 1.00 0.00 C ATOM 612 C LEU A 41 1.950 -1.193 -4.709 1.00 0.00 C ATOM 613 O LEU A 41 2.999 -0.847 -5.255 1.00 0.00 O ATOM 614 CB LEU A 41 0.855 0.240 -2.942 1.00 0.00 C ATOM 615 CG LEU A 41 2.158 0.969 -2.585 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.293 2.270 -3.401 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.135 1.303 -1.088 1.00 0.00 C ATOM 0 H LEU A 41 -1.104 -0.825 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 41 1.032 0.706 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.003 0.887 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.745 -0.644 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 41 3.007 0.327 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.223 2.772 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.301 2.033 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.450 2.926 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.054 1.822 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.280 1.943 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.054 0.382 -0.511 1.00 0.00 H new ATOM 629 N ILE A 42 1.702 -2.452 -4.349 1.00 0.00 N ATOM 630 CA ILE A 42 2.662 -3.545 -4.572 1.00 0.00 C ATOM 631 C ILE A 42 2.885 -3.805 -6.069 1.00 0.00 C ATOM 632 O ILE A 42 4.013 -4.029 -6.507 1.00 0.00 O ATOM 633 CB ILE A 42 2.129 -4.820 -3.876 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.194 -4.643 -2.351 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.923 -6.078 -4.269 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.647 -4.454 -1.862 1.00 0.00 C ATOM 0 H ILE A 42 0.837 -2.747 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 42 3.626 -3.261 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 42 1.099 -4.959 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.596 -3.780 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.756 -5.514 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.509 -6.945 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.855 -6.229 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.968 -5.952 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.653 -4.332 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.238 -5.329 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.076 -3.568 -2.330 1.00 0.00 H new ATOM 648 N HIS A 43 1.800 -3.801 -6.832 1.00 0.00 N ATOM 649 CA HIS A 43 1.871 -4.066 -8.272 1.00 0.00 C ATOM 650 C HIS A 43 2.817 -3.087 -8.969 1.00 0.00 C ATOM 651 O HIS A 43 3.572 -3.463 -9.865 1.00 0.00 O ATOM 652 CB HIS A 43 0.472 -3.939 -8.875 1.00 0.00 C ATOM 653 CG HIS A 43 0.472 -4.479 -10.278 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.433 -3.654 -11.391 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.491 -5.763 -10.763 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.427 -4.444 -12.481 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.462 -5.738 -12.155 1.00 0.00 N ATOM 0 H HIS A 43 0.859 -3.618 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 43 2.256 -5.075 -8.420 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.248 -4.485 -8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.160 -2.895 -8.877 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.413 -2.634 -11.385 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.523 -6.657 -10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.397 -4.076 -13.496 1.00 0.00 H new ATOM 665 N LYS A 44 2.745 -1.832 -8.563 1.00 0.00 N ATOM 666 CA LYS A 44 3.569 -0.786 -9.162 1.00 0.00 C ATOM 667 C LYS A 44 5.042 -1.216 -9.219 1.00 0.00 C ATOM 668 O LYS A 44 5.749 -0.921 -10.180 1.00 0.00 O ATOM 669 CB LYS A 44 3.447 0.499 -8.320 1.00 0.00 C ATOM 670 CG LYS A 44 3.658 1.755 -9.186 1.00 0.00 C ATOM 671 CD LYS A 44 5.047 1.737 -9.847 1.00 0.00 C ATOM 672 CE LYS A 44 5.483 3.168 -10.189 1.00 0.00 C ATOM 673 NZ LYS A 44 4.451 3.818 -11.045 1.00 0.00 N ATOM 0 H LYS A 44 2.125 -1.508 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 44 3.220 -0.606 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.463 0.538 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.182 0.481 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.886 1.807 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.555 2.648 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.773 1.277 -9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.021 1.130 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.625 3.743 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.442 3.152 -10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.860 4.655 -11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.127 3.146 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.644 4.108 -10.456 1.00 0.00 H new ATOM 687 N PHE A 45 5.498 -1.909 -8.183 1.00 0.00 N ATOM 688 CA PHE A 45 6.893 -2.355 -8.118 1.00 0.00 C ATOM 689 C PHE A 45 7.093 -3.726 -8.765 1.00 0.00 C ATOM 690 O PHE A 45 8.195 -4.059 -9.201 1.00 0.00 O ATOM 691 CB PHE A 45 7.329 -2.421 -6.646 1.00 0.00 C ATOM 692 CG PHE A 45 6.669 -1.304 -5.864 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.623 -0.004 -6.388 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.100 -1.571 -4.612 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.012 1.024 -5.659 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.491 -0.544 -3.885 1.00 0.00 C ATOM 697 CZ PHE A 45 5.448 0.755 -4.408 1.00 0.00 C ATOM 0 H PHE A 45 4.930 -2.175 -7.379 1.00 0.00 H new ATOM 0 HA PHE A 45 7.499 -1.638 -8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.056 -3.386 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.413 -2.336 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.059 0.204 -7.354 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.132 -2.572 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.976 2.025 -6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.053 -0.752 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.979 1.549 -3.845 1.00 0.00 H new ATOM 707 N PHE A 46 6.038 -4.536 -8.779 1.00 0.00 N ATOM 708 CA PHE A 46 6.116 -5.894 -9.321 1.00 0.00 C ATOM 709 C PHE A 46 4.997 -6.159 -10.348 1.00 0.00 C ATOM 710 O PHE A 46 3.878 -6.485 -9.963 1.00 0.00 O ATOM 711 CB PHE A 46 5.967 -6.852 -8.144 1.00 0.00 C ATOM 712 CG PHE A 46 6.944 -6.450 -7.056 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.326 -6.594 -7.249 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.462 -5.924 -5.854 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.216 -6.211 -6.236 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.349 -5.542 -4.844 1.00 0.00 C ATOM 717 CZ PHE A 46 8.723 -5.685 -5.033 1.00 0.00 C ATOM 0 H PHE A 46 5.118 -4.278 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 46 7.066 -6.032 -9.837 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.946 -6.825 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.160 -7.876 -8.465 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.704 -6.999 -8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.398 -5.812 -5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.280 -6.321 -6.382 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.970 -5.136 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.408 -5.390 -4.252 1.00 0.00 H new ATOM 727 N PRO A 47 5.263 -6.031 -11.638 1.00 0.00 N ATOM 728 CA PRO A 47 4.227 -6.276 -12.692 1.00 0.00 C ATOM 729 C PRO A 47 3.952 -7.770 -12.892 1.00 0.00 C ATOM 730 O PRO A 47 2.809 -8.182 -13.086 1.00 0.00 O ATOM 731 CB PRO A 47 4.823 -5.648 -13.978 1.00 0.00 C ATOM 732 CG PRO A 47 6.172 -5.085 -13.603 1.00 0.00 C ATOM 733 CD PRO A 47 6.548 -5.652 -12.232 1.00 0.00 C ATOM 0 HA PRO A 47 3.266 -5.840 -12.417 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.921 -6.397 -14.764 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.171 -4.865 -14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.920 -5.357 -14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.136 -3.996 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.213 -6.510 -12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.066 -4.911 -11.623 1.00 0.00 H new ATOM 741 N GLU A 48 5.008 -8.571 -12.834 1.00 0.00 N ATOM 742 CA GLU A 48 4.867 -10.012 -13.002 1.00 0.00 C ATOM 743 C GLU A 48 4.088 -10.582 -11.830 1.00 0.00 C ATOM 744 O GLU A 48 3.840 -11.786 -11.746 1.00 0.00 O ATOM 745 CB GLU A 48 6.246 -10.668 -13.083 1.00 0.00 C ATOM 746 CG GLU A 48 7.058 -10.308 -11.838 1.00 0.00 C ATOM 747 CD GLU A 48 8.439 -10.948 -11.917 1.00 0.00 C ATOM 748 OE1 GLU A 48 9.014 -10.941 -12.993 1.00 0.00 O ATOM 749 OE2 GLU A 48 8.902 -11.437 -10.899 1.00 0.00 O ATOM 0 H GLU A 48 5.963 -8.252 -12.673 1.00 0.00 H new ATOM 0 HA GLU A 48 4.328 -10.216 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.141 -11.750 -13.161 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.768 -10.333 -13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.153 -9.225 -11.756 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.539 -10.651 -10.943 1.00 0.00 H new ATOM 756 N ALA A 49 3.725 -9.692 -10.919 1.00 0.00 N ATOM 757 CA ALA A 49 2.985 -10.074 -9.720 1.00 0.00 C ATOM 758 C ALA A 49 1.608 -10.626 -10.044 1.00 0.00 C ATOM 759 O ALA A 49 1.307 -11.790 -9.779 1.00 0.00 O ATOM 760 CB ALA A 49 2.798 -8.849 -8.841 1.00 0.00 C ATOM 0 H ALA A 49 3.931 -8.695 -10.985 1.00 0.00 H new ATOM 0 HA ALA A 49 3.561 -10.851 -9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.246 -9.126 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.773 -8.451 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.241 -8.089 -9.389 1.00 0.00 H new ATOM 766 N PHE A 50 0.772 -9.763 -10.599 1.00 0.00 N ATOM 767 CA PHE A 50 -0.585 -10.133 -10.951 1.00 0.00 C ATOM 768 C PHE A 50 -1.237 -9.018 -11.757 1.00 0.00 C ATOM 769 O PHE A 50 -0.772 -7.878 -11.754 1.00 0.00 O ATOM 770 CB PHE A 50 -1.401 -10.403 -9.684 1.00 0.00 C ATOM 771 CG PHE A 50 -1.171 -9.304 -8.665 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.820 -8.068 -8.797 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.318 -9.529 -7.576 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.613 -7.061 -7.839 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.110 -8.523 -6.623 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.756 -7.290 -6.754 1.00 0.00 C ATOM 0 H PHE A 50 1.014 -8.796 -10.816 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.557 -11.040 -11.556 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.461 -10.462 -9.932 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.118 -11.366 -9.260 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.478 -7.890 -9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.181 -10.481 -7.471 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.115 -6.110 -7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.550 -8.700 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.595 -6.515 -6.020 1.00 0.00 H new ATOM 786 N ASP A 51 -2.331 -9.346 -12.435 1.00 0.00 N ATOM 787 CA ASP A 51 -3.050 -8.358 -13.229 1.00 0.00 C ATOM 788 C ASP A 51 -4.053 -7.620 -12.347 1.00 0.00 C ATOM 789 O ASP A 51 -5.177 -8.081 -12.144 1.00 0.00 O ATOM 790 CB ASP A 51 -3.779 -9.045 -14.383 1.00 0.00 C ATOM 791 CG ASP A 51 -2.782 -9.472 -15.457 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.654 -9.009 -15.413 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.163 -10.256 -16.311 1.00 0.00 O ATOM 0 H ASP A 51 -2.737 -10.282 -12.451 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.337 -7.642 -13.638 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.321 -9.915 -14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.518 -8.367 -14.811 1.00 0.00 H new ATOM 798 N TYR A 52 -3.630 -6.477 -11.814 1.00 0.00 N ATOM 799 CA TYR A 52 -4.477 -5.674 -10.943 1.00 0.00 C ATOM 800 C TYR A 52 -5.774 -5.306 -11.638 1.00 0.00 C ATOM 801 O TYR A 52 -6.777 -5.010 -10.989 1.00 0.00 O ATOM 802 CB TYR A 52 -3.740 -4.387 -10.564 1.00 0.00 C ATOM 803 CG TYR A 52 -4.702 -3.397 -9.931 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.936 -3.394 -8.548 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.379 -2.493 -10.755 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.850 -2.481 -7.998 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.285 -1.583 -10.206 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.523 -1.576 -8.827 1.00 0.00 C ATOM 809 OH TYR A 52 -7.425 -0.682 -8.287 1.00 0.00 O ATOM 0 H TYR A 52 -2.701 -6.086 -11.972 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.706 -6.260 -10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.931 -4.614 -9.869 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.284 -3.946 -11.451 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.415 -4.091 -7.909 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.201 -2.498 -11.820 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.034 -2.477 -6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.802 -0.884 -10.846 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.439 0.135 -8.828 1.00 0.00 H new ATOM 819 N ALA A 53 -5.750 -5.318 -12.955 1.00 0.00 N ATOM 820 CA ALA A 53 -6.935 -4.978 -13.724 1.00 0.00 C ATOM 821 C ALA A 53 -7.875 -6.168 -13.793 1.00 0.00 C ATOM 822 O ALA A 53 -9.050 -6.023 -14.130 1.00 0.00 O ATOM 823 CB ALA A 53 -6.536 -4.552 -15.136 1.00 0.00 C ATOM 0 H ALA A 53 -4.931 -5.557 -13.514 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.447 -4.151 -13.231 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.430 -4.299 -15.706 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.881 -3.682 -15.082 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.012 -5.371 -15.629 1.00 0.00 H new ATOM 829 N GLU A 54 -7.350 -7.352 -13.487 1.00 0.00 N ATOM 830 CA GLU A 54 -8.145 -8.570 -13.532 1.00 0.00 C ATOM 831 C GLU A 54 -8.883 -8.789 -12.223 1.00 0.00 C ATOM 832 O GLU A 54 -9.830 -9.571 -12.156 1.00 0.00 O ATOM 833 CB GLU A 54 -7.207 -9.751 -13.754 1.00 0.00 C ATOM 834 CG GLU A 54 -8.012 -10.987 -14.162 1.00 0.00 C ATOM 835 CD GLU A 54 -7.065 -12.131 -14.505 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.889 -12.008 -14.205 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.527 -13.110 -15.066 1.00 0.00 O ATOM 0 H GLU A 54 -6.379 -7.491 -13.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.874 -8.482 -14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.480 -9.508 -14.529 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.645 -9.957 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.676 -11.284 -13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.642 -10.755 -15.021 1.00 0.00 H new ATOM 844 N LEU A 55 -8.431 -8.113 -11.176 1.00 0.00 N ATOM 845 CA LEU A 55 -9.051 -8.266 -9.864 1.00 0.00 C ATOM 846 C LEU A 55 -10.450 -7.668 -9.849 1.00 0.00 C ATOM 847 O LEU A 55 -10.963 -7.246 -10.886 1.00 0.00 O ATOM 848 CB LEU A 55 -8.183 -7.576 -8.822 1.00 0.00 C ATOM 849 CG LEU A 55 -6.814 -8.279 -8.767 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.821 -7.430 -7.963 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.950 -9.674 -8.119 1.00 0.00 C ATOM 0 H LEU A 55 -7.647 -7.461 -11.206 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.136 -9.328 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.056 -6.523 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.665 -7.613 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.444 -8.398 -9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.855 -7.934 -7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.705 -6.457 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.196 -7.295 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.974 -10.157 -8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.335 -9.568 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.638 -10.283 -8.706 1.00 0.00 H new ATOM 863 N ASP A 56 -11.063 -7.629 -8.664 1.00 0.00 N ATOM 864 CA ASP A 56 -12.408 -7.075 -8.534 1.00 0.00 C ATOM 865 C ASP A 56 -12.672 -6.648 -7.077 1.00 0.00 C ATOM 866 O ASP A 56 -11.943 -7.066 -6.179 1.00 0.00 O ATOM 867 CB ASP A 56 -13.435 -8.142 -8.982 1.00 0.00 C ATOM 868 CG ASP A 56 -14.549 -7.518 -9.819 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.233 -6.747 -10.709 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.701 -7.824 -9.557 1.00 0.00 O ATOM 0 H ASP A 56 -10.655 -7.970 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.504 -6.192 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.931 -8.915 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.864 -8.629 -8.106 1.00 0.00 H new ATOM 875 N PRO A 57 -13.700 -5.858 -6.808 1.00 0.00 N ATOM 876 CA PRO A 57 -14.019 -5.438 -5.416 1.00 0.00 C ATOM 877 C PRO A 57 -14.672 -6.591 -4.661 1.00 0.00 C ATOM 878 O PRO A 57 -14.818 -6.556 -3.443 1.00 0.00 O ATOM 879 CB PRO A 57 -14.980 -4.236 -5.564 1.00 0.00 C ATOM 880 CG PRO A 57 -15.181 -4.030 -7.043 1.00 0.00 C ATOM 881 CD PRO A 57 -14.669 -5.286 -7.759 1.00 0.00 C ATOM 0 HA PRO A 57 -13.132 -5.161 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.930 -4.435 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.559 -3.343 -5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.235 -3.864 -7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.640 -3.147 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.479 -5.983 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.199 -5.041 -8.711 1.00 0.00 H new ATOM 889 N ALA A 58 -15.075 -7.605 -5.414 1.00 0.00 N ATOM 890 CA ALA A 58 -15.721 -8.776 -4.834 1.00 0.00 C ATOM 891 C ALA A 58 -14.674 -9.763 -4.324 1.00 0.00 C ATOM 892 O ALA A 58 -15.005 -10.750 -3.667 1.00 0.00 O ATOM 893 CB ALA A 58 -16.591 -9.457 -5.891 1.00 0.00 C ATOM 0 H ALA A 58 -14.966 -7.641 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.342 -8.456 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.073 -10.332 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.352 -8.759 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.969 -9.765 -6.731 1.00 0.00 H new ATOM 899 N LYS A 59 -13.410 -9.496 -4.651 1.00 0.00 N ATOM 900 CA LYS A 59 -12.302 -10.366 -4.246 1.00 0.00 C ATOM 901 C LYS A 59 -11.345 -9.636 -3.304 1.00 0.00 C ATOM 902 O LYS A 59 -10.128 -9.708 -3.472 1.00 0.00 O ATOM 903 CB LYS A 59 -11.543 -10.814 -5.495 1.00 0.00 C ATOM 904 CG LYS A 59 -12.462 -11.668 -6.369 1.00 0.00 C ATOM 905 CD LYS A 59 -11.718 -12.077 -7.639 1.00 0.00 C ATOM 906 CE LYS A 59 -12.664 -12.847 -8.563 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.147 -14.077 -7.874 1.00 0.00 N ATOM 0 H LYS A 59 -13.126 -8.682 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.708 -11.228 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.196 -9.945 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.659 -11.385 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.783 -12.554 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.362 -11.108 -6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.335 -11.193 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.858 -12.696 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.510 -12.218 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.149 -13.114 -9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.112 -14.881 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.540 -14.276 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.126 -13.934 -7.554 1.00 0.00 H new ATOM 921 N ARG A 60 -11.898 -8.928 -2.322 1.00 0.00 N ATOM 922 CA ARG A 60 -11.071 -8.182 -1.370 1.00 0.00 C ATOM 923 C ARG A 60 -10.203 -9.102 -0.510 1.00 0.00 C ATOM 924 O ARG A 60 -9.013 -8.848 -0.334 1.00 0.00 O ATOM 925 CB ARG A 60 -11.968 -7.333 -0.463 1.00 0.00 C ATOM 926 CG ARG A 60 -12.508 -6.140 -1.248 1.00 0.00 C ATOM 927 CD ARG A 60 -13.571 -5.416 -0.424 1.00 0.00 C ATOM 928 NE ARG A 60 -14.770 -6.241 -0.326 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.719 -5.978 0.567 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.249 -4.787 0.626 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.119 -6.912 1.384 1.00 0.00 N ATOM 0 H ARG A 60 -12.903 -8.854 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.403 -7.544 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.794 -7.936 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.403 -6.986 0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.695 -5.456 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.935 -6.478 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.186 -5.199 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.814 -4.460 -0.887 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.883 -7.036 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.935 -4.057 -0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.977 -4.586 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.704 -7.843 1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.847 -6.712 2.070 1.00 0.00 H new ATOM 945 N ARG A 61 -10.800 -10.158 0.038 1.00 0.00 N ATOM 946 CA ARG A 61 -10.053 -11.074 0.900 1.00 0.00 C ATOM 947 C ARG A 61 -8.790 -11.544 0.192 1.00 0.00 C ATOM 948 O ARG A 61 -7.695 -11.545 0.765 1.00 0.00 O ATOM 949 CB ARG A 61 -10.906 -12.299 1.227 1.00 0.00 C ATOM 950 CG ARG A 61 -12.150 -11.883 2.016 1.00 0.00 C ATOM 951 CD ARG A 61 -12.948 -13.133 2.403 1.00 0.00 C ATOM 952 NE ARG A 61 -13.405 -13.838 1.207 1.00 0.00 N ATOM 953 CZ ARG A 61 -14.520 -13.487 0.574 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.607 -12.319 -0.001 1.00 0.00 N ATOM 955 NH2 ARG A 61 -15.526 -14.318 0.518 1.00 0.00 N ATOM 0 H ARG A 61 -11.782 -10.399 -0.095 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.792 -10.546 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.202 -12.801 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.322 -13.014 1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.860 -11.332 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.768 -11.215 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.328 -13.795 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.804 -12.850 3.015 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.855 -14.619 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.818 -11.673 0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.464 -12.052 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.455 -15.235 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.382 -14.050 0.033 1.00 0.00 H new ATOM 969 N HIS A 62 -8.955 -11.932 -1.062 1.00 0.00 N ATOM 970 CA HIS A 62 -7.842 -12.398 -1.867 1.00 0.00 C ATOM 971 C HIS A 62 -6.882 -11.254 -2.149 1.00 0.00 C ATOM 972 O HIS A 62 -5.671 -11.446 -2.220 1.00 0.00 O ATOM 973 CB HIS A 62 -8.370 -12.961 -3.184 1.00 0.00 C ATOM 974 CG HIS A 62 -9.026 -14.292 -2.936 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.307 -15.412 -2.543 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.335 -14.696 -3.014 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.181 -16.426 -2.402 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.432 -16.043 -2.676 1.00 0.00 N ATOM 0 H HIS A 62 -9.854 -11.933 -1.545 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.310 -13.177 -1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.086 -12.268 -3.627 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.553 -13.074 -3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.165 -14.064 -3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.905 -17.427 -2.104 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.276 -16.615 -2.644 1.00 0.00 H new ATOM 986 N ASN A 63 -7.438 -10.063 -2.305 1.00 0.00 N ATOM 987 CA ASN A 63 -6.628 -8.886 -2.583 1.00 0.00 C ATOM 988 C ASN A 63 -5.649 -8.615 -1.444 1.00 0.00 C ATOM 989 O ASN A 63 -4.479 -8.312 -1.685 1.00 0.00 O ATOM 990 CB ASN A 63 -7.538 -7.669 -2.776 1.00 0.00 C ATOM 991 CG ASN A 63 -6.799 -6.583 -3.551 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.119 -6.875 -4.534 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.886 -5.343 -3.164 1.00 0.00 N ATOM 0 H ASN A 63 -8.441 -9.885 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.057 -9.069 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.440 -7.961 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.855 -7.284 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.390 -4.613 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.450 -5.101 -2.349 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.121 -8.742 -0.206 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.244 -8.520 0.941 1.00 0.00 C ATOM 1002 C PHE A 64 -4.176 -9.611 0.986 1.00 0.00 C ATOM 1003 O PHE A 64 -2.981 -9.321 0.982 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.051 -8.512 2.249 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.806 -7.207 2.382 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.124 -6.045 2.768 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.179 -7.152 2.112 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.813 -4.833 2.879 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.867 -5.938 2.229 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.183 -4.779 2.611 1.00 0.00 C ATOM 0 H PHE A 64 -7.082 -8.991 0.026 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.763 -7.548 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.749 -9.349 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.382 -8.643 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.066 -6.086 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.707 -8.046 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.285 -3.938 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.927 -5.896 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.714 -3.843 2.699 1.00 0.00 H new ATOM 1020 N THR A 65 -4.617 -10.867 1.010 1.00 0.00 N ATOM 1021 CA THR A 65 -3.676 -11.985 1.041 1.00 0.00 C ATOM 1022 C THR A 65 -2.691 -11.858 -0.111 1.00 0.00 C ATOM 1023 O THR A 65 -1.491 -12.081 0.051 1.00 0.00 O ATOM 1024 CB THR A 65 -4.413 -13.322 0.928 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.493 -13.351 1.848 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.443 -14.463 1.238 1.00 0.00 C ATOM 0 H THR A 65 -5.601 -11.134 1.009 1.00 0.00 H new ATOM 0 HA THR A 65 -3.143 -11.957 1.992 1.00 0.00 H new ATOM 0 HB THR A 65 -4.801 -13.439 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.272 -12.908 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.965 -15.416 1.158 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.617 -14.441 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.055 -14.346 2.250 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.213 -11.499 -1.275 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.387 -11.340 -2.464 1.00 0.00 C ATOM 1036 C LEU A 66 -1.336 -10.257 -2.254 1.00 0.00 C ATOM 1037 O LEU A 66 -0.159 -10.467 -2.535 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.292 -10.961 -3.637 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.481 -10.735 -4.920 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.744 -12.022 -5.318 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.447 -10.327 -6.037 1.00 0.00 C ATOM 0 H LEU A 66 -4.205 -11.312 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.870 -12.277 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.025 -11.750 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.848 -10.056 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.741 -9.952 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.173 -11.847 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.067 -12.316 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.469 -12.818 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.889 -10.162 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.178 -11.120 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.962 -9.409 -5.755 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.757 -9.098 -1.762 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.820 -8.011 -1.539 1.00 0.00 C ATOM 1055 C ALA A 67 0.262 -8.440 -0.563 1.00 0.00 C ATOM 1056 O ALA A 67 1.435 -8.091 -0.724 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.543 -6.783 -0.989 1.00 0.00 C ATOM 0 H ALA A 67 -2.725 -8.891 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.363 -7.756 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.824 -5.979 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.299 -6.456 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.022 -7.036 -0.043 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.132 -9.203 0.447 1.00 0.00 N ATOM 1064 CA PHE A 68 0.823 -9.674 1.439 1.00 0.00 C ATOM 1065 C PHE A 68 1.614 -10.867 0.910 1.00 0.00 C ATOM 1066 O PHE A 68 2.833 -10.912 1.031 1.00 0.00 O ATOM 1067 CB PHE A 68 0.094 -10.052 2.733 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.546 -8.816 3.345 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.248 -7.723 3.732 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.935 -8.761 3.522 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.350 -6.585 4.288 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.529 -7.621 4.082 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.738 -6.533 4.463 1.00 0.00 C ATOM 0 H PHE A 68 -1.094 -9.506 0.600 1.00 0.00 H new ATOM 0 HA PHE A 68 1.525 -8.867 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.669 -10.802 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.795 -10.497 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.319 -7.760 3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.549 -9.599 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.262 -5.745 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.600 -7.583 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.197 -5.654 4.891 1.00 0.00 H new ATOM 1083 N SER A 69 0.917 -11.831 0.322 1.00 0.00 N ATOM 1084 CA SER A 69 1.585 -13.014 -0.210 1.00 0.00 C ATOM 1085 C SER A 69 2.540 -12.642 -1.342 1.00 0.00 C ATOM 1086 O SER A 69 3.565 -13.294 -1.536 1.00 0.00 O ATOM 1087 CB SER A 69 0.554 -14.019 -0.726 1.00 0.00 C ATOM 1088 OG SER A 69 1.226 -15.189 -1.177 1.00 0.00 O ATOM 0 H SER A 69 -0.096 -11.820 0.202 1.00 0.00 H new ATOM 0 HA SER A 69 2.159 -13.464 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.152 -14.273 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.023 -13.580 -1.540 1.00 0.00 H new ATOM 0 HG SER A 69 0.569 -15.837 -1.507 1.00 0.00 H new ATOM 1094 N THR A 70 2.221 -11.574 -2.067 1.00 0.00 N ATOM 1095 CA THR A 70 3.092 -11.121 -3.147 1.00 0.00 C ATOM 1096 C THR A 70 4.310 -10.399 -2.576 1.00 0.00 C ATOM 1097 O THR A 70 5.445 -10.659 -2.977 1.00 0.00 O ATOM 1098 CB THR A 70 2.334 -10.188 -4.096 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.106 -10.795 -4.474 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.174 -9.925 -5.353 1.00 0.00 C ATOM 0 H THR A 70 1.380 -11.014 -1.930 1.00 0.00 H new ATOM 0 HA THR A 70 3.425 -11.995 -3.707 1.00 0.00 H new ATOM 0 HB THR A 70 2.139 -9.244 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.374 -10.406 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.628 -9.261 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.118 -9.459 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.374 -10.868 -5.861 1.00 0.00 H new ATOM 1108 N ALA A 71 4.057 -9.483 -1.645 1.00 0.00 N ATOM 1109 CA ALA A 71 5.132 -8.715 -1.029 1.00 0.00 C ATOM 1110 C ALA A 71 6.073 -9.627 -0.245 1.00 0.00 C ATOM 1111 O ALA A 71 7.282 -9.392 -0.203 1.00 0.00 O ATOM 1112 CB ALA A 71 4.546 -7.646 -0.099 1.00 0.00 C ATOM 0 H ALA A 71 3.123 -9.256 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 71 5.703 -8.230 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.356 -7.077 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.909 -6.974 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.956 -8.127 0.681 1.00 0.00 H new ATOM 1118 N GLU A 72 5.522 -10.668 0.368 1.00 0.00 N ATOM 1119 CA GLU A 72 6.337 -11.600 1.133 1.00 0.00 C ATOM 1120 C GLU A 72 7.191 -12.465 0.210 1.00 0.00 C ATOM 1121 O GLU A 72 8.395 -12.605 0.412 1.00 0.00 O ATOM 1122 CB GLU A 72 5.445 -12.488 2.002 1.00 0.00 C ATOM 1123 CG GLU A 72 4.851 -11.659 3.143 1.00 0.00 C ATOM 1124 CD GLU A 72 3.839 -12.498 3.913 1.00 0.00 C ATOM 1125 OE1 GLU A 72 3.723 -13.674 3.609 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.195 -11.955 4.794 1.00 0.00 O ATOM 0 H GLU A 72 4.526 -10.886 0.350 1.00 0.00 H new ATOM 0 HA GLU A 72 7.003 -11.022 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.646 -12.920 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.024 -13.318 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.643 -11.323 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.370 -10.766 2.744 1.00 0.00 H new ATOM 1133 N LYS A 73 6.572 -13.059 -0.801 1.00 0.00 N ATOM 1134 CA LYS A 73 7.325 -13.912 -1.711 1.00 0.00 C ATOM 1135 C LYS A 73 8.425 -13.123 -2.414 1.00 0.00 C ATOM 1136 O LYS A 73 9.533 -13.625 -2.603 1.00 0.00 O ATOM 1137 CB LYS A 73 6.392 -14.533 -2.749 1.00 0.00 C ATOM 1138 CG LYS A 73 5.508 -15.591 -2.083 1.00 0.00 C ATOM 1139 CD LYS A 73 4.536 -16.152 -3.123 1.00 0.00 C ATOM 1140 CE LYS A 73 3.580 -17.141 -2.455 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.337 -18.341 -1.998 1.00 0.00 N ATOM 0 H LYS A 73 5.577 -12.971 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 73 7.788 -14.705 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.771 -13.760 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.975 -14.985 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.123 -16.391 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.958 -15.152 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.972 -15.340 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.089 -16.648 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.085 -16.667 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.799 -17.437 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.670 -19.104 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.975 -18.659 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.895 -18.099 -1.155 1.00 0.00 H new ATOM 1155 N LEU A 74 8.110 -11.900 -2.824 1.00 0.00 N ATOM 1156 CA LEU A 74 9.077 -11.073 -3.529 1.00 0.00 C ATOM 1157 C LEU A 74 10.083 -10.392 -2.598 1.00 0.00 C ATOM 1158 O LEU A 74 11.265 -10.333 -2.922 1.00 0.00 O ATOM 1159 CB LEU A 74 8.348 -9.999 -4.337 1.00 0.00 C ATOM 1160 CG LEU A 74 7.507 -10.637 -5.452 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.739 -9.533 -6.186 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.413 -11.393 -6.448 1.00 0.00 C ATOM 0 H LEU A 74 7.199 -11.463 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 74 9.637 -11.742 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.705 -9.415 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.072 -9.309 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 74 6.809 -11.350 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.138 -9.975 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.087 -9.014 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.445 -8.823 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.800 -11.839 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.123 -10.697 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.957 -12.178 -5.922 1.00 0.00 H new ATOM 1174 N ALA A 75 9.619 -9.835 -1.471 1.00 0.00 N ATOM 1175 CA ALA A 75 10.526 -9.114 -0.555 1.00 0.00 C ATOM 1176 C ALA A 75 10.473 -9.637 0.882 1.00 0.00 C ATOM 1177 O ALA A 75 11.065 -9.025 1.772 1.00 0.00 O ATOM 1178 CB ALA A 75 10.162 -7.625 -0.548 1.00 0.00 C ATOM 0 H ALA A 75 8.644 -9.865 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 75 11.539 -9.276 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.830 -7.090 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.264 -7.221 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.132 -7.504 -0.211 1.00 0.00 H new ATOM 1184 N ASP A 76 9.782 -10.751 1.128 1.00 0.00 N ATOM 1185 CA ASP A 76 9.713 -11.281 2.495 1.00 0.00 C ATOM 1186 C ASP A 76 9.410 -10.145 3.473 1.00 0.00 C ATOM 1187 O ASP A 76 9.988 -10.069 4.557 1.00 0.00 O ATOM 1188 CB ASP A 76 11.045 -11.941 2.857 1.00 0.00 C ATOM 1189 CG ASP A 76 10.881 -12.819 4.095 1.00 0.00 C ATOM 1190 OD1 ASP A 76 9.800 -13.350 4.285 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.845 -12.952 4.828 1.00 0.00 O ATOM 0 H ASP A 76 9.276 -11.291 0.426 1.00 0.00 H new ATOM 0 HA ASP A 76 8.918 -12.024 2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.400 -12.543 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.799 -11.176 3.042 1.00 0.00 H new ATOM 1196 N CYS A 77 8.519 -9.251 3.054 1.00 0.00 N ATOM 1197 CA CYS A 77 8.142 -8.089 3.856 1.00 0.00 C ATOM 1198 C CYS A 77 7.747 -8.466 5.285 1.00 0.00 C ATOM 1199 O CYS A 77 8.018 -9.569 5.757 1.00 0.00 O ATOM 1200 CB CYS A 77 6.976 -7.365 3.173 1.00 0.00 C ATOM 1201 SG CYS A 77 6.966 -5.625 3.672 1.00 0.00 S ATOM 0 H CYS A 77 8.040 -9.310 2.155 1.00 0.00 H new ATOM 0 HA CYS A 77 9.013 -7.437 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.071 -7.443 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.032 -7.837 3.445 1.00 0.00 H new ATOM 0 HG CYS A 77 7.896 -5.422 4.558 1.00 0.00 H new ATOM 1207 N ALA A 78 7.093 -7.518 5.954 1.00 0.00 N ATOM 1208 CA ALA A 78 6.638 -7.708 7.328 1.00 0.00 C ATOM 1209 C ALA A 78 5.242 -8.327 7.348 1.00 0.00 C ATOM 1210 O ALA A 78 4.586 -8.437 6.312 1.00 0.00 O ATOM 1211 CB ALA A 78 6.619 -6.361 8.061 1.00 0.00 C ATOM 0 H ALA A 78 6.866 -6.604 5.562 1.00 0.00 H new ATOM 0 HA ALA A 78 7.328 -8.384 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.279 -6.509 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.623 -5.937 8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.942 -5.678 7.549 1.00 0.00 H new ATOM 1217 N GLN A 79 4.795 -8.725 8.538 1.00 0.00 N ATOM 1218 CA GLN A 79 3.471 -9.334 8.706 1.00 0.00 C ATOM 1219 C GLN A 79 2.709 -8.613 9.810 1.00 0.00 C ATOM 1220 O GLN A 79 2.054 -9.238 10.642 1.00 0.00 O ATOM 1221 CB GLN A 79 3.627 -10.804 9.081 1.00 0.00 C ATOM 1222 CG GLN A 79 4.234 -11.561 7.905 1.00 0.00 C ATOM 1223 CD GLN A 79 4.524 -13.003 8.313 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.347 -13.243 9.196 1.00 0.00 O ATOM 1225 NE2 GLN A 79 3.894 -13.981 7.723 1.00 0.00 N ATOM 0 H GLN A 79 5.329 -8.638 9.403 1.00 0.00 H new ATOM 0 HA GLN A 79 2.919 -9.252 7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.265 -10.902 9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.658 -11.230 9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.549 -11.544 7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.153 -11.073 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.212 -13.781 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.083 -14.946 7.993 1.00 0.00 H new ATOM 1234 N LEU A 80 2.824 -7.294 9.817 1.00 0.00 N ATOM 1235 CA LEU A 80 2.166 -6.473 10.828 1.00 0.00 C ATOM 1236 C LEU A 80 0.651 -6.512 10.680 1.00 0.00 C ATOM 1237 O LEU A 80 -0.076 -6.287 11.647 1.00 0.00 O ATOM 1238 CB LEU A 80 2.611 -5.014 10.700 1.00 0.00 C ATOM 1239 CG LEU A 80 4.126 -4.924 10.538 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.534 -3.455 10.559 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.827 -5.666 11.672 1.00 0.00 C ATOM 0 H LEU A 80 3.367 -6.766 9.134 1.00 0.00 H new ATOM 0 HA LEU A 80 2.448 -6.879 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.121 -4.553 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.301 -4.455 11.583 1.00 0.00 H new ATOM 0 HG LEU A 80 4.417 -5.382 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.615 -3.376 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.043 -2.929 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.236 -3.008 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.907 -5.593 11.542 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.545 -5.222 12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.530 -6.715 11.659 1.00 0.00 H new ATOM 1253 N LEU A 81 0.174 -6.760 9.461 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.274 -6.778 9.197 1.00 0.00 C ATOM 1255 C LEU A 81 -1.751 -8.157 8.733 1.00 0.00 C ATOM 1256 O LEU A 81 -1.083 -8.835 7.952 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.617 -5.754 8.106 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.798 -4.469 8.289 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.115 -3.513 7.145 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.144 -3.784 9.613 1.00 0.00 C ATOM 0 H LEU A 81 0.757 -6.950 8.646 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.777 -6.530 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.417 -6.182 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.681 -5.521 8.141 1.00 0.00 H new ATOM 0 HG LEU A 81 0.261 -4.729 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.538 -2.596 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.856 -3.982 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.179 -3.275 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.550 -2.876 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.204 -3.528 9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.925 -4.459 10.440 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.931 -8.544 9.218 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.540 -9.831 8.856 1.00 0.00 C ATOM 1274 C GLU A 82 -4.745 -9.608 7.945 1.00 0.00 C ATOM 1275 O GLU A 82 -5.484 -8.639 8.106 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.972 -10.573 10.119 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.730 -10.998 10.902 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.137 -11.662 12.214 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.324 -11.861 12.411 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.253 -11.966 12.998 1.00 0.00 O ATOM 0 H GLU A 82 -3.488 -7.985 9.864 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.804 -10.432 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.603 -9.931 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.567 -11.447 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.134 -11.689 10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.104 -10.129 11.104 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.924 -10.502 6.973 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.021 -10.388 6.017 1.00 0.00 C ATOM 1289 C VAL A 83 -7.379 -10.392 6.715 1.00 0.00 C ATOM 1290 O VAL A 83 -8.212 -9.516 6.476 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.944 -11.584 5.055 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.189 -11.625 4.145 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.662 -11.484 4.213 1.00 0.00 C ATOM 0 H VAL A 83 -4.322 -11.313 6.828 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.925 -9.443 5.482 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.918 -12.507 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.118 -12.478 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.085 -11.721 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.245 -10.705 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.608 -12.332 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.675 -10.557 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.793 -11.491 4.871 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.601 -11.387 7.557 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.871 -11.506 8.260 1.00 0.00 C ATOM 1305 C ASP A 84 -9.193 -10.229 9.030 1.00 0.00 C ATOM 1306 O ASP A 84 -10.316 -9.729 8.972 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.819 -12.690 9.225 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.515 -12.653 10.013 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -6.469 -12.717 9.388 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -7.581 -12.553 11.226 1.00 0.00 O ATOM 0 H ASP A 84 -6.925 -12.120 7.771 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.656 -11.669 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.668 -12.653 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.894 -13.626 8.672 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.212 -9.704 9.753 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.425 -8.487 10.523 1.00 0.00 C ATOM 1317 C ASP A 85 -8.786 -7.325 9.603 1.00 0.00 C ATOM 1318 O ASP A 85 -9.696 -6.549 9.897 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.164 -8.139 11.312 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.971 -9.129 12.455 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.889 -9.888 12.717 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.905 -9.116 13.048 1.00 0.00 O ATOM 0 H ASP A 85 -7.273 -10.096 9.822 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.250 -8.659 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.296 -8.159 10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.241 -7.126 11.707 1.00 0.00 H new ATOM 1327 N MET A 86 -8.075 -7.214 8.481 1.00 0.00 N ATOM 1328 CA MET A 86 -8.339 -6.145 7.524 1.00 0.00 C ATOM 1329 C MET A 86 -9.752 -6.296 6.976 1.00 0.00 C ATOM 1330 O MET A 86 -10.482 -5.320 6.812 1.00 0.00 O ATOM 1331 CB MET A 86 -7.344 -6.224 6.349 1.00 0.00 C ATOM 1332 CG MET A 86 -5.931 -5.752 6.775 1.00 0.00 C ATOM 1333 SD MET A 86 -5.182 -4.791 5.440 1.00 0.00 S ATOM 1334 CE MET A 86 -5.826 -3.182 5.951 1.00 0.00 C ATOM 0 H MET A 86 -7.319 -7.846 8.216 1.00 0.00 H new ATOM 0 HA MET A 86 -8.229 -5.186 8.030 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.292 -7.249 5.982 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.702 -5.608 5.524 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.996 -5.147 7.679 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.306 -6.613 7.012 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.915 -2.532 5.080 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.807 -3.311 6.409 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.145 -2.730 6.673 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.120 -7.539 6.693 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.438 -7.850 6.158 1.00 0.00 C ATOM 1346 C VAL A 87 -12.528 -7.577 7.191 1.00 0.00 C ATOM 1347 O VAL A 87 -13.578 -7.026 6.861 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.482 -9.322 5.727 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.913 -9.713 5.332 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.542 -9.533 4.530 1.00 0.00 C ATOM 0 H VAL A 87 -9.519 -8.353 6.826 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.622 -7.209 5.295 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.160 -9.947 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.933 -10.759 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.578 -9.570 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.245 -9.088 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.573 -10.578 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.862 -8.902 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.524 -9.268 4.816 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.284 -7.975 8.436 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.263 -7.773 9.495 1.00 0.00 C ATOM 1362 C ARG A 88 -13.350 -6.307 9.904 1.00 0.00 C ATOM 1363 O ARG A 88 -14.442 -5.758 10.048 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.864 -8.609 10.710 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.068 -10.090 10.392 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.596 -10.936 11.574 1.00 0.00 C ATOM 1367 NE ARG A 88 -12.789 -12.356 11.287 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.912 -12.990 11.625 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -15.073 -12.426 11.421 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.849 -14.179 12.157 1.00 0.00 N ATOM 0 H ARG A 88 -11.424 -8.435 8.733 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.239 -8.080 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.822 -8.421 10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.464 -8.325 11.575 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.120 -10.287 10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.513 -10.360 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.543 -10.738 11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.149 -10.660 12.472 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.047 -12.874 10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.122 -11.497 11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.930 -12.914 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.943 -14.621 12.313 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.706 -14.667 12.417 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.195 -5.680 10.102 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.169 -4.281 10.508 1.00 0.00 C ATOM 1386 C LEU A 89 -12.753 -3.398 9.413 1.00 0.00 C ATOM 1387 O LEU A 89 -13.615 -2.561 9.669 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.726 -3.845 10.787 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.169 -4.566 12.026 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.652 -4.357 12.074 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.805 -4.005 13.312 1.00 0.00 C ATOM 0 H LEU A 89 -11.278 -6.111 9.990 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.768 -4.174 11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.101 -4.064 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.690 -2.767 10.941 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.405 -5.628 11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.242 -4.863 12.948 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.199 -4.768 11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.433 -3.291 12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.398 -4.528 14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.583 -2.941 13.394 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.885 -4.148 13.276 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.236 -3.560 8.199 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.684 -2.730 7.091 1.00 0.00 C ATOM 1405 C ALA A 90 -12.410 -1.279 7.464 1.00 0.00 C ATOM 1406 O ALA A 90 -13.044 -0.351 6.964 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.182 -2.937 6.847 1.00 0.00 C ATOM 0 H ALA A 90 -11.519 -4.246 7.962 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.155 -2.997 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.505 -2.311 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.370 -3.984 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.738 -2.664 7.744 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.436 -1.130 8.355 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.006 0.172 8.855 1.00 0.00 C ATOM 1415 C VAL A 91 -9.619 0.038 9.495 1.00 0.00 C ATOM 1416 O VAL A 91 -9.516 -0.206 10.697 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.991 0.701 9.915 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.413 1.967 10.572 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.338 1.039 9.259 1.00 0.00 C ATOM 0 H VAL A 91 -10.919 -1.914 8.754 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.974 0.870 8.018 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.143 -0.068 10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.112 2.339 11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.463 1.728 11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.255 2.732 9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.028 1.412 10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.189 1.803 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.754 0.142 8.799 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.561 0.185 8.737 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.183 0.078 9.285 1.00 0.00 C ATOM 1431 C PRO A 92 -6.829 1.293 10.138 1.00 0.00 C ATOM 1432 O PRO A 92 -7.695 2.096 10.487 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.265 -0.027 8.046 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.161 0.025 6.834 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.556 0.463 7.297 1.00 0.00 C ATOM 0 HA PRO A 92 -7.074 -0.784 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.544 0.790 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.694 -0.955 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.766 0.725 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.208 -0.952 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.729 1.520 7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.339 -0.093 6.781 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.545 1.423 10.457 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.064 2.548 11.261 1.00 0.00 C ATOM 1445 C ASP A 93 -3.897 3.232 10.559 1.00 0.00 C ATOM 1446 O ASP A 93 -2.975 2.577 10.074 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.626 2.059 12.645 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.555 3.229 13.622 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.413 4.351 13.164 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.642 2.984 14.814 1.00 0.00 O ATOM 0 H ASP A 93 -4.818 0.766 10.173 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.876 3.265 11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.328 1.311 13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.652 1.575 12.576 1.00 0.00 H new ATOM 1455 N SER A 94 -3.962 4.551 10.496 1.00 0.00 N ATOM 1456 CA SER A 94 -2.924 5.331 9.832 1.00 0.00 C ATOM 1457 C SER A 94 -1.540 4.914 10.312 1.00 0.00 C ATOM 1458 O SER A 94 -0.571 4.963 9.552 1.00 0.00 O ATOM 1459 CB SER A 94 -3.139 6.821 10.107 1.00 0.00 C ATOM 1460 OG SER A 94 -2.433 7.583 9.137 1.00 0.00 O ATOM 0 H SER A 94 -4.719 5.106 10.895 1.00 0.00 H new ATOM 0 HA SER A 94 -2.988 5.145 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.202 7.060 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.790 7.072 11.109 1.00 0.00 H new ATOM 0 HG SER A 94 -2.569 8.538 9.309 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.446 4.500 11.569 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.168 4.075 12.123 1.00 0.00 C ATOM 1468 C LYS A 95 0.178 2.662 11.651 1.00 0.00 C ATOM 1469 O LYS A 95 1.348 2.329 11.465 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.227 4.117 13.652 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.104 2.971 14.163 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.480 3.208 15.627 1.00 0.00 C ATOM 1473 CE LYS A 95 -0.234 3.095 16.505 1.00 0.00 C ATOM 1474 NZ LYS A 95 -0.641 3.062 17.937 1.00 0.00 N ATOM 0 H LYS A 95 -2.231 4.450 12.218 1.00 0.00 H new ATOM 0 HA LYS A 95 0.609 4.756 11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.777 4.033 14.067 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.630 5.073 13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.006 2.895 13.556 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.572 2.024 14.065 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.929 4.195 15.742 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.226 2.479 15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.322 2.192 16.252 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.430 3.940 16.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.205 2.985 18.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.154 3.936 18.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.259 2.242 18.103 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.850 1.837 11.457 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.651 0.460 11.003 1.00 0.00 C ATOM 1490 C CYS A 96 -0.134 0.445 9.564 1.00 0.00 C ATOM 1491 O CYS A 96 0.895 -0.165 9.270 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.981 -0.299 11.100 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.234 -0.850 12.807 1.00 0.00 S ATOM 0 H CYS A 96 -1.825 2.096 11.606 1.00 0.00 H new ATOM 0 HA CYS A 96 0.091 -0.027 11.636 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.804 0.345 10.788 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.974 -1.156 10.427 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.361 -1.492 12.893 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.841 1.138 8.677 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.432 1.217 7.280 1.00 0.00 C ATOM 1501 C VAL A 97 0.936 1.881 7.192 1.00 0.00 C ATOM 1502 O VAL A 97 1.811 1.433 6.457 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.446 2.035 6.473 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.954 2.178 5.033 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.804 1.327 6.482 1.00 0.00 C ATOM 0 H VAL A 97 -1.695 1.650 8.899 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.383 0.209 6.868 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.552 3.023 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.675 2.760 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.010 2.686 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.846 1.190 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.523 1.911 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.701 0.338 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.156 1.228 7.509 1.00 0.00 H new ATOM 1515 N TYR A 98 1.108 2.950 7.962 1.00 0.00 N ATOM 1516 CA TYR A 98 2.366 3.682 7.979 1.00 0.00 C ATOM 1517 C TYR A 98 3.509 2.757 8.368 1.00 0.00 C ATOM 1518 O TYR A 98 4.536 2.707 7.695 1.00 0.00 O ATOM 1519 CB TYR A 98 2.272 4.820 9.003 1.00 0.00 C ATOM 1520 CG TYR A 98 3.612 5.505 9.142 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.618 4.921 9.924 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.848 6.717 8.487 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.861 5.549 10.044 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.095 7.347 8.612 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.101 6.760 9.387 1.00 0.00 C ATOM 1526 OH TYR A 98 7.332 7.374 9.501 1.00 0.00 O ATOM 0 H TYR A 98 0.391 3.328 8.582 1.00 0.00 H new ATOM 0 HA TYR A 98 2.556 4.085 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.517 5.541 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.954 4.426 9.968 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.433 3.987 10.433 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.072 7.167 7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.637 5.098 10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.279 8.285 8.110 1.00 0.00 H new ATOM 0 HH TYR A 98 7.332 8.205 8.982 1.00 0.00 H new ATOM 1536 N THR A 99 3.326 2.038 9.467 1.00 0.00 N ATOM 1537 CA THR A 99 4.357 1.131 9.942 1.00 0.00 C ATOM 1538 C THR A 99 4.681 0.110 8.868 1.00 0.00 C ATOM 1539 O THR A 99 5.851 -0.169 8.596 1.00 0.00 O ATOM 1540 CB THR A 99 3.892 0.414 11.213 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.384 1.368 12.132 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.072 -0.321 11.849 1.00 0.00 C ATOM 0 H THR A 99 2.482 2.065 10.040 1.00 0.00 H new ATOM 0 HA THR A 99 5.252 1.710 10.172 1.00 0.00 H new ATOM 0 HB THR A 99 3.112 -0.303 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.411 1.434 12.031 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.739 -0.830 12.753 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.467 -1.053 11.145 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.853 0.396 12.103 1.00 0.00 H new ATOM 1550 N TYR A 100 3.646 -0.436 8.242 1.00 0.00 N ATOM 1551 CA TYR A 100 3.833 -1.413 7.184 1.00 0.00 C ATOM 1552 C TYR A 100 4.580 -0.778 6.016 1.00 0.00 C ATOM 1553 O TYR A 100 5.560 -1.324 5.512 1.00 0.00 O ATOM 1554 CB TYR A 100 2.467 -1.878 6.696 1.00 0.00 C ATOM 1555 CG TYR A 100 2.647 -3.054 5.774 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.897 -2.841 4.417 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.559 -4.355 6.276 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.061 -3.933 3.556 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.722 -5.448 5.419 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.973 -5.237 4.058 1.00 0.00 C ATOM 1561 OH TYR A 100 3.134 -6.315 3.212 1.00 0.00 O ATOM 0 H TYR A 100 2.672 -0.218 8.450 1.00 0.00 H new ATOM 0 HA TYR A 100 4.408 -2.255 7.568 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.840 -2.157 7.543 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.958 -1.067 6.176 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.964 -1.834 4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.365 -4.517 7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.255 -3.770 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.654 -6.454 5.807 1.00 0.00 H new ATOM 0 HH TYR A 100 3.283 -7.126 3.741 1.00 0.00 H new ATOM 1571 N ILE A 101 4.091 0.387 5.594 1.00 0.00 N ATOM 1572 CA ILE A 101 4.691 1.116 4.484 1.00 0.00 C ATOM 1573 C ILE A 101 6.132 1.454 4.838 1.00 0.00 C ATOM 1574 O ILE A 101 7.032 1.348 4.008 1.00 0.00 O ATOM 1575 CB ILE A 101 3.895 2.404 4.201 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.500 2.046 3.637 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.654 3.290 3.203 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.555 1.700 2.134 1.00 0.00 C ATOM 0 H ILE A 101 3.279 0.845 6.007 1.00 0.00 H new ATOM 0 HA ILE A 101 4.671 0.498 3.586 1.00 0.00 H new ATOM 0 HB ILE A 101 3.772 2.955 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.092 1.199 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.821 2.884 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.080 4.197 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.626 3.556 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.796 2.747 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.554 1.455 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.937 2.556 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.213 0.845 1.981 1.00 0.00 H new ATOM 1590 N GLN A 102 6.332 1.849 6.085 1.00 0.00 N ATOM 1591 CA GLN A 102 7.662 2.191 6.567 1.00 0.00 C ATOM 1592 C GLN A 102 8.649 1.079 6.230 1.00 0.00 C ATOM 1593 O GLN A 102 9.619 1.294 5.501 1.00 0.00 O ATOM 1594 CB GLN A 102 7.633 2.383 8.083 1.00 0.00 C ATOM 1595 CG GLN A 102 8.898 3.120 8.527 1.00 0.00 C ATOM 1596 CD GLN A 102 8.898 3.288 10.041 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.893 4.411 10.542 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.904 2.229 10.803 1.00 0.00 N ATOM 0 H GLN A 102 5.592 1.941 6.781 1.00 0.00 H new ATOM 0 HA GLN A 102 7.977 3.115 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.748 2.950 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.568 1.416 8.582 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.782 2.564 8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.949 4.096 8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.908 1.299 10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.905 2.331 11.818 1.00 0.00 H new ATOM 1607 N GLU A 103 8.407 -0.111 6.783 1.00 0.00 N ATOM 1608 CA GLU A 103 9.301 -1.238 6.543 1.00 0.00 C ATOM 1609 C GLU A 103 9.403 -1.521 5.047 1.00 0.00 C ATOM 1610 O GLU A 103 10.496 -1.706 4.510 1.00 0.00 O ATOM 1611 CB GLU A 103 8.783 -2.483 7.265 1.00 0.00 C ATOM 1612 CG GLU A 103 9.862 -3.571 7.248 1.00 0.00 C ATOM 1613 CD GLU A 103 10.991 -3.199 8.204 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.845 -2.211 8.905 1.00 0.00 O ATOM 1615 OE2 GLU A 103 11.981 -3.910 8.224 1.00 0.00 O ATOM 0 H GLU A 103 7.613 -0.315 7.390 1.00 0.00 H new ATOM 0 HA GLU A 103 10.289 -0.985 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.517 -2.236 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.877 -2.847 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.429 -4.529 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.254 -3.691 6.238 1.00 0.00 H new ATOM 1622 N LEU A 104 8.252 -1.562 4.384 1.00 0.00 N ATOM 1623 CA LEU A 104 8.198 -1.836 2.954 1.00 0.00 C ATOM 1624 C LEU A 104 8.970 -0.785 2.177 1.00 0.00 C ATOM 1625 O LEU A 104 9.740 -1.103 1.276 1.00 0.00 O ATOM 1626 CB LEU A 104 6.733 -1.787 2.519 1.00 0.00 C ATOM 1627 CG LEU A 104 6.562 -2.140 1.027 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.743 -3.645 0.807 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.156 -1.733 0.575 1.00 0.00 C ATOM 0 H LEU A 104 7.341 -1.408 4.817 1.00 0.00 H new ATOM 0 HA LEU A 104 8.640 -2.813 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.151 -2.482 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.333 -0.790 2.704 1.00 0.00 H new ATOM 0 HG LEU A 104 7.316 -1.606 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.619 -3.876 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.741 -3.942 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.998 -4.190 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.027 -1.979 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.414 -2.270 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.025 -0.660 0.716 1.00 0.00 H new ATOM 1641 N TYR A 105 8.754 0.470 2.535 1.00 0.00 N ATOM 1642 CA TYR A 105 9.422 1.569 1.862 1.00 0.00 C ATOM 1643 C TYR A 105 10.917 1.352 1.886 1.00 0.00 C ATOM 1644 O TYR A 105 11.602 1.476 0.869 1.00 0.00 O ATOM 1645 CB TYR A 105 9.102 2.865 2.603 1.00 0.00 C ATOM 1646 CG TYR A 105 9.829 4.026 1.966 1.00 0.00 C ATOM 1647 CD1 TYR A 105 11.141 4.333 2.354 1.00 0.00 C ATOM 1648 CD2 TYR A 105 9.185 4.803 0.996 1.00 0.00 C ATOM 1649 CE1 TYR A 105 11.804 5.419 1.768 1.00 0.00 C ATOM 1650 CE2 TYR A 105 9.849 5.890 0.414 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.158 6.197 0.800 1.00 0.00 C ATOM 1652 OH TYR A 105 11.813 7.267 0.226 1.00 0.00 O ATOM 0 H TYR A 105 8.123 0.751 3.286 1.00 0.00 H new ATOM 0 HA TYR A 105 9.080 1.625 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.027 3.046 2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.393 2.775 3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 105 11.639 3.734 3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.175 4.564 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 105 12.815 5.656 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.351 6.491 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 105 11.224 7.699 -0.427 1.00 0.00 H new ATOM 1662 N ARG A 106 11.415 1.053 3.066 1.00 0.00 N ATOM 1663 CA ARG A 106 12.826 0.851 3.246 1.00 0.00 C ATOM 1664 C ARG A 106 13.334 -0.276 2.347 1.00 0.00 C ATOM 1665 O ARG A 106 14.384 -0.146 1.717 1.00 0.00 O ATOM 1666 CB ARG A 106 13.099 0.520 4.704 1.00 0.00 C ATOM 1667 CG ARG A 106 14.584 0.676 4.960 1.00 0.00 C ATOM 1668 CD ARG A 106 14.911 0.261 6.391 1.00 0.00 C ATOM 1669 NE ARG A 106 14.285 1.176 7.340 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.376 0.976 8.650 1.00 0.00 C ATOM 1671 NH1 ARG A 106 13.733 -0.016 9.204 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.106 1.769 9.384 1.00 0.00 N ATOM 0 H ARG A 106 10.858 0.945 3.914 1.00 0.00 H new ATOM 0 HA ARG A 106 13.353 1.764 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.530 1.183 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.780 -0.498 4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.149 0.064 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.884 1.711 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.561 -0.756 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.991 0.257 6.538 1.00 0.00 H new ATOM 0 HE ARG A 106 13.768 1.983 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.161 -0.637 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.802 -0.170 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.608 2.545 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.174 1.614 10.390 1.00 0.00 H new ATOM 1686 N SER A 107 12.586 -1.377 2.285 1.00 0.00 N ATOM 1687 CA SER A 107 12.984 -2.509 1.452 1.00 0.00 C ATOM 1688 C SER A 107 13.149 -2.067 0.004 1.00 0.00 C ATOM 1689 O SER A 107 14.068 -2.507 -0.690 1.00 0.00 O ATOM 1690 CB SER A 107 11.939 -3.624 1.528 1.00 0.00 C ATOM 1691 OG SER A 107 11.897 -4.143 2.851 1.00 0.00 O ATOM 0 H SER A 107 11.712 -1.508 2.795 1.00 0.00 H new ATOM 0 HA SER A 107 13.936 -2.887 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.959 -3.239 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.185 -4.417 0.822 1.00 0.00 H new ATOM 0 HG SER A 107 11.504 -3.476 3.452 1.00 0.00 H new ATOM 1697 N LEU A 108 12.256 -1.196 -0.450 1.00 0.00 N ATOM 1698 CA LEU A 108 12.314 -0.701 -1.817 1.00 0.00 C ATOM 1699 C LEU A 108 13.599 0.090 -2.039 1.00 0.00 C ATOM 1700 O LEU A 108 14.235 -0.018 -3.086 1.00 0.00 O ATOM 1701 CB LEU A 108 11.128 0.218 -2.102 1.00 0.00 C ATOM 1702 CG LEU A 108 9.799 -0.544 -1.992 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.645 0.450 -2.146 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.697 -1.616 -3.087 1.00 0.00 C ATOM 0 H LEU A 108 11.488 -0.820 0.106 1.00 0.00 H new ATOM 0 HA LEU A 108 12.285 -1.561 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.132 1.051 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.225 0.643 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 108 9.750 -1.035 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.696 -0.080 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.705 1.202 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.711 0.937 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.748 -2.144 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.751 -1.142 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.519 -2.324 -2.981 1.00 0.00 H new ATOM 1716 N VAL A 109 13.966 0.904 -1.050 1.00 0.00 N ATOM 1717 CA VAL A 109 15.162 1.726 -1.157 1.00 0.00 C ATOM 1718 C VAL A 109 16.401 0.854 -1.327 1.00 0.00 C ATOM 1719 O VAL A 109 17.241 1.124 -2.185 1.00 0.00 O ATOM 1720 CB VAL A 109 15.299 2.604 0.094 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.665 3.296 0.098 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.199 3.668 0.086 1.00 0.00 C ATOM 0 H VAL A 109 13.454 1.009 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 109 15.071 2.364 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 109 15.208 1.979 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.755 3.918 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.454 2.544 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.759 3.920 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.292 4.294 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.297 4.286 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.223 3.182 0.086 1.00 0.00 H new ATOM 1732 N GLN A 110 16.514 -0.191 -0.516 1.00 0.00 N ATOM 1733 CA GLN A 110 17.668 -1.075 -0.618 1.00 0.00 C ATOM 1734 C GLN A 110 17.674 -1.738 -1.982 1.00 0.00 C ATOM 1735 O GLN A 110 18.686 -1.750 -2.684 1.00 0.00 O ATOM 1736 CB GLN A 110 17.622 -2.151 0.482 1.00 0.00 C ATOM 1737 CG GLN A 110 17.037 -1.563 1.785 1.00 0.00 C ATOM 1738 CD GLN A 110 17.787 -2.101 3.005 1.00 0.00 C ATOM 1739 OE1 GLN A 110 18.999 -1.921 3.118 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.133 -2.757 3.926 1.00 0.00 N ATOM 0 H GLN A 110 15.837 -0.443 0.204 1.00 0.00 H new ATOM 0 HA GLN A 110 18.577 -0.487 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.015 -2.993 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.625 -2.535 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.104 -0.475 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 110 15.979 -1.816 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.128 -2.905 3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.627 -3.121 4.741 1.00 0.00 H new ATOM 1749 N LYS A 111 16.527 -2.282 -2.347 1.00 0.00 N ATOM 1750 CA LYS A 111 16.377 -2.949 -3.634 1.00 0.00 C ATOM 1751 C LYS A 111 16.633 -1.963 -4.771 1.00 0.00 C ATOM 1752 O LYS A 111 16.873 -2.366 -5.909 1.00 0.00 O ATOM 1753 CB LYS A 111 14.950 -3.500 -3.760 1.00 0.00 C ATOM 1754 CG LYS A 111 14.702 -4.630 -2.748 1.00 0.00 C ATOM 1755 CD LYS A 111 15.254 -5.960 -3.277 1.00 0.00 C ATOM 1756 CE LYS A 111 14.960 -7.071 -2.266 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.474 -8.368 -2.790 1.00 0.00 N ATOM 0 H LYS A 111 15.684 -2.277 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 111 17.098 -3.764 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.231 -2.697 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.788 -3.872 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.177 -4.385 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.633 -4.725 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.799 -6.198 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.328 -5.880 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.430 -6.841 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.887 -7.139 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.275 -9.123 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.006 -8.588 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.501 -8.299 -2.940 1.00 0.00 H new ATOM 1771 N GLY A 112 16.568 -0.672 -4.458 1.00 0.00 N ATOM 1772 CA GLY A 112 16.779 0.357 -5.471 1.00 0.00 C ATOM 1773 C GLY A 112 15.536 0.490 -6.341 1.00 0.00 C ATOM 1774 O GLY A 112 15.593 1.004 -7.458 1.00 0.00 O ATOM 0 H GLY A 112 16.373 -0.316 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.002 1.310 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.640 0.101 -6.088 1.00 0.00 H new ATOM 1778 N LEU A 113 14.412 0.029 -5.804 1.00 0.00 N ATOM 1779 CA LEU A 113 13.139 0.099 -6.517 1.00 0.00 C ATOM 1780 C LEU A 113 12.596 1.530 -6.528 1.00 0.00 C ATOM 1781 O LEU A 113 12.122 2.020 -7.553 1.00 0.00 O ATOM 1782 CB LEU A 113 12.137 -0.840 -5.840 1.00 0.00 C ATOM 1783 CG LEU A 113 12.430 -2.298 -6.237 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.660 -3.243 -5.307 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.017 -2.556 -7.704 1.00 0.00 C ATOM 0 H LEU A 113 14.355 -0.397 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 113 13.293 -0.208 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.198 -0.730 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.121 -0.572 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 113 13.500 -2.481 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.866 -4.276 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.975 -3.076 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.591 -3.050 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.232 -3.592 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.950 -2.366 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.577 -1.892 -8.362 1.00 0.00 H new ATOM 1797 N VAL A 114 12.664 2.184 -5.372 1.00 0.00 N ATOM 1798 CA VAL A 114 12.168 3.558 -5.234 1.00 0.00 C ATOM 1799 C VAL A 114 12.978 4.527 -6.098 1.00 0.00 C ATOM 1800 O VAL A 114 12.419 5.447 -6.698 1.00 0.00 O ATOM 1801 CB VAL A 114 12.173 3.975 -3.735 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.399 5.490 -3.580 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.821 3.605 -3.082 1.00 0.00 C ATOM 0 H VAL A 114 13.056 1.790 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 114 11.140 3.600 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 114 12.988 3.443 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.398 5.752 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.359 5.762 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.601 6.031 -4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.831 3.900 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.014 4.125 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.664 2.529 -3.155 1.00 0.00 H new ATOM 1813 N LYS A 115 14.280 4.315 -6.165 1.00 0.00 N ATOM 1814 CA LYS A 115 15.147 5.180 -6.966 1.00 0.00 C ATOM 1815 C LYS A 115 15.088 4.778 -8.440 1.00 0.00 C ATOM 1816 O LYS A 115 16.113 4.492 -9.058 1.00 0.00 O ATOM 1817 CB LYS A 115 16.594 5.083 -6.467 1.00 0.00 C ATOM 1818 CG LYS A 115 17.435 6.242 -7.039 1.00 0.00 C ATOM 1819 CD LYS A 115 17.298 7.494 -6.161 1.00 0.00 C ATOM 1820 CE LYS A 115 18.257 8.575 -6.669 1.00 0.00 C ATOM 1821 NZ LYS A 115 17.777 9.087 -7.983 1.00 0.00 N ATOM 0 H LYS A 115 14.764 3.559 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 115 14.797 6.207 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.613 5.114 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.026 4.128 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.482 5.945 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.111 6.467 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.272 7.860 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.523 7.251 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.317 9.391 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.262 8.166 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.313 9.940 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.917 8.358 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.766 9.320 -7.916 1.00 0.00 H new ATOM 1835 N THR A 116 13.875 4.748 -8.992 1.00 0.00 N ATOM 1836 CA THR A 116 13.675 4.371 -10.394 1.00 0.00 C ATOM 1837 C THR A 116 13.693 5.602 -11.294 1.00 0.00 C ATOM 1838 O THR A 116 13.504 5.501 -12.506 1.00 0.00 O ATOM 1839 CB THR A 116 12.333 3.645 -10.551 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.080 3.407 -11.928 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.217 4.511 -9.968 1.00 0.00 C ATOM 0 H THR A 116 13.017 4.980 -8.492 1.00 0.00 H new ATOM 0 HA THR A 116 14.489 3.709 -10.690 1.00 0.00 H new ATOM 0 HB THR A 116 12.370 2.693 -10.021 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.311 4.206 -12.446 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.262 3.997 -10.079 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.411 4.692 -8.911 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.180 5.463 -10.498 1.00 0.00 H new ATOM 1849 N LYS A 117 13.905 6.763 -10.687 1.00 0.00 N ATOM 1850 CA LYS A 117 13.932 8.020 -11.434 1.00 0.00 C ATOM 1851 C LYS A 117 15.196 8.123 -12.285 1.00 0.00 C ATOM 1852 O LYS A 117 15.948 9.092 -12.176 1.00 0.00 O ATOM 1853 CB LYS A 117 13.882 9.204 -10.465 1.00 0.00 C ATOM 1854 CG LYS A 117 12.715 9.042 -9.484 1.00 0.00 C ATOM 1855 CD LYS A 117 11.381 9.044 -10.237 1.00 0.00 C ATOM 1856 CE LYS A 117 10.239 9.266 -9.245 1.00 0.00 C ATOM 1857 NZ LYS A 117 8.936 9.180 -9.963 1.00 0.00 N ATOM 0 H LYS A 117 14.060 6.863 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 117 13.062 8.041 -12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 117 14.821 9.272 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 117 13.771 10.134 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.825 8.111 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.729 9.852 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.379 9.829 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.244 8.097 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.280 8.518 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.341 10.241 -8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 8.158 9.331 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.899 9.909 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.840 8.240 -10.397 1.00 0.00 H new ATOM 1871 N LYS A 118 15.423 7.124 -13.138 1.00 0.00 N ATOM 1872 CA LYS A 118 16.595 7.112 -14.017 1.00 0.00 C ATOM 1873 C LYS A 118 16.210 6.604 -15.402 1.00 0.00 C ATOM 1874 O LYS A 118 15.244 5.856 -15.550 1.00 0.00 O ATOM 1875 CB LYS A 118 17.685 6.212 -13.431 1.00 0.00 C ATOM 1876 CG LYS A 118 18.206 6.830 -12.132 1.00 0.00 C ATOM 1877 CD LYS A 118 19.227 5.891 -11.471 1.00 0.00 C ATOM 1878 CE LYS A 118 20.583 6.002 -12.177 1.00 0.00 C ATOM 1879 NZ LYS A 118 21.605 5.245 -11.401 1.00 0.00 N ATOM 0 H LYS A 118 14.813 6.313 -13.240 1.00 0.00 H new ATOM 0 HA LYS A 118 16.974 8.130 -14.100 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.286 5.216 -13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 118 18.500 6.097 -14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.669 7.795 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 118 17.376 7.015 -11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.336 6.145 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 118 18.869 4.863 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.512 5.606 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.877 7.048 -12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.527 5.318 -11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 21.678 5.642 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 21.325 4.245 -11.341 1.00 0.00 H new ATOM 1893 N LYS A 119 16.971 7.016 -16.416 1.00 0.00 N ATOM 1894 CA LYS A 119 16.707 6.601 -17.795 1.00 0.00 C ATOM 1895 C LYS A 119 18.012 6.271 -18.512 1.00 0.00 C ATOM 1896 O LYS A 119 17.955 5.972 -19.693 1.00 0.00 O ATOM 1897 CB LYS A 119 15.989 7.721 -18.546 1.00 0.00 C ATOM 1898 CG LYS A 119 14.567 7.869 -18.003 1.00 0.00 C ATOM 1899 CD LYS A 119 13.879 9.078 -18.650 1.00 0.00 C ATOM 1900 CE LYS A 119 13.669 8.829 -20.148 1.00 0.00 C ATOM 1901 NZ LYS A 119 12.616 9.753 -20.658 1.00 0.00 N ATOM 1902 OXT LYS A 119 19.048 6.323 -17.870 1.00 0.00 O ATOM 0 H LYS A 119 17.774 7.636 -16.309 1.00 0.00 H new ATOM 0 HA LYS A 119 16.078 5.711 -17.773 1.00 0.00 H new ATOM 0 HB2 LYS A 119 16.533 8.658 -18.430 1.00 0.00 H new ATOM 0 HB3 LYS A 119 15.961 7.498 -19.613 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.996 6.963 -18.207 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.594 7.992 -16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.919 9.261 -18.166 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.485 9.972 -18.504 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.602 8.988 -20.689 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.374 7.794 -20.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.471 9.587 -21.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.726 9.580 -20.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.916 10.738 -20.508 1.00 0.00 H new TER 1916 LYS A 119