USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1023 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 56 TYR OH : rot 177:sc=-0.00199 USER MOD Set 1.2: A 57 SER OG : rot -43:sc= 1.31 USER MOD Set 2.1: A 30 THR OG1 : rot -43:sc= -2.43! USER MOD Set 2.2: A 54 GLN : amide:sc= -0.441 X(o=-2.9,f=-3.1!) USER MOD Set 3.1: A 15 ASN : amide:sc= -1.14! C(o=-0.8!,f=-2.2!) USER MOD Set 3.2: A 18 THR OG1 : rot 43:sc= 0.34 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.0276 X(o=-0.13,f=-0.11) USER MOD Set 4.2: A 124 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0739 USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= -0.138 (180deg=-0.933) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 1:sc= 0.623 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ -142:sc=-0.00566 (180deg=-0.679) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 25 THR OG1 : rot -75:sc= -1.89! USER MOD Single : A 28 THR OG1 : rot -67:sc= 0.123! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.55) USER MOD Single : A 39 THR OG1 : rot 180:sc= -4.76! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -117:sc= -0.261 USER MOD Single : A 50 THR OG1 : rot 154:sc= -0.166 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -8.8! C(o=-8.8!,f=-7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0628 USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.36! USER MOD Single : A 71 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.5) USER MOD Single : A 72 GLN : amide:sc= -0.936 K(o=-0.94,f=-2.4) USER MOD Single : A 74 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-1.5) USER MOD Single : A 76 HIS : no HD1:sc= -15.3! C(o=-15!,f=-14!) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 78 GLN : amide:sc= 0.0183 X(o=0.018,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.03! C(o=-3!,f=-8.9!) USER MOD Single : A 97 ASN : amide:sc= -2.34 K(o=-2.3,f=-1.1) USER MOD Single : A 98 SER OG : rot 62:sc= 0.05 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.757 K(o=-0.76,f=-0.017) USER MOD Single : A 107 SER OG : rot 95:sc= 0.726 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 111 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.56!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -77:sc= 0.00386 USER MOD Single : A 120 MET CE :methyl -124:sc= -5.62! (180deg=-13!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -50:sc= 1.17 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 15.266 3.160 -26.221 1.00 0.00 N ATOM 53 CA ASP A 4 14.224 4.086 -26.752 1.00 0.00 C ATOM 54 C ASP A 4 14.646 5.532 -26.497 1.00 0.00 C ATOM 55 O ASP A 4 15.547 5.805 -25.729 1.00 0.00 O ATOM 56 CB ASP A 4 12.886 3.819 -26.057 1.00 0.00 C ATOM 57 CG ASP A 4 12.810 2.353 -25.625 1.00 0.00 C ATOM 58 OD1 ASP A 4 13.401 2.023 -24.611 1.00 0.00 O ATOM 59 OD2 ASP A 4 12.161 1.585 -26.316 1.00 0.00 O ATOM 0 HA ASP A 4 14.113 3.920 -27.824 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.781 4.469 -25.189 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.062 4.052 -26.732 1.00 0.00 H new ATOM 64 N ILE A 5 14.000 6.462 -27.142 1.00 0.00 N ATOM 65 CA ILE A 5 14.351 7.896 -26.952 1.00 0.00 C ATOM 66 C ILE A 5 13.929 8.356 -25.554 1.00 0.00 C ATOM 67 O ILE A 5 14.530 9.238 -24.973 1.00 0.00 O ATOM 68 CB ILE A 5 13.620 8.728 -28.002 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.086 8.306 -29.396 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.926 10.211 -27.788 1.00 0.00 C ATOM 71 CD1 ILE A 5 13.129 7.250 -29.952 1.00 0.00 C ATOM 0 H ILE A 5 13.238 6.289 -27.798 1.00 0.00 H new ATOM 0 HA ILE A 5 15.428 8.024 -27.058 1.00 0.00 H new ATOM 0 HB ILE A 5 12.546 8.566 -27.911 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.116 9.171 -30.059 1.00 0.00 H new ATOM 0 HG13 ILE A 5 15.099 7.906 -29.348 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.403 10.803 -28.539 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.594 10.511 -26.794 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.999 10.378 -27.878 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.459 6.947 -30.946 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.121 6.382 -29.292 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.124 7.667 -30.015 1.00 0.00 H new ATOM 83 N THR A 6 12.896 7.772 -25.011 1.00 0.00 N ATOM 84 CA THR A 6 12.433 8.185 -23.657 1.00 0.00 C ATOM 85 C THR A 6 13.617 8.203 -22.694 1.00 0.00 C ATOM 86 O THR A 6 13.831 9.158 -21.978 1.00 0.00 O ATOM 87 CB THR A 6 11.385 7.193 -23.151 1.00 0.00 C ATOM 88 OG1 THR A 6 10.643 6.688 -24.253 1.00 0.00 O ATOM 89 CG2 THR A 6 10.440 7.900 -22.179 1.00 0.00 C ATOM 0 H THR A 6 12.353 7.027 -25.447 1.00 0.00 H new ATOM 0 HA THR A 6 11.996 9.182 -23.714 1.00 0.00 H new ATOM 0 HB THR A 6 11.881 6.369 -22.638 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.972 6.051 -23.931 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.693 7.193 -21.818 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.010 8.288 -21.335 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.942 8.724 -22.690 1.00 0.00 H new ATOM 97 N LEU A 7 14.377 7.149 -22.651 1.00 0.00 N ATOM 98 CA LEU A 7 15.524 7.112 -21.712 1.00 0.00 C ATOM 99 C LEU A 7 16.438 8.334 -21.898 1.00 0.00 C ATOM 100 O LEU A 7 16.799 8.972 -20.936 1.00 0.00 O ATOM 101 CB LEU A 7 16.322 5.810 -21.868 1.00 0.00 C ATOM 102 CG LEU A 7 16.519 5.242 -20.488 1.00 0.00 C ATOM 103 CD1 LEU A 7 17.256 3.905 -20.574 1.00 0.00 C ATOM 104 CD2 LEU A 7 17.330 6.232 -19.654 1.00 0.00 C ATOM 0 H LEU A 7 14.253 6.314 -23.224 1.00 0.00 H new ATOM 0 HA LEU A 7 15.121 7.146 -20.700 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.786 5.104 -22.502 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.283 6.002 -22.346 1.00 0.00 H new ATOM 0 HG LEU A 7 15.549 5.076 -20.019 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.395 3.501 -19.571 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.671 3.205 -21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.229 4.055 -21.042 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.478 5.829 -18.652 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.299 6.397 -20.125 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.793 7.178 -19.589 1.00 0.00 H new ATOM 116 N GLN A 8 16.822 8.689 -23.097 1.00 0.00 N ATOM 117 CA GLN A 8 17.699 9.880 -23.238 1.00 0.00 C ATOM 118 C GLN A 8 17.016 11.068 -22.574 1.00 0.00 C ATOM 119 O GLN A 8 17.647 11.974 -22.066 1.00 0.00 O ATOM 120 CB GLN A 8 17.934 10.180 -24.721 1.00 0.00 C ATOM 121 CG GLN A 8 19.073 9.301 -25.244 1.00 0.00 C ATOM 122 CD GLN A 8 19.300 9.590 -26.729 1.00 0.00 C ATOM 123 OE1 GLN A 8 19.277 8.691 -27.546 1.00 0.00 O ATOM 124 NE2 GLN A 8 19.521 10.817 -27.117 1.00 0.00 N ATOM 0 H GLN A 8 16.571 8.215 -23.965 1.00 0.00 H new ATOM 0 HA GLN A 8 18.661 9.690 -22.762 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.024 9.991 -25.290 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.181 11.233 -24.855 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.986 9.497 -24.681 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.829 8.248 -25.101 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.541 11.573 -26.432 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.674 11.020 -28.105 1.00 0.00 H new ATOM 133 N GLU A 9 15.723 11.056 -22.584 1.00 0.00 N ATOM 134 CA GLU A 9 14.942 12.162 -21.968 1.00 0.00 C ATOM 135 C GLU A 9 15.042 12.118 -20.437 1.00 0.00 C ATOM 136 O GLU A 9 15.251 13.132 -19.799 1.00 0.00 O ATOM 137 CB GLU A 9 13.473 12.044 -22.384 1.00 0.00 C ATOM 138 CG GLU A 9 13.203 12.981 -23.560 1.00 0.00 C ATOM 139 CD GLU A 9 11.782 12.753 -24.081 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.135 11.837 -23.600 1.00 0.00 O ATOM 141 OE2 GLU A 9 11.364 13.499 -24.951 1.00 0.00 O ATOM 0 H GLU A 9 15.158 10.315 -22.999 1.00 0.00 H new ATOM 0 HA GLU A 9 15.354 13.109 -22.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.244 11.016 -22.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.824 12.298 -21.546 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.325 14.018 -23.247 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.926 12.801 -24.355 1.00 0.00 H new ATOM 148 N ILE A 10 14.870 10.968 -19.832 1.00 0.00 N ATOM 149 CA ILE A 10 14.933 10.907 -18.342 1.00 0.00 C ATOM 150 C ILE A 10 16.365 11.132 -17.859 1.00 0.00 C ATOM 151 O ILE A 10 16.604 11.939 -16.996 1.00 0.00 O ATOM 152 CB ILE A 10 14.429 9.538 -17.866 1.00 0.00 C ATOM 153 CG1 ILE A 10 12.901 9.500 -17.945 1.00 0.00 C ATOM 154 CG2 ILE A 10 14.862 9.297 -16.417 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.446 9.989 -19.322 1.00 0.00 C ATOM 0 H ILE A 10 14.691 10.080 -20.300 1.00 0.00 H new ATOM 0 HA ILE A 10 14.301 11.692 -17.927 1.00 0.00 H new ATOM 0 HB ILE A 10 14.852 8.762 -18.504 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.543 8.485 -17.772 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.471 10.128 -17.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.500 8.323 -16.086 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.950 9.321 -16.354 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.444 10.075 -15.778 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.358 9.961 -19.377 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.791 11.011 -19.477 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.865 9.343 -20.094 1.00 0.00 H new ATOM 167 N ILE A 11 17.319 10.428 -18.391 1.00 0.00 N ATOM 168 CA ILE A 11 18.720 10.619 -17.923 1.00 0.00 C ATOM 169 C ILE A 11 19.062 12.105 -17.909 1.00 0.00 C ATOM 170 O ILE A 11 19.863 12.556 -17.118 1.00 0.00 O ATOM 171 CB ILE A 11 19.684 9.876 -18.850 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.282 8.402 -18.926 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.108 9.990 -18.302 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.403 7.598 -19.589 1.00 0.00 C ATOM 0 H ILE A 11 17.194 9.732 -19.126 1.00 0.00 H new ATOM 0 HA ILE A 11 18.816 10.219 -16.913 1.00 0.00 H new ATOM 0 HB ILE A 11 19.643 10.316 -19.847 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.086 8.016 -17.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.359 8.295 -19.495 1.00 0.00 H new ATOM 0 HG21 ILE A 11 21.795 9.461 -18.962 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.394 11.040 -18.247 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.151 9.550 -17.306 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.115 6.548 -19.642 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.577 7.978 -20.596 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.316 7.694 -19.002 1.00 0.00 H new ATOM 186 N LYS A 12 18.463 12.878 -18.768 1.00 0.00 N ATOM 187 CA LYS A 12 18.763 14.334 -18.774 1.00 0.00 C ATOM 188 C LYS A 12 18.321 14.938 -17.437 1.00 0.00 C ATOM 189 O LYS A 12 19.058 15.664 -16.796 1.00 0.00 O ATOM 190 CB LYS A 12 18.002 15.006 -19.919 1.00 0.00 C ATOM 191 CG LYS A 12 18.950 15.925 -20.692 1.00 0.00 C ATOM 192 CD LYS A 12 18.336 16.265 -22.051 1.00 0.00 C ATOM 193 CE LYS A 12 18.774 17.669 -22.474 1.00 0.00 C ATOM 194 NZ LYS A 12 18.190 18.672 -21.540 1.00 0.00 N ATOM 0 H LYS A 12 17.783 12.567 -19.462 1.00 0.00 H new ATOM 0 HA LYS A 12 19.832 14.492 -18.913 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.586 14.251 -20.586 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.163 15.580 -19.525 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.132 16.838 -20.125 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.915 15.437 -20.829 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.650 15.535 -22.797 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.249 16.214 -21.993 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.862 17.740 -22.468 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.447 17.872 -23.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.986 19.551 -22.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.309 18.297 -21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.867 18.870 -20.775 1.00 0.00 H new ATOM 208 N THR A 13 17.120 14.645 -17.013 1.00 0.00 N ATOM 209 CA THR A 13 16.615 15.196 -15.723 1.00 0.00 C ATOM 210 C THR A 13 17.343 14.538 -14.540 1.00 0.00 C ATOM 211 O THR A 13 17.833 15.202 -13.648 1.00 0.00 O ATOM 212 CB THR A 13 15.109 14.916 -15.625 1.00 0.00 C ATOM 213 OG1 THR A 13 14.410 15.823 -16.466 1.00 0.00 O ATOM 214 CG2 THR A 13 14.636 15.093 -14.180 1.00 0.00 C ATOM 0 H THR A 13 16.463 14.043 -17.509 1.00 0.00 H new ATOM 0 HA THR A 13 16.800 16.270 -15.688 1.00 0.00 H new ATOM 0 HB THR A 13 14.912 13.891 -15.940 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.448 15.647 -16.408 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.566 14.892 -14.120 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.172 14.398 -13.534 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.832 16.115 -13.856 1.00 0.00 H new ATOM 222 N LEU A 14 17.404 13.238 -14.530 1.00 0.00 N ATOM 223 CA LEU A 14 18.078 12.509 -13.424 1.00 0.00 C ATOM 224 C LEU A 14 19.537 12.962 -13.317 1.00 0.00 C ATOM 225 O LEU A 14 20.132 12.929 -12.259 1.00 0.00 O ATOM 226 CB LEU A 14 17.996 11.012 -13.730 1.00 0.00 C ATOM 227 CG LEU A 14 19.044 10.235 -12.935 1.00 0.00 C ATOM 228 CD1 LEU A 14 18.666 10.236 -11.453 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.080 8.796 -13.453 1.00 0.00 C ATOM 0 H LEU A 14 17.008 12.640 -15.255 1.00 0.00 H new ATOM 0 HA LEU A 14 17.592 12.718 -12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.000 10.641 -13.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.146 10.846 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 14 20.023 10.699 -13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.414 9.682 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.623 11.263 -11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.691 9.765 -11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.824 8.227 -12.895 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.100 8.338 -13.322 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.342 8.797 -14.511 1.00 0.00 H new ATOM 241 N ASN A 15 20.117 13.374 -14.408 1.00 0.00 N ATOM 242 CA ASN A 15 21.540 13.821 -14.378 1.00 0.00 C ATOM 243 C ASN A 15 21.656 15.153 -13.609 1.00 0.00 C ATOM 244 O ASN A 15 22.522 15.308 -12.774 1.00 0.00 O ATOM 245 CB ASN A 15 22.033 14.022 -15.812 1.00 0.00 C ATOM 246 CG ASN A 15 23.385 14.740 -15.790 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.028 14.820 -14.762 1.00 0.00 O ATOM 248 ND2 ASN A 15 23.847 15.271 -16.889 1.00 0.00 N ATOM 0 H ASN A 15 19.668 13.421 -15.322 1.00 0.00 H new ATOM 0 HA ASN A 15 22.145 13.064 -13.879 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.129 13.059 -16.314 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.308 14.606 -16.379 1.00 0.00 H new ATOM 0 HD21 ASN A 15 24.746 15.752 -16.884 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.309 15.205 -17.753 1.00 0.00 H new ATOM 255 N SER A 16 20.807 16.131 -13.881 1.00 0.00 N ATOM 256 CA SER A 16 20.925 17.423 -13.148 1.00 0.00 C ATOM 257 C SER A 16 20.931 17.173 -11.636 1.00 0.00 C ATOM 258 O SER A 16 21.582 17.875 -10.886 1.00 0.00 O ATOM 259 CB SER A 16 19.741 18.322 -13.509 1.00 0.00 C ATOM 260 OG SER A 16 18.545 17.558 -13.490 1.00 0.00 O ATOM 0 H SER A 16 20.055 16.082 -14.568 1.00 0.00 H new ATOM 0 HA SER A 16 21.858 17.909 -13.432 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.669 19.148 -12.802 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.890 18.760 -14.496 1.00 0.00 H new ATOM 0 HG SER A 16 18.752 16.633 -13.240 1.00 0.00 H new ATOM 266 N LEU A 17 20.200 16.195 -11.176 1.00 0.00 N ATOM 267 CA LEU A 17 20.155 15.922 -9.709 1.00 0.00 C ATOM 268 C LEU A 17 21.492 15.355 -9.217 1.00 0.00 C ATOM 269 O LEU A 17 21.874 15.560 -8.083 1.00 0.00 O ATOM 270 CB LEU A 17 19.034 14.919 -9.416 1.00 0.00 C ATOM 271 CG LEU A 17 17.739 15.420 -10.054 1.00 0.00 C ATOM 272 CD1 LEU A 17 16.557 14.565 -9.582 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.511 16.876 -9.644 1.00 0.00 C ATOM 0 H LEU A 17 19.632 15.573 -11.751 1.00 0.00 H new ATOM 0 HA LEU A 17 19.965 16.859 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.294 13.937 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.904 14.804 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 17 17.818 15.348 -11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.638 14.929 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.721 13.527 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.471 14.630 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.588 17.241 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.434 16.941 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.348 17.485 -9.985 1.00 0.00 H new ATOM 285 N THR A 18 22.206 14.642 -10.042 1.00 0.00 N ATOM 286 CA THR A 18 23.507 14.074 -9.581 1.00 0.00 C ATOM 287 C THR A 18 24.514 15.195 -9.370 1.00 0.00 C ATOM 288 O THR A 18 25.189 15.268 -8.362 1.00 0.00 O ATOM 289 CB THR A 18 24.043 13.083 -10.620 1.00 0.00 C ATOM 290 OG1 THR A 18 23.521 13.407 -11.899 1.00 0.00 O ATOM 291 CG2 THR A 18 23.619 11.664 -10.239 1.00 0.00 C ATOM 0 H THR A 18 21.950 14.428 -11.006 1.00 0.00 H new ATOM 0 HA THR A 18 23.351 13.550 -8.638 1.00 0.00 H new ATOM 0 HB THR A 18 25.131 13.141 -10.648 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.559 14.377 -12.032 1.00 0.00 H new ATOM 0 HG21 THR A 18 24.000 10.959 -10.978 1.00 0.00 H new ATOM 0 HG22 THR A 18 24.023 11.415 -9.258 1.00 0.00 H new ATOM 0 HG23 THR A 18 22.531 11.605 -10.209 1.00 0.00 H new ATOM 299 N GLU A 19 24.610 16.065 -10.315 1.00 0.00 N ATOM 300 CA GLU A 19 25.563 17.205 -10.197 1.00 0.00 C ATOM 301 C GLU A 19 25.280 17.962 -8.907 1.00 0.00 C ATOM 302 O GLU A 19 26.155 18.551 -8.303 1.00 0.00 O ATOM 303 CB GLU A 19 25.401 18.142 -11.394 1.00 0.00 C ATOM 304 CG GLU A 19 26.735 18.254 -12.138 1.00 0.00 C ATOM 305 CD GLU A 19 26.719 17.333 -13.359 1.00 0.00 C ATOM 306 OE1 GLU A 19 25.982 16.361 -13.332 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.444 17.613 -14.298 1.00 0.00 O ATOM 0 H GLU A 19 24.067 16.044 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 19 26.585 16.826 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.629 17.763 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.076 19.127 -11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.904 19.285 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.557 17.982 -11.475 1.00 0.00 H new ATOM 314 N GLN A 20 24.059 17.938 -8.487 1.00 0.00 N ATOM 315 CA GLN A 20 23.672 18.644 -7.232 1.00 0.00 C ATOM 316 C GLN A 20 23.091 17.630 -6.244 1.00 0.00 C ATOM 317 O GLN A 20 21.979 17.168 -6.399 1.00 0.00 O ATOM 318 CB GLN A 20 22.624 19.712 -7.548 1.00 0.00 C ATOM 319 CG GLN A 20 23.179 20.677 -8.598 1.00 0.00 C ATOM 320 CD GLN A 20 22.083 21.654 -9.026 1.00 0.00 C ATOM 321 OE1 GLN A 20 21.265 22.058 -8.222 1.00 0.00 O ATOM 322 NE2 GLN A 20 22.030 22.054 -10.267 1.00 0.00 N ATOM 0 H GLN A 20 23.295 17.455 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 20 24.549 19.121 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.711 19.243 -7.916 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.360 20.257 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.029 21.224 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.542 20.121 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.716 21.715 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.303 22.705 -10.562 1.00 0.00 H new ATOM 331 N LYS A 21 23.837 17.278 -5.232 1.00 0.00 N ATOM 332 CA LYS A 21 23.332 16.292 -4.237 1.00 0.00 C ATOM 333 C LYS A 21 24.503 15.798 -3.386 1.00 0.00 C ATOM 334 O LYS A 21 25.082 14.763 -3.651 1.00 0.00 O ATOM 335 CB LYS A 21 22.694 15.108 -4.967 1.00 0.00 C ATOM 336 CG LYS A 21 21.171 15.190 -4.835 1.00 0.00 C ATOM 337 CD LYS A 21 20.743 14.601 -3.489 1.00 0.00 C ATOM 338 CE LYS A 21 19.231 14.757 -3.320 1.00 0.00 C ATOM 339 NZ LYS A 21 18.898 16.194 -3.107 1.00 0.00 N ATOM 0 H LYS A 21 24.776 17.632 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 21 22.586 16.764 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 21 22.980 15.118 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 23.056 14.170 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.844 16.227 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.695 14.645 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.018 13.548 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.264 15.107 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.715 14.381 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.886 14.164 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.130 16.273 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.738 16.697 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.593 16.617 -4.007 1.00 0.00 H new ATOM 353 N THR A 22 24.865 16.533 -2.369 1.00 0.00 N ATOM 354 CA THR A 22 26.010 16.103 -1.509 1.00 0.00 C ATOM 355 C THR A 22 25.913 16.758 -0.125 1.00 0.00 C ATOM 356 O THR A 22 25.658 16.098 0.863 1.00 0.00 O ATOM 357 CB THR A 22 27.328 16.514 -2.172 1.00 0.00 C ATOM 358 OG1 THR A 22 28.311 16.737 -1.170 1.00 0.00 O ATOM 359 CG2 THR A 22 27.123 17.798 -2.979 1.00 0.00 C ATOM 0 H THR A 22 24.421 17.409 -2.096 1.00 0.00 H new ATOM 0 HA THR A 22 25.975 15.020 -1.392 1.00 0.00 H new ATOM 0 HB THR A 22 27.659 15.719 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.156 16.998 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 22 28.063 18.087 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.370 17.628 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.789 18.596 -2.315 1.00 0.00 H new ATOM 367 N LEU A 23 26.135 18.047 -0.042 1.00 0.00 N ATOM 368 CA LEU A 23 26.077 18.746 1.277 1.00 0.00 C ATOM 369 C LEU A 23 24.957 18.186 2.145 1.00 0.00 C ATOM 370 O LEU A 23 25.021 18.210 3.359 1.00 0.00 O ATOM 371 CB LEU A 23 25.850 20.243 1.053 1.00 0.00 C ATOM 372 CG LEU A 23 24.461 20.463 0.452 1.00 0.00 C ATOM 373 CD1 LEU A 23 23.549 21.111 1.496 1.00 0.00 C ATOM 374 CD2 LEU A 23 24.573 21.381 -0.767 1.00 0.00 C ATOM 0 H LEU A 23 26.355 18.647 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 23 27.024 18.586 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 23 25.939 20.781 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 23 26.614 20.642 0.386 1.00 0.00 H new ATOM 0 HG LEU A 23 24.041 19.504 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 22.559 21.268 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 23 23.469 20.458 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 23 23.968 22.070 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 23 23.583 21.538 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.993 22.340 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.222 20.920 -1.511 1.00 0.00 H new ATOM 386 N CYS A 24 23.940 17.682 1.536 1.00 0.00 N ATOM 387 CA CYS A 24 22.808 17.109 2.319 1.00 0.00 C ATOM 388 C CYS A 24 22.659 15.622 1.999 1.00 0.00 C ATOM 389 O CYS A 24 23.211 14.781 2.680 1.00 0.00 O ATOM 390 CB CYS A 24 21.512 17.850 1.985 1.00 0.00 C ATOM 391 SG CYS A 24 20.910 18.689 3.471 1.00 0.00 S ATOM 0 H CYS A 24 23.833 17.637 0.523 1.00 0.00 H new ATOM 0 HA CYS A 24 23.015 17.225 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.687 18.574 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 24 20.762 17.149 1.619 1.00 0.00 H new ATOM 396 N THR A 25 21.920 15.282 0.973 1.00 0.00 N ATOM 397 CA THR A 25 21.752 13.840 0.636 1.00 0.00 C ATOM 398 C THR A 25 21.493 13.061 1.928 1.00 0.00 C ATOM 399 O THR A 25 21.195 13.636 2.957 1.00 0.00 O ATOM 400 CB THR A 25 23.030 13.325 -0.026 1.00 0.00 C ATOM 401 OG1 THR A 25 24.131 14.119 0.396 1.00 0.00 O ATOM 402 CG2 THR A 25 22.891 13.415 -1.547 1.00 0.00 C ATOM 0 H THR A 25 21.431 15.935 0.361 1.00 0.00 H new ATOM 0 HA THR A 25 20.914 13.709 -0.049 1.00 0.00 H new ATOM 0 HB THR A 25 23.196 12.287 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.100 14.988 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.803 13.048 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 25 22.045 12.809 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.726 14.453 -1.836 1.00 0.00 H new ATOM 410 N GLU A 26 21.610 11.764 1.896 1.00 0.00 N ATOM 411 CA GLU A 26 21.376 10.968 3.133 1.00 0.00 C ATOM 412 C GLU A 26 19.997 11.303 3.707 1.00 0.00 C ATOM 413 O GLU A 26 19.716 11.041 4.860 1.00 0.00 O ATOM 414 CB GLU A 26 22.452 11.308 4.165 1.00 0.00 C ATOM 415 CG GLU A 26 23.231 10.042 4.527 1.00 0.00 C ATOM 416 CD GLU A 26 22.859 9.600 5.943 1.00 0.00 C ATOM 417 OE1 GLU A 26 21.837 8.949 6.090 1.00 0.00 O ATOM 418 OE2 GLU A 26 23.601 9.919 6.856 1.00 0.00 O ATOM 0 H GLU A 26 21.857 11.221 1.069 1.00 0.00 H new ATOM 0 HA GLU A 26 21.420 9.905 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.129 12.062 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.993 11.733 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.005 9.248 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.303 10.231 4.464 1.00 0.00 H new ATOM 425 N LEU A 27 19.133 11.878 2.915 1.00 0.00 N ATOM 426 CA LEU A 27 17.775 12.222 3.425 1.00 0.00 C ATOM 427 C LEU A 27 17.048 10.946 3.821 1.00 0.00 C ATOM 428 O LEU A 27 16.151 10.948 4.636 1.00 0.00 O ATOM 429 CB LEU A 27 17.002 12.954 2.340 1.00 0.00 C ATOM 430 CG LEU A 27 17.537 14.391 2.131 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.354 15.360 2.072 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.474 14.827 3.267 1.00 0.00 C ATOM 0 H LEU A 27 19.308 12.124 1.941 1.00 0.00 H new ATOM 0 HA LEU A 27 17.858 12.868 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.073 12.399 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.946 12.993 2.608 1.00 0.00 H new ATOM 0 HG LEU A 27 18.103 14.404 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.722 16.375 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.701 15.087 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.795 15.309 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.826 15.841 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.935 14.799 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.327 14.150 3.315 1.00 0.00 H new ATOM 444 N THR A 28 17.471 9.867 3.247 1.00 0.00 N ATOM 445 CA THR A 28 16.889 8.513 3.539 1.00 0.00 C ATOM 446 C THR A 28 15.720 8.198 2.604 1.00 0.00 C ATOM 447 O THR A 28 14.682 8.825 2.643 1.00 0.00 O ATOM 448 CB THR A 28 16.432 8.416 4.997 1.00 0.00 C ATOM 449 OG1 THR A 28 15.150 9.011 5.148 1.00 0.00 O ATOM 450 CG2 THR A 28 17.455 9.118 5.887 1.00 0.00 C ATOM 0 H THR A 28 18.224 9.854 2.559 1.00 0.00 H new ATOM 0 HA THR A 28 17.675 7.777 3.368 1.00 0.00 H new ATOM 0 HB THR A 28 16.358 7.369 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.217 9.976 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.137 9.054 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.427 8.637 5.774 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.533 10.165 5.596 1.00 0.00 H new ATOM 458 N VAL A 29 15.897 7.209 1.767 1.00 0.00 N ATOM 459 CA VAL A 29 14.820 6.804 0.816 1.00 0.00 C ATOM 460 C VAL A 29 14.557 5.306 0.968 1.00 0.00 C ATOM 461 O VAL A 29 15.166 4.635 1.777 1.00 0.00 O ATOM 462 CB VAL A 29 15.273 7.077 -0.623 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.083 7.467 -1.508 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.322 8.195 -0.652 1.00 0.00 C ATOM 0 H VAL A 29 16.753 6.658 1.702 1.00 0.00 H new ATOM 0 HA VAL A 29 13.915 7.372 1.032 1.00 0.00 H new ATOM 0 HB VAL A 29 15.714 6.160 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.431 7.655 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.356 6.655 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.615 8.368 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.633 8.376 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.893 9.107 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.187 7.898 -0.059 1.00 0.00 H new ATOM 474 N THR A 30 13.656 4.777 0.187 1.00 0.00 N ATOM 475 CA THR A 30 13.353 3.320 0.275 1.00 0.00 C ATOM 476 C THR A 30 14.508 2.527 -0.342 1.00 0.00 C ATOM 477 O THR A 30 14.988 2.844 -1.412 1.00 0.00 O ATOM 478 CB THR A 30 12.061 3.021 -0.490 1.00 0.00 C ATOM 479 OG1 THR A 30 11.104 4.033 -0.211 1.00 0.00 O ATOM 480 CG2 THR A 30 11.511 1.662 -0.055 1.00 0.00 C ATOM 0 H THR A 30 13.116 5.291 -0.509 1.00 0.00 H new ATOM 0 HA THR A 30 13.229 3.033 1.319 1.00 0.00 H new ATOM 0 HB THR A 30 12.268 3.000 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.110 4.234 0.748 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.591 1.450 -0.600 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.246 0.886 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.303 1.679 1.015 1.00 0.00 H new ATOM 488 N ASP A 31 14.961 1.499 0.324 1.00 0.00 N ATOM 489 CA ASP A 31 16.089 0.694 -0.227 1.00 0.00 C ATOM 490 C ASP A 31 15.551 -0.351 -1.210 1.00 0.00 C ATOM 491 O ASP A 31 15.558 -1.535 -0.937 1.00 0.00 O ATOM 492 CB ASP A 31 16.815 -0.013 0.920 1.00 0.00 C ATOM 493 CG ASP A 31 18.160 -0.546 0.419 1.00 0.00 C ATOM 494 OD1 ASP A 31 18.176 -1.633 -0.132 1.00 0.00 O ATOM 495 OD2 ASP A 31 19.151 0.144 0.597 1.00 0.00 O ATOM 0 H ASP A 31 14.600 1.182 1.224 1.00 0.00 H new ATOM 0 HA ASP A 31 16.781 1.355 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.971 0.679 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.205 -0.833 1.300 1.00 0.00 H new ATOM 500 N ILE A 32 15.085 0.078 -2.352 1.00 0.00 N ATOM 501 CA ILE A 32 14.549 -0.893 -3.353 1.00 0.00 C ATOM 502 C ILE A 32 15.693 -1.411 -4.225 1.00 0.00 C ATOM 503 O ILE A 32 15.555 -1.549 -5.424 1.00 0.00 O ATOM 504 CB ILE A 32 13.519 -0.181 -4.246 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.236 0.869 -5.102 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.481 0.509 -3.365 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.022 0.555 -6.584 1.00 0.00 C ATOM 0 H ILE A 32 15.052 1.057 -2.636 1.00 0.00 H new ATOM 0 HA ILE A 32 14.077 -1.728 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 32 13.026 -0.908 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.854 1.863 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.301 0.875 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.749 1.015 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.977 -0.234 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.975 1.239 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.532 1.302 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.425 -0.432 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.956 0.571 -6.809 1.00 0.00 H new ATOM 519 N PHE A 33 16.824 -1.686 -3.640 1.00 0.00 N ATOM 520 CA PHE A 33 17.976 -2.178 -4.449 1.00 0.00 C ATOM 521 C PHE A 33 18.732 -3.286 -3.690 1.00 0.00 C ATOM 522 O PHE A 33 19.946 -3.337 -3.735 1.00 0.00 O ATOM 523 CB PHE A 33 18.930 -1.011 -4.704 1.00 0.00 C ATOM 524 CG PHE A 33 18.257 -0.006 -5.610 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.081 -0.298 -6.967 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.814 1.216 -5.092 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.459 0.634 -7.808 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.192 2.148 -5.932 1.00 0.00 C ATOM 529 CZ PHE A 33 17.014 1.857 -7.290 1.00 0.00 C ATOM 0 H PHE A 33 17.002 -1.592 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 33 17.605 -2.584 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.207 -0.540 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.851 -1.372 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.424 -1.241 -7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.952 1.440 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.323 0.410 -8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 33 16.850 3.091 -5.532 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.534 2.575 -7.938 1.00 0.00 H new ATOM 539 N ALA A 34 18.047 -4.171 -2.992 1.00 0.00 N ATOM 540 CA ALA A 34 18.770 -5.246 -2.252 1.00 0.00 C ATOM 541 C ALA A 34 19.879 -5.807 -3.124 1.00 0.00 C ATOM 542 O ALA A 34 21.034 -5.850 -2.752 1.00 0.00 O ATOM 543 CB ALA A 34 17.791 -6.363 -1.883 1.00 0.00 C ATOM 0 H ALA A 34 17.031 -4.190 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 34 19.202 -4.830 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.321 -7.147 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.999 -5.959 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.355 -6.779 -2.791 1.00 0.00 H new ATOM 549 N ALA A 35 19.514 -6.221 -4.280 1.00 0.00 N ATOM 550 CA ALA A 35 20.507 -6.788 -5.242 1.00 0.00 C ATOM 551 C ALA A 35 19.793 -7.633 -6.299 1.00 0.00 C ATOM 552 O ALA A 35 19.896 -8.844 -6.305 1.00 0.00 O ATOM 553 CB ALA A 35 21.510 -7.666 -4.489 1.00 0.00 C ATOM 0 H ALA A 35 18.553 -6.197 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 35 21.031 -5.967 -5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 35 22.233 -8.078 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.031 -7.066 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.981 -8.480 -3.994 1.00 0.00 H new ATOM 559 N SER A 36 19.079 -7.000 -7.199 1.00 0.00 N ATOM 560 CA SER A 36 18.358 -7.751 -8.271 1.00 0.00 C ATOM 561 C SER A 36 17.829 -9.075 -7.720 1.00 0.00 C ATOM 562 O SER A 36 17.963 -10.114 -8.335 1.00 0.00 O ATOM 563 CB SER A 36 19.316 -8.030 -9.430 1.00 0.00 C ATOM 564 OG SER A 36 18.831 -7.399 -10.606 1.00 0.00 O ATOM 0 H SER A 36 18.965 -5.987 -7.236 1.00 0.00 H new ATOM 0 HA SER A 36 17.519 -7.151 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 36 20.312 -7.659 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 36 19.406 -9.104 -9.591 1.00 0.00 H new ATOM 0 HG SER A 36 19.445 -7.576 -11.349 1.00 0.00 H new ATOM 570 N LYS A 37 17.236 -9.048 -6.560 1.00 0.00 N ATOM 571 CA LYS A 37 16.707 -10.309 -5.967 1.00 0.00 C ATOM 572 C LYS A 37 15.590 -10.871 -6.844 1.00 0.00 C ATOM 573 O LYS A 37 15.172 -11.998 -6.679 1.00 0.00 O ATOM 574 CB LYS A 37 16.168 -10.026 -4.564 1.00 0.00 C ATOM 575 CG LYS A 37 16.939 -10.867 -3.543 1.00 0.00 C ATOM 576 CD LYS A 37 16.221 -10.819 -2.193 1.00 0.00 C ATOM 577 CE LYS A 37 15.892 -12.242 -1.739 1.00 0.00 C ATOM 578 NZ LYS A 37 14.470 -12.307 -1.301 1.00 0.00 N ATOM 0 H LYS A 37 17.094 -8.209 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 37 17.512 -11.041 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.271 -8.966 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.105 -10.261 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.016 -11.898 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.956 -10.489 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.850 -10.326 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.306 -10.232 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.065 -12.944 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.550 -12.535 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.246 -13.274 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.320 -11.648 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.850 -12.044 -2.094 1.00 0.00 H new ATOM 592 N ASN A 38 15.121 -10.089 -7.777 1.00 0.00 N ATOM 593 CA ASN A 38 14.030 -10.550 -8.692 1.00 0.00 C ATOM 594 C ASN A 38 13.292 -9.327 -9.244 1.00 0.00 C ATOM 595 O ASN A 38 12.234 -8.965 -8.768 1.00 0.00 O ATOM 596 CB ASN A 38 13.039 -11.440 -7.929 1.00 0.00 C ATOM 597 CG ASN A 38 11.744 -11.583 -8.734 1.00 0.00 C ATOM 598 OD1 ASN A 38 11.741 -12.157 -9.805 1.00 0.00 O ATOM 599 ND2 ASN A 38 10.636 -11.081 -8.261 1.00 0.00 N ATOM 0 H ASN A 38 15.449 -9.139 -7.949 1.00 0.00 H new ATOM 0 HA ASN A 38 14.465 -11.125 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.479 -12.422 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.825 -11.007 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.769 -11.171 -8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.637 -10.599 -7.362 1.00 0.00 H new ATOM 606 N THR A 39 13.835 -8.688 -10.242 1.00 0.00 N ATOM 607 CA THR A 39 13.154 -7.493 -10.813 1.00 0.00 C ATOM 608 C THR A 39 13.865 -7.056 -12.097 1.00 0.00 C ATOM 609 O THR A 39 15.019 -7.364 -12.314 1.00 0.00 O ATOM 610 CB THR A 39 13.193 -6.352 -9.794 1.00 0.00 C ATOM 611 OG1 THR A 39 12.323 -5.312 -10.216 1.00 0.00 O ATOM 612 CG2 THR A 39 14.619 -5.813 -9.684 1.00 0.00 C ATOM 0 H THR A 39 14.718 -8.940 -10.686 1.00 0.00 H new ATOM 0 HA THR A 39 12.118 -7.743 -11.044 1.00 0.00 H new ATOM 0 HB THR A 39 12.871 -6.723 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.346 -4.581 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.646 -5.000 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.286 -6.612 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.944 -5.442 -10.656 1.00 0.00 H new ATOM 620 N THR A 40 13.183 -6.334 -12.946 1.00 0.00 N ATOM 621 CA THR A 40 13.819 -5.872 -14.211 1.00 0.00 C ATOM 622 C THR A 40 14.117 -4.377 -14.105 1.00 0.00 C ATOM 623 O THR A 40 13.847 -3.754 -13.100 1.00 0.00 O ATOM 624 CB THR A 40 12.865 -6.121 -15.382 1.00 0.00 C ATOM 625 OG1 THR A 40 11.590 -6.497 -14.881 1.00 0.00 O ATOM 626 CG2 THR A 40 13.419 -7.240 -16.265 1.00 0.00 C ATOM 0 H THR A 40 12.213 -6.045 -12.817 1.00 0.00 H new ATOM 0 HA THR A 40 14.746 -6.420 -14.378 1.00 0.00 H new ATOM 0 HB THR A 40 12.769 -5.210 -15.972 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.978 -6.655 -15.630 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.739 -7.416 -17.098 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.397 -6.950 -16.650 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.517 -8.153 -15.677 1.00 0.00 H new ATOM 634 N GLU A 41 14.666 -3.790 -15.133 1.00 0.00 N ATOM 635 CA GLU A 41 14.969 -2.334 -15.074 1.00 0.00 C ATOM 636 C GLU A 41 13.657 -1.557 -14.985 1.00 0.00 C ATOM 637 O GLU A 41 13.453 -0.762 -14.090 1.00 0.00 O ATOM 638 CB GLU A 41 15.731 -1.911 -16.332 1.00 0.00 C ATOM 639 CG GLU A 41 16.861 -2.908 -16.603 1.00 0.00 C ATOM 640 CD GLU A 41 17.715 -3.066 -15.345 1.00 0.00 C ATOM 641 OE1 GLU A 41 18.111 -2.053 -14.790 1.00 0.00 O ATOM 642 OE2 GLU A 41 17.960 -4.195 -14.956 1.00 0.00 O ATOM 0 H GLU A 41 14.916 -4.254 -16.006 1.00 0.00 H new ATOM 0 HA GLU A 41 15.584 -2.124 -14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.053 -1.872 -17.185 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.139 -0.908 -16.203 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.447 -3.872 -16.897 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.477 -2.559 -17.432 1.00 0.00 H new ATOM 649 N LYS A 42 12.759 -1.786 -15.902 1.00 0.00 N ATOM 650 CA LYS A 42 11.458 -1.065 -15.861 1.00 0.00 C ATOM 651 C LYS A 42 10.803 -1.284 -14.496 1.00 0.00 C ATOM 652 O LYS A 42 10.070 -0.446 -14.007 1.00 0.00 O ATOM 653 CB LYS A 42 10.542 -1.604 -16.961 1.00 0.00 C ATOM 654 CG LYS A 42 10.762 -0.798 -18.243 1.00 0.00 C ATOM 655 CD LYS A 42 9.998 -1.453 -19.396 1.00 0.00 C ATOM 656 CE LYS A 42 10.730 -2.720 -19.841 1.00 0.00 C ATOM 657 NZ LYS A 42 9.886 -3.911 -19.541 1.00 0.00 N ATOM 0 H LYS A 42 12.870 -2.440 -16.677 1.00 0.00 H new ATOM 0 HA LYS A 42 11.624 0.001 -16.019 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.752 -2.658 -17.140 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.500 -1.535 -16.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.421 0.228 -18.103 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.825 -0.751 -18.478 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.984 -1.698 -19.081 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.913 -0.758 -20.231 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.945 -2.673 -20.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.687 -2.800 -19.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.383 -4.773 -19.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.702 -3.958 -18.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.983 -3.834 -20.052 1.00 0.00 H new ATOM 671 N GLU A 43 11.057 -2.405 -13.873 1.00 0.00 N ATOM 672 CA GLU A 43 10.445 -2.674 -12.541 1.00 0.00 C ATOM 673 C GLU A 43 11.075 -1.760 -11.490 1.00 0.00 C ATOM 674 O GLU A 43 10.382 -1.123 -10.719 1.00 0.00 O ATOM 675 CB GLU A 43 10.686 -4.136 -12.157 1.00 0.00 C ATOM 676 CG GLU A 43 9.878 -4.473 -10.901 1.00 0.00 C ATOM 677 CD GLU A 43 8.393 -4.556 -11.258 1.00 0.00 C ATOM 678 OE1 GLU A 43 8.094 -4.854 -12.402 1.00 0.00 O ATOM 679 OE2 GLU A 43 7.579 -4.319 -10.380 1.00 0.00 O ATOM 0 H GLU A 43 11.662 -3.145 -14.230 1.00 0.00 H new ATOM 0 HA GLU A 43 9.373 -2.481 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.394 -4.792 -12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.747 -4.306 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.216 -5.421 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.038 -3.712 -10.138 1.00 0.00 H new ATOM 686 N THR A 44 12.376 -1.680 -11.447 1.00 0.00 N ATOM 687 CA THR A 44 13.019 -0.791 -10.435 1.00 0.00 C ATOM 688 C THR A 44 12.543 0.632 -10.674 1.00 0.00 C ATOM 689 O THR A 44 12.449 1.430 -9.772 1.00 0.00 O ATOM 690 CB THR A 44 14.553 -0.858 -10.525 1.00 0.00 C ATOM 691 OG1 THR A 44 15.111 -0.334 -9.328 1.00 0.00 O ATOM 692 CG2 THR A 44 15.045 -0.031 -11.714 1.00 0.00 C ATOM 0 H THR A 44 13.017 -2.184 -12.060 1.00 0.00 H new ATOM 0 HA THR A 44 12.736 -1.123 -9.436 1.00 0.00 H new ATOM 0 HB THR A 44 14.861 -1.895 -10.660 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.645 0.461 -9.537 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.132 -0.085 -11.769 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.615 -0.426 -12.635 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.739 1.007 -11.586 1.00 0.00 H new ATOM 700 N PHE A 45 12.235 0.948 -11.890 1.00 0.00 N ATOM 701 CA PHE A 45 11.744 2.318 -12.203 1.00 0.00 C ATOM 702 C PHE A 45 10.331 2.483 -11.632 1.00 0.00 C ATOM 703 O PHE A 45 9.936 3.554 -11.217 1.00 0.00 O ATOM 704 CB PHE A 45 11.708 2.525 -13.714 1.00 0.00 C ATOM 705 CG PHE A 45 13.139 2.547 -14.265 1.00 0.00 C ATOM 706 CD1 PHE A 45 14.190 3.115 -13.514 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.426 1.989 -15.526 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.494 3.124 -14.021 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.733 2.000 -16.022 1.00 0.00 C ATOM 710 CZ PHE A 45 15.766 2.566 -15.271 1.00 0.00 C ATOM 0 H PHE A 45 12.300 0.318 -12.689 1.00 0.00 H new ATOM 0 HA PHE A 45 12.414 3.055 -11.759 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.138 1.726 -14.187 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.202 3.461 -13.951 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.987 3.544 -12.544 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.632 1.550 -16.113 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.293 3.564 -13.443 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.945 1.569 -16.989 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.774 2.572 -15.657 1.00 0.00 H new ATOM 720 N CYS A 46 9.563 1.422 -11.622 1.00 0.00 N ATOM 721 CA CYS A 46 8.172 1.507 -11.096 1.00 0.00 C ATOM 722 C CYS A 46 8.196 1.688 -9.572 1.00 0.00 C ATOM 723 O CYS A 46 7.572 2.582 -9.038 1.00 0.00 O ATOM 724 CB CYS A 46 7.432 0.212 -11.467 1.00 0.00 C ATOM 725 SG CYS A 46 5.907 0.064 -10.502 1.00 0.00 S ATOM 0 H CYS A 46 9.843 0.500 -11.957 1.00 0.00 H new ATOM 0 HA CYS A 46 7.659 2.364 -11.533 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.199 0.210 -12.532 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.074 -0.649 -11.280 1.00 0.00 H new ATOM 730 N ARG A 47 8.918 0.857 -8.868 1.00 0.00 N ATOM 731 CA ARG A 47 8.984 0.999 -7.384 1.00 0.00 C ATOM 732 C ARG A 47 9.795 2.236 -7.044 1.00 0.00 C ATOM 733 O ARG A 47 9.395 3.091 -6.279 1.00 0.00 O ATOM 734 CB ARG A 47 9.721 -0.204 -6.813 1.00 0.00 C ATOM 735 CG ARG A 47 9.088 -0.624 -5.487 1.00 0.00 C ATOM 736 CD ARG A 47 9.064 -2.152 -5.395 1.00 0.00 C ATOM 737 NE ARG A 47 9.917 -2.594 -4.254 1.00 0.00 N ATOM 738 CZ ARG A 47 9.553 -3.611 -3.523 1.00 0.00 C ATOM 739 NH1 ARG A 47 8.928 -4.618 -4.070 1.00 0.00 N ATOM 740 NH2 ARG A 47 9.812 -3.621 -2.244 1.00 0.00 N ATOM 0 H ARG A 47 9.464 0.087 -9.255 1.00 0.00 H new ATOM 0 HA ARG A 47 7.976 1.072 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.685 -1.032 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.772 0.041 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.654 -0.208 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.075 -0.229 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.041 -2.503 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.427 -2.589 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 47 10.785 -2.101 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.724 -4.610 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.643 -5.413 -3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.299 -2.834 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.527 -4.416 -1.672 1.00 0.00 H new ATOM 754 N ALA A 48 10.954 2.296 -7.612 1.00 0.00 N ATOM 755 CA ALA A 48 11.879 3.453 -7.353 1.00 0.00 C ATOM 756 C ALA A 48 11.141 4.767 -7.546 1.00 0.00 C ATOM 757 O ALA A 48 11.379 5.743 -6.871 1.00 0.00 O ATOM 758 CB ALA A 48 13.085 3.414 -8.304 1.00 0.00 C ATOM 0 H ALA A 48 11.318 1.592 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 48 12.233 3.375 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.739 4.261 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.636 2.485 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.737 3.468 -9.335 1.00 0.00 H new ATOM 764 N ALA A 49 10.254 4.793 -8.469 1.00 0.00 N ATOM 765 CA ALA A 49 9.483 6.036 -8.729 1.00 0.00 C ATOM 766 C ALA A 49 8.515 6.280 -7.573 1.00 0.00 C ATOM 767 O ALA A 49 8.284 7.402 -7.167 1.00 0.00 O ATOM 768 CB ALA A 49 8.706 5.888 -10.037 1.00 0.00 C ATOM 0 H ALA A 49 10.017 4.003 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 49 10.165 6.882 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.140 6.799 -10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.403 5.714 -10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.020 5.044 -9.959 1.00 0.00 H new ATOM 774 N THR A 50 7.946 5.237 -7.040 1.00 0.00 N ATOM 775 CA THR A 50 6.994 5.408 -5.911 1.00 0.00 C ATOM 776 C THR A 50 7.737 5.950 -4.688 1.00 0.00 C ATOM 777 O THR A 50 7.242 6.806 -3.983 1.00 0.00 O ATOM 778 CB THR A 50 6.363 4.055 -5.568 1.00 0.00 C ATOM 779 OG1 THR A 50 5.955 3.409 -6.766 1.00 0.00 O ATOM 780 CG2 THR A 50 5.149 4.272 -4.665 1.00 0.00 C ATOM 0 H THR A 50 8.099 4.274 -7.338 1.00 0.00 H new ATOM 0 HA THR A 50 6.213 6.112 -6.199 1.00 0.00 H new ATOM 0 HB THR A 50 7.092 3.433 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.951 2.439 -6.629 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.700 3.309 -4.421 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.463 4.769 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.417 4.893 -5.182 1.00 0.00 H new ATOM 788 N VAL A 51 8.920 5.458 -4.422 1.00 0.00 N ATOM 789 CA VAL A 51 9.669 5.957 -3.233 1.00 0.00 C ATOM 790 C VAL A 51 10.139 7.391 -3.476 1.00 0.00 C ATOM 791 O VAL A 51 9.907 8.262 -2.662 1.00 0.00 O ATOM 792 CB VAL A 51 10.868 5.041 -2.941 1.00 0.00 C ATOM 793 CG1 VAL A 51 10.428 3.577 -3.033 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.981 5.290 -3.957 1.00 0.00 C ATOM 0 H VAL A 51 9.394 4.741 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 51 9.007 5.948 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 51 11.239 5.257 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.279 2.928 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.641 3.387 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.051 3.373 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.825 4.635 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.610 5.083 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.303 6.330 -3.896 1.00 0.00 H new ATOM 804 N LEU A 52 10.780 7.670 -4.581 1.00 0.00 N ATOM 805 CA LEU A 52 11.211 9.072 -4.816 1.00 0.00 C ATOM 806 C LEU A 52 9.971 9.960 -4.738 1.00 0.00 C ATOM 807 O LEU A 52 10.036 11.110 -4.362 1.00 0.00 O ATOM 808 CB LEU A 52 11.879 9.206 -6.192 1.00 0.00 C ATOM 809 CG LEU A 52 10.812 9.266 -7.289 1.00 0.00 C ATOM 810 CD1 LEU A 52 10.291 10.700 -7.419 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.426 8.830 -8.618 1.00 0.00 C ATOM 0 H LEU A 52 11.018 7.002 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 52 11.941 9.373 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.493 10.106 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.544 8.360 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 52 9.988 8.601 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.532 10.742 -8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.855 11.016 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.115 11.364 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.668 8.872 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.249 9.497 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.799 7.810 -8.529 1.00 0.00 H new ATOM 823 N ARG A 53 8.833 9.420 -5.088 1.00 0.00 N ATOM 824 CA ARG A 53 7.576 10.214 -5.028 1.00 0.00 C ATOM 825 C ARG A 53 7.295 10.610 -3.584 1.00 0.00 C ATOM 826 O ARG A 53 7.040 11.759 -3.285 1.00 0.00 O ATOM 827 CB ARG A 53 6.418 9.375 -5.543 1.00 0.00 C ATOM 828 CG ARG A 53 5.254 10.289 -5.934 1.00 0.00 C ATOM 829 CD ARG A 53 4.305 9.540 -6.871 1.00 0.00 C ATOM 830 NE ARG A 53 3.678 8.405 -6.137 1.00 0.00 N ATOM 831 CZ ARG A 53 2.436 8.489 -5.743 1.00 0.00 C ATOM 832 NH1 ARG A 53 2.083 9.414 -4.892 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.550 7.649 -6.201 1.00 0.00 N ATOM 0 H ARG A 53 8.722 8.460 -5.414 1.00 0.00 H new ATOM 0 HA ARG A 53 7.686 11.107 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.737 8.787 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.098 8.670 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.719 10.614 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.632 11.186 -6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.535 10.216 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.851 9.169 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 53 4.219 7.562 -5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.777 10.071 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.113 9.480 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.828 6.927 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.579 7.714 -5.894 1.00 0.00 H new ATOM 847 N GLN A 54 7.326 9.668 -2.681 1.00 0.00 N ATOM 848 CA GLN A 54 7.042 10.010 -1.256 1.00 0.00 C ATOM 849 C GLN A 54 8.127 10.928 -0.702 1.00 0.00 C ATOM 850 O GLN A 54 7.902 11.710 0.197 1.00 0.00 O ATOM 851 CB GLN A 54 6.971 8.726 -0.413 1.00 0.00 C ATOM 852 CG GLN A 54 8.198 7.855 -0.694 1.00 0.00 C ATOM 853 CD GLN A 54 8.209 6.664 0.266 1.00 0.00 C ATOM 854 OE1 GLN A 54 7.197 6.331 0.849 1.00 0.00 O ATOM 855 NE2 GLN A 54 9.318 6.006 0.455 1.00 0.00 N ATOM 0 H GLN A 54 7.533 8.686 -2.864 1.00 0.00 H new ATOM 0 HA GLN A 54 6.084 10.528 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.927 8.977 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.060 8.175 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.179 7.504 -1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.109 8.441 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.167 6.287 -0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.337 5.210 1.093 1.00 0.00 H new ATOM 864 N PHE A 55 9.303 10.811 -1.213 1.00 0.00 N ATOM 865 CA PHE A 55 10.436 11.644 -0.708 1.00 0.00 C ATOM 866 C PHE A 55 10.281 13.118 -1.106 1.00 0.00 C ATOM 867 O PHE A 55 10.352 13.999 -0.271 1.00 0.00 O ATOM 868 CB PHE A 55 11.734 11.105 -1.311 1.00 0.00 C ATOM 869 CG PHE A 55 12.885 11.995 -0.923 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.088 12.331 0.418 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.753 12.481 -1.907 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.158 13.157 0.779 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.825 13.307 -1.548 1.00 0.00 C ATOM 874 CZ PHE A 55 15.027 13.644 -0.205 1.00 0.00 C ATOM 0 H PHE A 55 9.544 10.170 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 55 10.448 11.588 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.914 10.089 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.649 11.057 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.418 11.953 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.596 12.219 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.313 13.419 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.495 13.684 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.854 14.280 0.073 1.00 0.00 H new ATOM 884 N TYR A 56 10.083 13.404 -2.365 1.00 0.00 N ATOM 885 CA TYR A 56 9.941 14.835 -2.781 1.00 0.00 C ATOM 886 C TYR A 56 8.574 15.398 -2.322 1.00 0.00 C ATOM 887 O TYR A 56 8.501 16.516 -1.851 1.00 0.00 O ATOM 888 CB TYR A 56 10.126 14.991 -4.312 1.00 0.00 C ATOM 889 CG TYR A 56 8.829 14.763 -5.053 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.868 15.779 -5.105 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.591 13.540 -5.695 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.669 15.574 -5.794 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.389 13.336 -6.385 1.00 0.00 C ATOM 894 CZ TYR A 56 6.428 14.352 -6.434 1.00 0.00 C ATOM 895 OH TYR A 56 5.243 14.152 -7.112 1.00 0.00 O ATOM 0 H TYR A 56 10.014 12.719 -3.118 1.00 0.00 H new ATOM 0 HA TYR A 56 10.727 15.413 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.502 15.990 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.876 14.282 -4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.053 16.722 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.333 12.756 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.928 16.359 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.204 12.394 -6.880 1.00 0.00 H new ATOM 0 HH TYR A 56 5.256 13.270 -7.540 1.00 0.00 H new ATOM 905 N SER A 57 7.478 14.657 -2.453 1.00 0.00 N ATOM 906 CA SER A 57 6.160 15.208 -2.018 1.00 0.00 C ATOM 907 C SER A 57 6.078 15.282 -0.489 1.00 0.00 C ATOM 908 O SER A 57 5.558 16.228 0.068 1.00 0.00 O ATOM 909 CB SER A 57 5.040 14.308 -2.542 1.00 0.00 C ATOM 910 OG SER A 57 5.390 13.813 -3.824 1.00 0.00 O ATOM 0 H SER A 57 7.452 13.712 -2.837 1.00 0.00 H new ATOM 0 HA SER A 57 6.053 16.215 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.873 13.479 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.106 14.868 -2.599 1.00 0.00 H new ATOM 0 HG SER A 57 5.774 14.538 -4.361 1.00 0.00 H new ATOM 916 N HIS A 58 6.552 14.274 0.191 1.00 0.00 N ATOM 917 CA HIS A 58 6.465 14.266 1.682 1.00 0.00 C ATOM 918 C HIS A 58 7.398 15.309 2.296 1.00 0.00 C ATOM 919 O HIS A 58 7.129 15.834 3.357 1.00 0.00 O ATOM 920 CB HIS A 58 6.848 12.881 2.207 1.00 0.00 C ATOM 921 CG HIS A 58 6.543 12.801 3.678 1.00 0.00 C ATOM 922 ND1 HIS A 58 7.533 12.893 4.643 1.00 0.00 N ATOM 923 CD2 HIS A 58 5.365 12.639 4.362 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.938 12.785 5.844 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.617 12.629 5.730 1.00 0.00 N ATOM 0 H HIS A 58 6.997 13.454 -0.221 1.00 0.00 H new ATOM 0 HA HIS A 58 5.440 14.508 1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.297 12.111 1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.908 12.695 2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.391 12.535 3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.465 12.820 6.786 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.938 12.525 6.484 1.00 0.00 H new ATOM 933 N HIS A 59 8.496 15.616 1.661 1.00 0.00 N ATOM 934 CA HIS A 59 9.415 16.619 2.252 1.00 0.00 C ATOM 935 C HIS A 59 8.769 18.000 2.178 1.00 0.00 C ATOM 936 O HIS A 59 8.631 18.649 3.187 1.00 0.00 O ATOM 937 CB HIS A 59 10.712 16.618 1.447 1.00 0.00 C ATOM 938 CG HIS A 59 11.813 15.994 2.261 1.00 0.00 C ATOM 939 ND1 HIS A 59 12.734 16.753 2.962 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.154 14.683 2.488 1.00 0.00 C ATOM 941 CE1 HIS A 59 13.580 15.901 3.573 1.00 0.00 C ATOM 942 NE2 HIS A 59 13.270 14.628 3.318 1.00 0.00 N ATOM 0 H HIS A 59 8.791 15.219 0.769 1.00 0.00 H new ATOM 0 HA HIS A 59 9.622 16.375 3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.575 16.064 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.982 17.638 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.636 13.826 2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 59 14.408 16.210 4.193 1.00 0.00 H new ATOM 0 HE2 HIS A 59 13.748 13.794 3.658 1.00 0.00 H new ATOM 950 N GLU A 60 8.338 18.403 0.991 1.00 0.00 N ATOM 951 CA GLU A 60 7.660 19.733 0.772 1.00 0.00 C ATOM 952 C GLU A 60 7.831 20.652 1.982 1.00 0.00 C ATOM 953 O GLU A 60 6.898 21.287 2.428 1.00 0.00 O ATOM 954 CB GLU A 60 6.178 19.483 0.517 1.00 0.00 C ATOM 955 CG GLU A 60 5.952 19.295 -0.983 1.00 0.00 C ATOM 956 CD GLU A 60 4.619 19.934 -1.384 1.00 0.00 C ATOM 957 OE1 GLU A 60 3.595 19.316 -1.149 1.00 0.00 O ATOM 958 OE2 GLU A 60 4.648 21.030 -1.919 1.00 0.00 O ATOM 0 H GLU A 60 8.433 17.845 0.142 1.00 0.00 H new ATOM 0 HA GLU A 60 8.118 20.228 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.847 18.598 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.587 20.322 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.768 19.750 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.947 18.233 -1.230 1.00 0.00 H new ATOM 965 N LYS A 61 9.022 20.683 2.513 1.00 0.00 N ATOM 966 CA LYS A 61 9.340 21.491 3.724 1.00 0.00 C ATOM 967 C LYS A 61 10.426 20.706 4.472 1.00 0.00 C ATOM 968 O LYS A 61 11.478 20.444 3.923 1.00 0.00 O ATOM 969 CB LYS A 61 8.091 21.645 4.622 1.00 0.00 C ATOM 970 CG LYS A 61 7.456 20.270 4.861 1.00 0.00 C ATOM 971 CD LYS A 61 6.566 20.329 6.103 1.00 0.00 C ATOM 972 CE LYS A 61 5.247 19.609 5.822 1.00 0.00 C ATOM 973 NZ LYS A 61 4.747 18.983 7.078 1.00 0.00 N ATOM 0 H LYS A 61 9.817 20.162 2.143 1.00 0.00 H new ATOM 0 HA LYS A 61 9.670 22.495 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.369 22.099 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.371 22.312 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.868 19.973 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.233 19.517 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.073 19.864 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.375 21.367 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.511 20.314 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.392 18.847 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.850 18.493 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.448 18.299 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.594 19.720 7.796 1.00 0.00 H new ATOM 987 N ASP A 62 10.192 20.296 5.696 1.00 0.00 N ATOM 988 CA ASP A 62 11.229 19.508 6.410 1.00 0.00 C ATOM 989 C ASP A 62 12.594 20.164 6.191 1.00 0.00 C ATOM 990 O ASP A 62 13.520 19.559 5.691 1.00 0.00 O ATOM 991 CB ASP A 62 11.233 18.071 5.872 1.00 0.00 C ATOM 992 CG ASP A 62 12.436 17.315 6.440 1.00 0.00 C ATOM 993 OD1 ASP A 62 12.332 16.825 7.553 1.00 0.00 O ATOM 994 OD2 ASP A 62 13.442 17.237 5.757 1.00 0.00 O ATOM 0 H ASP A 62 9.336 20.474 6.221 1.00 0.00 H new ATOM 0 HA ASP A 62 11.014 19.483 7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.308 17.565 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.277 18.080 4.783 1.00 0.00 H new ATOM 999 N THR A 63 12.709 21.407 6.567 1.00 0.00 N ATOM 1000 CA THR A 63 13.996 22.139 6.396 1.00 0.00 C ATOM 1001 C THR A 63 15.157 21.237 6.805 1.00 0.00 C ATOM 1002 O THR A 63 16.266 21.403 6.350 1.00 0.00 O ATOM 1003 CB THR A 63 13.990 23.390 7.278 1.00 0.00 C ATOM 1004 OG1 THR A 63 12.960 23.278 8.250 1.00 0.00 O ATOM 1005 CG2 THR A 63 13.747 24.627 6.412 1.00 0.00 C ATOM 0 H THR A 63 11.958 21.953 6.990 1.00 0.00 H new ATOM 0 HA THR A 63 14.112 22.428 5.351 1.00 0.00 H new ATOM 0 HB THR A 63 14.953 23.486 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.956 24.078 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.743 25.517 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 63 14.540 24.712 5.669 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.785 24.535 5.908 1.00 0.00 H new ATOM 1013 N ARG A 64 14.905 20.288 7.667 1.00 0.00 N ATOM 1014 CA ARG A 64 15.982 19.362 8.119 1.00 0.00 C ATOM 1015 C ARG A 64 16.745 18.840 6.905 1.00 0.00 C ATOM 1016 O ARG A 64 16.418 17.812 6.345 1.00 0.00 O ATOM 1017 CB ARG A 64 15.360 18.187 8.877 1.00 0.00 C ATOM 1018 CG ARG A 64 16.455 17.192 9.263 1.00 0.00 C ATOM 1019 CD ARG A 64 15.870 15.780 9.307 1.00 0.00 C ATOM 1020 NE ARG A 64 15.842 15.298 10.717 1.00 0.00 N ATOM 1021 CZ ARG A 64 15.367 14.114 10.993 1.00 0.00 C ATOM 1022 NH1 ARG A 64 14.247 13.718 10.454 1.00 0.00 N ATOM 1023 NH2 ARG A 64 16.014 13.325 11.808 1.00 0.00 N ATOM 0 H ARG A 64 13.989 20.114 8.081 1.00 0.00 H new ATOM 0 HA ARG A 64 16.668 19.895 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.849 18.546 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.610 17.696 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.272 17.236 8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.873 17.454 10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.863 15.779 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.469 15.107 8.693 1.00 0.00 H new ATOM 0 HE ARG A 64 16.194 15.894 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.742 14.334 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.876 12.793 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.890 13.634 12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.643 12.400 12.024 1.00 0.00 H new ATOM 1037 N CYS A 65 17.747 19.562 6.493 1.00 0.00 N ATOM 1038 CA CYS A 65 18.560 19.159 5.304 1.00 0.00 C ATOM 1039 C CYS A 65 17.889 19.671 4.025 1.00 0.00 C ATOM 1040 O CYS A 65 18.542 19.958 3.042 1.00 0.00 O ATOM 1041 CB CYS A 65 18.686 17.634 5.240 1.00 0.00 C ATOM 1042 SG CYS A 65 20.357 17.185 4.702 1.00 0.00 S ATOM 0 H CYS A 65 18.046 20.431 6.936 1.00 0.00 H new ATOM 0 HA CYS A 65 19.556 19.593 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 65 18.479 17.200 6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 65 17.948 17.227 4.548 1.00 0.00 H new ATOM 1047 N LEU A 66 16.591 19.794 4.024 1.00 0.00 N ATOM 1048 CA LEU A 66 15.897 20.292 2.804 1.00 0.00 C ATOM 1049 C LEU A 66 16.350 21.726 2.518 1.00 0.00 C ATOM 1050 O LEU A 66 16.601 22.093 1.388 1.00 0.00 O ATOM 1051 CB LEU A 66 14.383 20.259 3.023 1.00 0.00 C ATOM 1052 CG LEU A 66 13.688 21.085 1.937 1.00 0.00 C ATOM 1053 CD1 LEU A 66 12.418 20.365 1.483 1.00 0.00 C ATOM 1054 CD2 LEU A 66 13.321 22.459 2.501 1.00 0.00 C ATOM 0 H LEU A 66 15.983 19.572 4.812 1.00 0.00 H new ATOM 0 HA LEU A 66 16.146 19.656 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.024 19.230 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.139 20.657 4.008 1.00 0.00 H new ATOM 0 HG LEU A 66 14.359 21.207 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.923 20.953 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.679 19.385 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.746 20.243 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.826 23.049 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.649 22.336 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.226 22.973 2.826 1.00 0.00 H new ATOM 1066 N GLY A 67 16.461 22.541 3.532 1.00 0.00 N ATOM 1067 CA GLY A 67 16.900 23.945 3.307 1.00 0.00 C ATOM 1068 C GLY A 67 17.923 24.354 4.381 1.00 0.00 C ATOM 1069 O GLY A 67 19.102 24.464 4.107 1.00 0.00 O ATOM 0 H GLY A 67 16.267 22.295 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.342 24.042 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.040 24.613 3.339 1.00 0.00 H new ATOM 1073 N ALA A 68 17.488 24.595 5.601 1.00 0.00 N ATOM 1074 CA ALA A 68 18.450 25.011 6.666 1.00 0.00 C ATOM 1075 C ALA A 68 18.807 26.492 6.478 1.00 0.00 C ATOM 1076 O ALA A 68 19.525 27.074 7.265 1.00 0.00 O ATOM 1077 CB ALA A 68 19.720 24.161 6.574 1.00 0.00 C ATOM 0 H ALA A 68 16.515 24.521 5.898 1.00 0.00 H new ATOM 0 HA ALA A 68 17.993 24.868 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.420 24.467 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 68 19.465 23.110 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 68 20.181 24.300 5.596 1.00 0.00 H new ATOM 1083 N THR A 69 18.307 27.098 5.435 1.00 0.00 N ATOM 1084 CA THR A 69 18.599 28.533 5.169 1.00 0.00 C ATOM 1085 C THR A 69 17.632 29.014 4.089 1.00 0.00 C ATOM 1086 O THR A 69 17.500 28.371 3.074 1.00 0.00 O ATOM 1087 CB THR A 69 20.037 28.673 4.663 1.00 0.00 C ATOM 1088 OG1 THR A 69 20.632 27.386 4.572 1.00 0.00 O ATOM 1089 CG2 THR A 69 20.840 29.541 5.631 1.00 0.00 C ATOM 0 H THR A 69 17.700 26.652 4.747 1.00 0.00 H new ATOM 0 HA THR A 69 18.483 29.123 6.078 1.00 0.00 H new ATOM 0 HB THR A 69 20.032 29.142 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 69 21.552 27.473 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 69 21.863 29.639 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.383 30.528 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 69 20.847 29.076 6.617 1.00 0.00 H new ATOM 1097 N ALA A 70 16.949 30.125 4.264 1.00 0.00 N ATOM 1098 CA ALA A 70 16.025 30.565 3.190 1.00 0.00 C ATOM 1099 C ALA A 70 16.782 30.495 1.868 1.00 0.00 C ATOM 1100 O ALA A 70 16.212 30.275 0.819 1.00 0.00 O ATOM 1101 CB ALA A 70 15.570 32.003 3.452 1.00 0.00 C ATOM 0 H ALA A 70 16.995 30.727 5.086 1.00 0.00 H new ATOM 0 HA ALA A 70 15.143 29.925 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.892 32.320 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.056 32.053 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.438 32.662 3.471 1.00 0.00 H new ATOM 1107 N GLN A 71 18.078 30.659 1.920 1.00 0.00 N ATOM 1108 CA GLN A 71 18.884 30.573 0.670 1.00 0.00 C ATOM 1109 C GLN A 71 18.927 29.118 0.208 1.00 0.00 C ATOM 1110 O GLN A 71 18.723 28.816 -0.953 1.00 0.00 O ATOM 1111 CB GLN A 71 20.305 31.074 0.936 1.00 0.00 C ATOM 1112 CG GLN A 71 20.956 31.478 -0.389 1.00 0.00 C ATOM 1113 CD GLN A 71 20.185 32.648 -1.001 1.00 0.00 C ATOM 1114 OE1 GLN A 71 20.132 33.720 -0.431 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.580 32.488 -2.146 1.00 0.00 N ATOM 0 H GLN A 71 18.609 30.848 2.770 1.00 0.00 H new ATOM 0 HA GLN A 71 18.431 31.192 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.281 31.925 1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.893 30.294 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.996 31.761 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.961 30.632 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.624 31.588 -2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.063 33.262 -2.562 1.00 0.00 H new ATOM 1124 N GLN A 72 19.190 28.216 1.111 1.00 0.00 N ATOM 1125 CA GLN A 72 19.247 26.776 0.740 1.00 0.00 C ATOM 1126 C GLN A 72 17.893 26.345 0.175 1.00 0.00 C ATOM 1127 O GLN A 72 17.805 25.457 -0.649 1.00 0.00 O ATOM 1128 CB GLN A 72 19.572 25.949 1.986 1.00 0.00 C ATOM 1129 CG GLN A 72 20.735 24.980 1.709 1.00 0.00 C ATOM 1130 CD GLN A 72 20.601 24.387 0.302 1.00 0.00 C ATOM 1131 OE1 GLN A 72 19.619 23.742 -0.006 1.00 0.00 O ATOM 1132 NE2 GLN A 72 21.553 24.581 -0.567 1.00 0.00 N ATOM 0 H GLN A 72 19.369 28.416 2.095 1.00 0.00 H new ATOM 0 HA GLN A 72 20.019 26.618 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.834 26.612 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.691 25.388 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 72 21.686 25.504 1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.738 24.181 2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 72 22.377 25.123 -0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 72 21.473 24.191 -1.506 1.00 0.00 H new ATOM 1141 N PHE A 73 16.837 26.969 0.616 1.00 0.00 N ATOM 1142 CA PHE A 73 15.486 26.606 0.115 1.00 0.00 C ATOM 1143 C PHE A 73 15.439 26.783 -1.402 1.00 0.00 C ATOM 1144 O PHE A 73 14.744 26.068 -2.092 1.00 0.00 O ATOM 1145 CB PHE A 73 14.438 27.507 0.774 1.00 0.00 C ATOM 1146 CG PHE A 73 13.069 27.156 0.240 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.702 27.544 -1.053 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.167 26.444 1.040 1.00 0.00 C ATOM 1149 CE1 PHE A 73 11.433 27.220 -1.548 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.898 26.120 0.545 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.531 26.508 -0.748 1.00 0.00 C ATOM 0 H PHE A 73 16.854 27.720 1.307 1.00 0.00 H new ATOM 0 HA PHE A 73 15.273 25.566 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.462 27.380 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.663 28.554 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.398 28.094 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.450 26.145 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 73 11.150 27.519 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.202 25.570 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.552 26.258 -1.129 1.00 0.00 H new ATOM 1161 N HIS A 74 16.170 27.726 -1.933 1.00 0.00 N ATOM 1162 CA HIS A 74 16.152 27.923 -3.409 1.00 0.00 C ATOM 1163 C HIS A 74 16.579 26.639 -4.089 1.00 0.00 C ATOM 1164 O HIS A 74 16.036 26.226 -5.093 1.00 0.00 O ATOM 1165 CB HIS A 74 17.108 29.053 -3.791 1.00 0.00 C ATOM 1166 CG HIS A 74 16.676 29.658 -5.098 1.00 0.00 C ATOM 1167 ND1 HIS A 74 15.798 29.014 -5.956 1.00 0.00 N ATOM 1168 CD2 HIS A 74 16.992 30.847 -5.708 1.00 0.00 C ATOM 1169 CE1 HIS A 74 15.618 29.810 -7.025 1.00 0.00 C ATOM 1170 NE2 HIS A 74 16.322 30.940 -6.925 1.00 0.00 N ATOM 0 H HIS A 74 16.774 28.363 -1.413 1.00 0.00 H new ATOM 0 HA HIS A 74 15.144 28.187 -3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.117 29.815 -3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.125 28.670 -3.874 1.00 0.00 H new ATOM 0 HD1 HIS A 74 15.367 28.102 -5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.658 31.596 -5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.981 29.565 -7.862 1.00 0.00 H new ATOM 1178 N ARG A 75 17.537 26.007 -3.521 1.00 0.00 N ATOM 1179 CA ARG A 75 18.032 24.721 -4.080 1.00 0.00 C ATOM 1180 C ARG A 75 16.958 23.658 -3.859 1.00 0.00 C ATOM 1181 O ARG A 75 16.583 22.939 -4.760 1.00 0.00 O ATOM 1182 CB ARG A 75 19.318 24.308 -3.362 1.00 0.00 C ATOM 1183 CG ARG A 75 20.444 24.141 -4.385 1.00 0.00 C ATOM 1184 CD ARG A 75 20.856 22.669 -4.455 1.00 0.00 C ATOM 1185 NE ARG A 75 22.157 22.482 -3.751 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.272 22.492 -4.429 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.859 23.626 -4.705 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.802 21.369 -4.831 1.00 0.00 N ATOM 0 H ARG A 75 18.016 26.321 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 75 18.242 24.830 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.592 25.061 -2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.162 23.374 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.113 24.484 -5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.299 24.756 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.090 22.044 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.945 22.354 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 75 22.175 22.346 -2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.446 24.504 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.731 23.633 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.345 20.483 -4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.673 21.377 -5.361 1.00 0.00 H new ATOM 1202 N HIS A 76 16.458 23.564 -2.660 1.00 0.00 N ATOM 1203 CA HIS A 76 15.395 22.554 -2.362 1.00 0.00 C ATOM 1204 C HIS A 76 14.286 22.664 -3.416 1.00 0.00 C ATOM 1205 O HIS A 76 13.682 21.681 -3.797 1.00 0.00 O ATOM 1206 CB HIS A 76 14.824 22.801 -0.941 1.00 0.00 C ATOM 1207 CG HIS A 76 13.329 22.590 -0.902 1.00 0.00 C ATOM 1208 ND1 HIS A 76 12.742 21.370 -1.196 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.294 23.441 -0.602 1.00 0.00 C ATOM 1210 CE1 HIS A 76 11.410 21.520 -1.067 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.084 22.763 -0.706 1.00 0.00 N ATOM 0 H HIS A 76 16.738 24.143 -1.868 1.00 0.00 H new ATOM 0 HA HIS A 76 15.817 21.550 -2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.306 22.128 -0.232 1.00 0.00 H new ATOM 0 HB3 HIS A 76 15.058 23.818 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.403 24.480 -0.327 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.693 20.730 -1.235 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.149 23.136 -0.542 1.00 0.00 H new ATOM 1219 N LYS A 77 14.005 23.848 -3.882 1.00 0.00 N ATOM 1220 CA LYS A 77 12.920 24.005 -4.900 1.00 0.00 C ATOM 1221 C LYS A 77 13.372 23.418 -6.240 1.00 0.00 C ATOM 1222 O LYS A 77 12.628 22.746 -6.917 1.00 0.00 O ATOM 1223 CB LYS A 77 12.548 25.503 -5.050 1.00 0.00 C ATOM 1224 CG LYS A 77 13.134 26.118 -6.331 1.00 0.00 C ATOM 1225 CD LYS A 77 12.334 25.644 -7.547 1.00 0.00 C ATOM 1226 CE LYS A 77 11.996 26.842 -8.436 1.00 0.00 C ATOM 1227 NZ LYS A 77 10.580 27.244 -8.209 1.00 0.00 N ATOM 0 H LYS A 77 14.474 24.711 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 77 12.034 23.463 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.463 25.607 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.912 26.055 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.107 27.206 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.180 25.831 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.910 24.911 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.419 25.149 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.662 27.675 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.149 26.585 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.329 28.014 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.956 26.429 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.465 27.570 -7.228 1.00 0.00 H new ATOM 1241 N GLN A 78 14.573 23.706 -6.636 1.00 0.00 N ATOM 1242 CA GLN A 78 15.071 23.211 -7.954 1.00 0.00 C ATOM 1243 C GLN A 78 15.190 21.680 -7.985 1.00 0.00 C ATOM 1244 O GLN A 78 14.738 21.040 -8.910 1.00 0.00 O ATOM 1245 CB GLN A 78 16.444 23.826 -8.229 1.00 0.00 C ATOM 1246 CG GLN A 78 17.054 23.178 -9.474 1.00 0.00 C ATOM 1247 CD GLN A 78 17.376 24.259 -10.508 1.00 0.00 C ATOM 1248 OE1 GLN A 78 18.387 24.925 -10.412 1.00 0.00 O ATOM 1249 NE2 GLN A 78 16.553 24.462 -11.500 1.00 0.00 N ATOM 0 H GLN A 78 15.240 24.266 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 78 14.352 23.506 -8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.349 24.902 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.099 23.677 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.960 22.634 -9.207 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.359 22.452 -9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.704 23.903 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 78 16.759 25.180 -12.195 1.00 0.00 H new ATOM 1258 N LEU A 79 15.826 21.088 -7.012 1.00 0.00 N ATOM 1259 CA LEU A 79 15.999 19.608 -7.026 1.00 0.00 C ATOM 1260 C LEU A 79 14.685 18.894 -6.754 1.00 0.00 C ATOM 1261 O LEU A 79 14.315 18.013 -7.482 1.00 0.00 O ATOM 1262 CB LEU A 79 17.036 19.198 -5.980 1.00 0.00 C ATOM 1263 CG LEU A 79 18.428 19.630 -6.446 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.902 20.817 -5.607 1.00 0.00 C ATOM 1265 CD2 LEU A 79 19.406 18.465 -6.279 1.00 0.00 C ATOM 0 H LEU A 79 16.233 21.565 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 79 16.343 19.318 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.803 19.659 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 79 17.010 18.119 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 79 18.385 19.921 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.894 21.124 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.206 21.647 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.945 20.527 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.398 18.772 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.449 18.173 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 79 19.069 17.619 -6.877 1.00 0.00 H new ATOM 1277 N ILE A 80 13.981 19.246 -5.718 1.00 0.00 N ATOM 1278 CA ILE A 80 12.692 18.546 -5.441 1.00 0.00 C ATOM 1279 C ILE A 80 11.692 18.873 -6.561 1.00 0.00 C ATOM 1280 O ILE A 80 10.833 18.079 -6.884 1.00 0.00 O ATOM 1281 CB ILE A 80 12.141 19.011 -4.088 1.00 0.00 C ATOM 1282 CG1 ILE A 80 12.788 18.171 -2.979 1.00 0.00 C ATOM 1283 CG2 ILE A 80 10.615 18.840 -4.046 1.00 0.00 C ATOM 1284 CD1 ILE A 80 11.948 18.235 -1.702 1.00 0.00 C ATOM 0 H ILE A 80 14.235 19.979 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 80 12.852 17.468 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 80 12.374 20.066 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.884 17.136 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 80 13.795 18.536 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.238 19.174 -3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.160 19.435 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.362 17.790 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.421 17.634 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.875 19.269 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.949 17.847 -1.904 1.00 0.00 H new ATOM 1296 N ARG A 81 11.802 20.029 -7.164 1.00 0.00 N ATOM 1297 CA ARG A 81 10.851 20.371 -8.264 1.00 0.00 C ATOM 1298 C ARG A 81 11.148 19.439 -9.423 1.00 0.00 C ATOM 1299 O ARG A 81 10.286 18.757 -9.938 1.00 0.00 O ATOM 1300 CB ARG A 81 11.072 21.811 -8.718 1.00 0.00 C ATOM 1301 CG ARG A 81 10.171 22.113 -9.917 1.00 0.00 C ATOM 1302 CD ARG A 81 8.849 22.704 -9.426 1.00 0.00 C ATOM 1303 NE ARG A 81 8.087 23.249 -10.584 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.937 24.539 -10.716 1.00 0.00 C ATOM 1305 NH1 ARG A 81 8.926 25.342 -10.439 1.00 0.00 N ATOM 1306 NH2 ARG A 81 6.798 25.024 -11.127 1.00 0.00 N ATOM 0 H ARG A 81 12.499 20.742 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 81 9.822 20.265 -7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.851 22.499 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.117 21.962 -8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.666 22.812 -10.590 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.985 21.201 -10.485 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.262 21.938 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.039 23.493 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 81 7.683 22.615 -11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.817 24.962 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.809 26.350 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.025 24.395 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.680 26.032 -11.230 1.00 0.00 H new ATOM 1320 N PHE A 82 12.388 19.378 -9.797 1.00 0.00 N ATOM 1321 CA PHE A 82 12.799 18.471 -10.870 1.00 0.00 C ATOM 1322 C PHE A 82 12.531 17.049 -10.374 1.00 0.00 C ATOM 1323 O PHE A 82 12.257 16.152 -11.143 1.00 0.00 O ATOM 1324 CB PHE A 82 14.282 18.702 -11.146 1.00 0.00 C ATOM 1325 CG PHE A 82 14.436 19.770 -12.202 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.088 21.095 -11.913 1.00 0.00 C ATOM 1327 CD2 PHE A 82 14.925 19.437 -13.471 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.230 22.086 -12.892 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.068 20.428 -14.450 1.00 0.00 C ATOM 1330 CZ PHE A 82 14.720 21.752 -14.160 1.00 0.00 C ATOM 0 H PHE A 82 13.142 19.933 -9.391 1.00 0.00 H new ATOM 0 HA PHE A 82 12.253 18.639 -11.798 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.791 19.004 -10.231 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.750 17.776 -11.479 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.710 21.353 -10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.192 18.415 -13.695 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.961 23.108 -12.669 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.447 20.171 -15.428 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.830 22.517 -14.915 1.00 0.00 H new ATOM 1340 N LEU A 83 12.583 16.852 -9.077 1.00 0.00 N ATOM 1341 CA LEU A 83 12.303 15.511 -8.507 1.00 0.00 C ATOM 1342 C LEU A 83 10.855 15.154 -8.813 1.00 0.00 C ATOM 1343 O LEU A 83 10.505 14.012 -9.026 1.00 0.00 O ATOM 1344 CB LEU A 83 12.531 15.583 -6.998 1.00 0.00 C ATOM 1345 CG LEU A 83 14.012 15.334 -6.708 1.00 0.00 C ATOM 1346 CD1 LEU A 83 14.321 15.585 -5.229 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.351 13.884 -7.041 1.00 0.00 C ATOM 0 H LEU A 83 12.810 17.572 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 83 12.955 14.749 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.232 16.560 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.917 14.841 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 83 14.606 16.015 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.379 15.403 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.081 16.618 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.723 14.913 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.406 13.701 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.742 13.218 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.148 13.696 -8.095 1.00 0.00 H new ATOM 1359 N LYS A 84 10.028 16.148 -8.853 1.00 0.00 N ATOM 1360 CA LYS A 84 8.590 15.929 -9.169 1.00 0.00 C ATOM 1361 C LYS A 84 8.461 15.553 -10.642 1.00 0.00 C ATOM 1362 O LYS A 84 7.834 14.571 -10.988 1.00 0.00 O ATOM 1363 CB LYS A 84 7.802 17.211 -8.892 1.00 0.00 C ATOM 1364 CG LYS A 84 6.305 16.933 -9.044 1.00 0.00 C ATOM 1365 CD LYS A 84 5.510 18.149 -8.563 1.00 0.00 C ATOM 1366 CE LYS A 84 4.016 17.906 -8.792 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.230 18.636 -7.758 1.00 0.00 N ATOM 0 H LYS A 84 10.285 17.119 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 84 8.192 15.127 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.015 17.571 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.109 17.996 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.068 16.719 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.027 16.051 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.702 18.327 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.830 19.042 -9.100 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.730 18.245 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.799 16.839 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.215 18.471 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.496 18.293 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.430 19.654 -7.825 1.00 0.00 H new ATOM 1381 N ARG A 85 9.061 16.315 -11.520 1.00 0.00 N ATOM 1382 CA ARG A 85 8.974 15.973 -12.963 1.00 0.00 C ATOM 1383 C ARG A 85 9.473 14.547 -13.135 1.00 0.00 C ATOM 1384 O ARG A 85 9.005 13.795 -13.967 1.00 0.00 O ATOM 1385 CB ARG A 85 9.846 16.930 -13.780 1.00 0.00 C ATOM 1386 CG ARG A 85 9.235 18.332 -13.743 1.00 0.00 C ATOM 1387 CD ARG A 85 10.192 19.322 -14.410 1.00 0.00 C ATOM 1388 NE ARG A 85 10.021 19.260 -15.889 1.00 0.00 N ATOM 1389 CZ ARG A 85 10.660 20.100 -16.655 1.00 0.00 C ATOM 1390 NH1 ARG A 85 10.179 21.296 -16.857 1.00 0.00 N ATOM 1391 NH2 ARG A 85 11.782 19.744 -17.218 1.00 0.00 N ATOM 0 H ARG A 85 9.602 17.151 -11.299 1.00 0.00 H new ATOM 0 HA ARG A 85 7.945 16.062 -13.312 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.858 16.952 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.921 16.581 -14.810 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.274 18.335 -14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.046 18.631 -12.712 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.994 20.332 -14.053 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.222 19.085 -14.142 1.00 0.00 H new ATOM 0 HE ARG A 85 9.404 18.561 -16.302 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.303 21.574 -16.416 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.679 21.952 -17.456 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.158 18.809 -17.059 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.283 20.400 -17.817 1.00 0.00 H new ATOM 1405 N LEU A 86 10.421 14.180 -12.335 1.00 0.00 N ATOM 1406 CA LEU A 86 10.982 12.805 -12.400 1.00 0.00 C ATOM 1407 C LEU A 86 9.944 11.797 -11.891 1.00 0.00 C ATOM 1408 O LEU A 86 9.860 10.689 -12.379 1.00 0.00 O ATOM 1409 CB LEU A 86 12.238 12.725 -11.529 1.00 0.00 C ATOM 1410 CG LEU A 86 12.850 11.325 -11.637 1.00 0.00 C ATOM 1411 CD1 LEU A 86 12.925 10.910 -13.108 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.258 11.338 -11.040 1.00 0.00 C ATOM 0 H LEU A 86 10.841 14.781 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 86 11.237 12.569 -13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.962 13.475 -11.848 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.988 12.944 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 86 12.228 10.615 -11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.361 9.914 -13.183 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.922 10.901 -13.535 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.546 11.620 -13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.695 10.342 -11.116 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.878 12.049 -11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.206 11.632 -9.992 1.00 0.00 H new ATOM 1424 N ASP A 87 9.158 12.160 -10.907 1.00 0.00 N ATOM 1425 CA ASP A 87 8.147 11.209 -10.377 1.00 0.00 C ATOM 1426 C ASP A 87 7.044 10.962 -11.413 1.00 0.00 C ATOM 1427 O ASP A 87 6.629 9.842 -11.636 1.00 0.00 O ATOM 1428 CB ASP A 87 7.521 11.799 -9.114 1.00 0.00 C ATOM 1429 CG ASP A 87 6.454 10.839 -8.590 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.802 9.712 -8.281 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.307 11.247 -8.508 1.00 0.00 O ATOM 0 H ASP A 87 9.177 13.073 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 87 8.638 10.262 -10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.287 11.961 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.078 12.771 -9.332 1.00 0.00 H new ATOM 1436 N ARG A 88 6.551 11.999 -12.031 1.00 0.00 N ATOM 1437 CA ARG A 88 5.457 11.828 -13.033 1.00 0.00 C ATOM 1438 C ARG A 88 5.979 11.135 -14.298 1.00 0.00 C ATOM 1439 O ARG A 88 5.367 10.224 -14.815 1.00 0.00 O ATOM 1440 CB ARG A 88 4.902 13.203 -13.407 1.00 0.00 C ATOM 1441 CG ARG A 88 3.648 13.032 -14.267 1.00 0.00 C ATOM 1442 CD ARG A 88 2.413 13.428 -13.455 1.00 0.00 C ATOM 1443 NE ARG A 88 1.708 14.548 -14.139 1.00 0.00 N ATOM 1444 CZ ARG A 88 1.065 15.440 -13.436 1.00 0.00 C ATOM 1445 NH1 ARG A 88 0.626 15.139 -12.244 1.00 0.00 N ATOM 1446 NH2 ARG A 88 0.857 16.632 -13.925 1.00 0.00 N ATOM 0 H ARG A 88 6.858 12.961 -11.886 1.00 0.00 H new ATOM 0 HA ARG A 88 4.675 11.209 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.663 13.768 -12.506 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.654 13.774 -13.951 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.721 13.650 -15.162 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.561 11.998 -14.600 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.744 12.574 -13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.707 13.729 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 88 1.728 14.618 -15.156 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.786 14.207 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.123 15.836 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.197 16.867 -14.857 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.354 17.328 -13.375 1.00 0.00 H new ATOM 1460 N ASN A 89 7.092 11.577 -14.815 1.00 0.00 N ATOM 1461 CA ASN A 89 7.642 10.967 -16.064 1.00 0.00 C ATOM 1462 C ASN A 89 8.164 9.550 -15.801 1.00 0.00 C ATOM 1463 O ASN A 89 8.121 8.699 -16.666 1.00 0.00 O ATOM 1464 CB ASN A 89 8.784 11.838 -16.588 1.00 0.00 C ATOM 1465 CG ASN A 89 8.292 13.276 -16.757 1.00 0.00 C ATOM 1466 OD1 ASN A 89 7.668 13.825 -15.870 1.00 0.00 O ATOM 1467 ND2 ASN A 89 8.543 13.914 -17.867 1.00 0.00 N ATOM 0 H ASN A 89 7.649 12.338 -14.426 1.00 0.00 H new ATOM 0 HA ASN A 89 6.842 10.908 -16.802 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.625 11.809 -15.895 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.143 11.451 -17.542 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.216 14.872 -17.990 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.067 13.455 -18.612 1.00 0.00 H new ATOM 1474 N LEU A 90 8.668 9.288 -14.629 1.00 0.00 N ATOM 1475 CA LEU A 90 9.201 7.926 -14.339 1.00 0.00 C ATOM 1476 C LEU A 90 8.138 6.871 -14.643 1.00 0.00 C ATOM 1477 O LEU A 90 8.448 5.748 -14.980 1.00 0.00 O ATOM 1478 CB LEU A 90 9.610 7.830 -12.869 1.00 0.00 C ATOM 1479 CG LEU A 90 11.104 8.135 -12.732 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.549 7.869 -11.295 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.901 7.239 -13.679 1.00 0.00 C ATOM 0 H LEU A 90 8.735 9.955 -13.860 1.00 0.00 H new ATOM 0 HA LEU A 90 10.072 7.748 -14.969 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.029 8.533 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.395 6.833 -12.485 1.00 0.00 H new ATOM 0 HG LEU A 90 11.282 9.180 -12.984 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.613 8.086 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.985 8.507 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.368 6.824 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.964 7.459 -13.579 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.721 6.194 -13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.587 7.425 -14.706 1.00 0.00 H new ATOM 1493 N TRP A 91 6.886 7.210 -14.515 1.00 0.00 N ATOM 1494 CA TRP A 91 5.817 6.221 -14.789 1.00 0.00 C ATOM 1495 C TRP A 91 5.775 5.903 -16.289 1.00 0.00 C ATOM 1496 O TRP A 91 5.521 4.783 -16.685 1.00 0.00 O ATOM 1497 CB TRP A 91 4.480 6.807 -14.326 1.00 0.00 C ATOM 1498 CG TRP A 91 4.472 6.898 -12.841 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.326 8.041 -12.150 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.607 5.833 -11.857 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.368 7.757 -10.797 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.539 6.405 -10.566 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.783 4.441 -11.959 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.641 5.625 -9.413 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.886 3.651 -10.802 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.814 4.243 -9.531 1.00 0.00 C ATOM 0 H TRP A 91 6.560 8.134 -14.231 1.00 0.00 H new ATOM 0 HA TRP A 91 6.014 5.295 -14.250 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.331 7.794 -14.763 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.657 6.180 -14.668 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.197 9.023 -12.581 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.283 8.458 -10.061 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.839 3.977 -12.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.587 6.086 -8.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 5.021 2.583 -10.891 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.892 3.631 -8.645 1.00 0.00 H new ATOM 1517 N GLY A 92 6.033 6.871 -17.135 1.00 0.00 N ATOM 1518 CA GLY A 92 6.015 6.601 -18.601 1.00 0.00 C ATOM 1519 C GLY A 92 7.228 5.748 -18.979 1.00 0.00 C ATOM 1520 O GLY A 92 7.113 4.741 -19.649 1.00 0.00 O ATOM 0 H GLY A 92 6.254 7.831 -16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.095 6.085 -18.875 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.031 7.540 -19.154 1.00 0.00 H new ATOM 1524 N LEU A 93 8.393 6.159 -18.557 1.00 0.00 N ATOM 1525 CA LEU A 93 9.632 5.399 -18.886 1.00 0.00 C ATOM 1526 C LEU A 93 9.535 3.968 -18.343 1.00 0.00 C ATOM 1527 O LEU A 93 9.933 3.022 -18.993 1.00 0.00 O ATOM 1528 CB LEU A 93 10.828 6.121 -18.259 1.00 0.00 C ATOM 1529 CG LEU A 93 12.088 5.268 -18.390 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.195 4.720 -19.814 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.310 6.136 -18.091 1.00 0.00 C ATOM 0 H LEU A 93 8.540 6.996 -17.993 1.00 0.00 H new ATOM 0 HA LEU A 93 9.757 5.346 -19.968 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.979 7.083 -18.749 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.627 6.327 -17.208 1.00 0.00 H new ATOM 0 HG LEU A 93 12.040 4.437 -17.687 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.095 4.112 -19.903 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.320 4.108 -20.035 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.246 5.549 -20.520 1.00 0.00 H new ATOM 0 HD21 LEU A 93 14.215 5.535 -18.182 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.351 6.963 -18.800 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.237 6.530 -17.077 1.00 0.00 H new ATOM 1543 N ALA A 94 9.011 3.800 -17.160 1.00 0.00 N ATOM 1544 CA ALA A 94 8.890 2.431 -16.584 1.00 0.00 C ATOM 1545 C ALA A 94 7.838 1.642 -17.366 1.00 0.00 C ATOM 1546 O ALA A 94 8.146 0.687 -18.052 1.00 0.00 O ATOM 1547 CB ALA A 94 8.467 2.530 -15.118 1.00 0.00 C ATOM 0 H ALA A 94 8.661 4.552 -16.567 1.00 0.00 H new ATOM 0 HA ALA A 94 9.851 1.922 -16.651 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.378 1.529 -14.696 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.215 3.093 -14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.505 3.039 -15.050 1.00 0.00 H new ATOM 1553 N GLY A 95 6.596 2.037 -17.274 1.00 0.00 N ATOM 1554 CA GLY A 95 5.528 1.309 -18.018 1.00 0.00 C ATOM 1555 C GLY A 95 4.568 0.638 -17.032 1.00 0.00 C ATOM 1556 O GLY A 95 3.428 0.367 -17.350 1.00 0.00 O ATOM 0 H GLY A 95 6.276 2.830 -16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.981 2.002 -18.656 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.975 0.559 -18.671 1.00 0.00 H new ATOM 1560 N LEU A 96 5.019 0.362 -15.836 1.00 0.00 N ATOM 1561 CA LEU A 96 4.131 -0.293 -14.841 1.00 0.00 C ATOM 1562 C LEU A 96 3.817 0.693 -13.714 1.00 0.00 C ATOM 1563 O LEU A 96 4.457 1.717 -13.574 1.00 0.00 O ATOM 1564 CB LEU A 96 4.846 -1.509 -14.259 1.00 0.00 C ATOM 1565 CG LEU A 96 3.821 -2.590 -13.908 1.00 0.00 C ATOM 1566 CD1 LEU A 96 3.305 -3.239 -15.193 1.00 0.00 C ATOM 1567 CD2 LEU A 96 4.484 -3.654 -13.030 1.00 0.00 C ATOM 0 H LEU A 96 5.964 0.563 -15.509 1.00 0.00 H new ATOM 0 HA LEU A 96 3.204 -0.603 -15.324 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.567 -1.898 -14.978 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.406 -1.222 -13.369 1.00 0.00 H new ATOM 0 HG LEU A 96 2.988 -2.140 -13.368 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.575 -4.009 -14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.834 -2.481 -15.819 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.138 -3.690 -15.733 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.755 -4.425 -12.779 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.317 -4.104 -13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.853 -3.192 -12.114 1.00 0.00 H new ATOM 1579 N ASN A 97 2.833 0.395 -12.910 1.00 0.00 N ATOM 1580 CA ASN A 97 2.473 1.314 -11.794 1.00 0.00 C ATOM 1581 C ASN A 97 1.975 0.499 -10.597 1.00 0.00 C ATOM 1582 O ASN A 97 1.034 0.877 -9.928 1.00 0.00 O ATOM 1583 CB ASN A 97 1.370 2.263 -12.260 1.00 0.00 C ATOM 1584 CG ASN A 97 1.231 3.415 -11.263 1.00 0.00 C ATOM 1585 OD1 ASN A 97 2.080 4.282 -11.195 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.186 3.462 -10.482 1.00 0.00 N ATOM 0 H ASN A 97 2.262 -0.447 -12.978 1.00 0.00 H new ATOM 0 HA ASN A 97 3.350 1.889 -11.497 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.605 2.652 -13.251 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.425 1.726 -12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.082 4.226 -9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.527 2.734 -10.539 1.00 0.00 H new ATOM 1593 N SER A 98 2.599 -0.613 -10.322 1.00 0.00 N ATOM 1594 CA SER A 98 2.161 -1.448 -9.167 1.00 0.00 C ATOM 1595 C SER A 98 3.387 -1.872 -8.355 1.00 0.00 C ATOM 1596 O SER A 98 3.744 -3.032 -8.311 1.00 0.00 O ATOM 1597 CB SER A 98 1.437 -2.694 -9.684 1.00 0.00 C ATOM 1598 OG SER A 98 2.181 -3.268 -10.748 1.00 0.00 O ATOM 0 H SER A 98 3.393 -0.980 -10.847 1.00 0.00 H new ATOM 0 HA SER A 98 1.485 -0.871 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.317 -3.418 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.437 -2.430 -10.027 1.00 0.00 H new ATOM 0 HG SER A 98 3.062 -3.544 -10.419 1.00 0.00 H new ATOM 1604 N CYS A 99 4.040 -0.939 -7.719 1.00 0.00 N ATOM 1605 CA CYS A 99 5.249 -1.286 -6.917 1.00 0.00 C ATOM 1606 C CYS A 99 5.344 -0.356 -5.702 1.00 0.00 C ATOM 1607 O CYS A 99 6.150 0.552 -5.685 1.00 0.00 O ATOM 1608 CB CYS A 99 6.496 -1.109 -7.783 1.00 0.00 C ATOM 1609 SG CYS A 99 6.144 -1.656 -9.472 1.00 0.00 S ATOM 0 H CYS A 99 3.789 0.050 -7.719 1.00 0.00 H new ATOM 0 HA CYS A 99 5.176 -2.320 -6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.804 -0.063 -7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.324 -1.684 -7.369 1.00 0.00 H new ATOM 1614 N PRO A 100 4.523 -0.616 -4.715 1.00 0.00 N ATOM 1615 CA PRO A 100 4.491 0.184 -3.450 1.00 0.00 C ATOM 1616 C PRO A 100 5.757 -0.069 -2.627 1.00 0.00 C ATOM 1617 O PRO A 100 6.624 -0.823 -3.022 1.00 0.00 O ATOM 1618 CB PRO A 100 3.251 -0.340 -2.737 1.00 0.00 C ATOM 1619 CG PRO A 100 2.987 -1.732 -3.290 1.00 0.00 C ATOM 1620 CD PRO A 100 3.527 -1.739 -4.720 1.00 0.00 C ATOM 0 HA PRO A 100 4.456 1.261 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.410 -0.375 -1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.397 0.315 -2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.482 -2.491 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 100 1.921 -1.959 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.995 -2.691 -4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 100 2.735 -1.572 -5.450 1.00 0.00 H new ATOM 1628 N VAL A 101 5.874 0.561 -1.490 1.00 0.00 N ATOM 1629 CA VAL A 101 7.086 0.358 -0.652 1.00 0.00 C ATOM 1630 C VAL A 101 6.800 -0.693 0.421 1.00 0.00 C ATOM 1631 O VAL A 101 6.051 -0.460 1.348 1.00 0.00 O ATOM 1632 CB VAL A 101 7.466 1.681 0.017 1.00 0.00 C ATOM 1633 CG1 VAL A 101 7.657 2.757 -1.053 1.00 0.00 C ATOM 1634 CG2 VAL A 101 6.352 2.107 0.976 1.00 0.00 C ATOM 0 H VAL A 101 5.183 1.206 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 101 7.908 0.016 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 101 8.395 1.553 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.928 3.699 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 101 8.451 2.454 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.729 2.885 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.623 3.049 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.423 2.235 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.216 1.341 1.739 1.00 0.00 H new ATOM 1644 N LYS A 102 7.399 -1.843 0.305 1.00 0.00 N ATOM 1645 CA LYS A 102 7.173 -2.908 1.319 1.00 0.00 C ATOM 1646 C LYS A 102 8.520 -3.489 1.723 1.00 0.00 C ATOM 1647 O LYS A 102 8.794 -4.659 1.547 1.00 0.00 O ATOM 1648 CB LYS A 102 6.280 -4.006 0.737 1.00 0.00 C ATOM 1649 CG LYS A 102 5.990 -5.052 1.816 1.00 0.00 C ATOM 1650 CD LYS A 102 5.352 -4.371 3.029 1.00 0.00 C ATOM 1651 CE LYS A 102 4.415 -5.354 3.732 1.00 0.00 C ATOM 1652 NZ LYS A 102 3.010 -4.867 3.623 1.00 0.00 N ATOM 0 H LYS A 102 8.037 -2.092 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 102 6.675 -2.487 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.347 -3.576 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.770 -4.474 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.323 -5.819 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.913 -5.552 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.126 -4.033 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.798 -3.487 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.504 -6.343 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.696 -5.454 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.373 -5.536 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.931 -3.932 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.745 -4.793 2.620 1.00 0.00 H new ATOM 1666 N GLU A 103 9.359 -2.662 2.262 1.00 0.00 N ATOM 1667 CA GLU A 103 10.708 -3.124 2.691 1.00 0.00 C ATOM 1668 C GLU A 103 11.146 -2.336 3.928 1.00 0.00 C ATOM 1669 O GLU A 103 11.375 -1.144 3.867 1.00 0.00 O ATOM 1670 CB GLU A 103 11.711 -2.895 1.557 1.00 0.00 C ATOM 1671 CG GLU A 103 11.356 -3.793 0.369 1.00 0.00 C ATOM 1672 CD GLU A 103 11.810 -5.225 0.657 1.00 0.00 C ATOM 1673 OE1 GLU A 103 12.741 -5.388 1.427 1.00 0.00 O ATOM 1674 OE2 GLU A 103 11.217 -6.136 0.102 1.00 0.00 O ATOM 0 H GLU A 103 9.170 -1.673 2.428 1.00 0.00 H new ATOM 0 HA GLU A 103 10.670 -4.186 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.698 -1.849 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.722 -3.114 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.281 -3.770 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.837 -3.423 -0.536 1.00 0.00 H new ATOM 1681 N ALA A 104 11.261 -2.991 5.050 1.00 0.00 N ATOM 1682 CA ALA A 104 11.680 -2.280 6.290 1.00 0.00 C ATOM 1683 C ALA A 104 13.082 -1.696 6.098 1.00 0.00 C ATOM 1684 O ALA A 104 13.410 -0.656 6.634 1.00 0.00 O ATOM 1685 CB ALA A 104 11.695 -3.264 7.462 1.00 0.00 C ATOM 0 H ALA A 104 11.083 -3.989 5.162 1.00 0.00 H new ATOM 0 HA ALA A 104 10.977 -1.474 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.002 -2.744 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.697 -3.679 7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.397 -4.070 7.251 1.00 0.00 H new ATOM 1691 N ASN A 105 13.912 -2.354 5.336 1.00 0.00 N ATOM 1692 CA ASN A 105 15.289 -1.832 5.112 1.00 0.00 C ATOM 1693 C ASN A 105 15.219 -0.342 4.771 1.00 0.00 C ATOM 1694 O ASN A 105 14.155 0.206 4.565 1.00 0.00 O ATOM 1695 CB ASN A 105 15.943 -2.591 3.956 1.00 0.00 C ATOM 1696 CG ASN A 105 16.197 -4.041 4.375 1.00 0.00 C ATOM 1697 OD1 ASN A 105 15.709 -4.961 3.752 1.00 0.00 O ATOM 1698 ND2 ASN A 105 16.947 -4.283 5.418 1.00 0.00 N ATOM 0 H ASN A 105 13.696 -3.230 4.859 1.00 0.00 H new ATOM 0 HA ASN A 105 15.882 -1.971 6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.298 -2.563 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.882 -2.112 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.122 -5.245 5.708 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.357 -3.510 5.942 1.00 0.00 H new ATOM 1705 N GLN A 106 16.343 0.320 4.712 1.00 0.00 N ATOM 1706 CA GLN A 106 16.333 1.774 4.389 1.00 0.00 C ATOM 1707 C GLN A 106 17.595 2.140 3.604 1.00 0.00 C ATOM 1708 O GLN A 106 18.576 1.422 3.615 1.00 0.00 O ATOM 1709 CB GLN A 106 16.290 2.584 5.684 1.00 0.00 C ATOM 1710 CG GLN A 106 15.272 1.963 6.642 1.00 0.00 C ATOM 1711 CD GLN A 106 15.116 2.857 7.875 1.00 0.00 C ATOM 1712 OE1 GLN A 106 15.017 2.369 8.984 1.00 0.00 O ATOM 1713 NE2 GLN A 106 15.093 4.153 7.729 1.00 0.00 N ATOM 0 H GLN A 106 17.266 -0.083 4.873 1.00 0.00 H new ATOM 0 HA GLN A 106 15.454 2.001 3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.277 2.602 6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.020 3.618 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 106 14.311 1.846 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 106 15.599 0.967 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 106 15.176 4.563 6.799 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.992 4.756 8.545 1.00 0.00 H new ATOM 1722 N SER A 107 17.576 3.254 2.923 1.00 0.00 N ATOM 1723 CA SER A 107 18.773 3.674 2.139 1.00 0.00 C ATOM 1724 C SER A 107 18.959 5.189 2.276 1.00 0.00 C ATOM 1725 O SER A 107 18.261 5.837 3.026 1.00 0.00 O ATOM 1726 CB SER A 107 18.567 3.313 0.667 1.00 0.00 C ATOM 1727 OG SER A 107 19.797 2.871 0.111 1.00 0.00 O ATOM 0 H SER A 107 16.782 3.892 2.876 1.00 0.00 H new ATOM 0 HA SER A 107 19.659 3.163 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.813 2.532 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.198 4.179 0.117 1.00 0.00 H new ATOM 0 HG SER A 107 19.843 1.893 0.155 1.00 0.00 H new ATOM 1733 N THR A 108 19.893 5.756 1.560 1.00 0.00 N ATOM 1734 CA THR A 108 20.120 7.229 1.653 1.00 0.00 C ATOM 1735 C THR A 108 19.774 7.878 0.307 1.00 0.00 C ATOM 1736 O THR A 108 19.893 7.263 -0.732 1.00 0.00 O ATOM 1737 CB THR A 108 21.591 7.492 1.980 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.408 6.617 1.216 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.834 7.249 3.471 1.00 0.00 C ATOM 0 H THR A 108 20.509 5.263 0.914 1.00 0.00 H new ATOM 0 HA THR A 108 19.490 7.651 2.436 1.00 0.00 H new ATOM 0 HB THR A 108 21.839 8.525 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.351 6.786 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.882 7.436 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.206 7.921 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.587 6.216 3.716 1.00 0.00 H new ATOM 1747 N LEU A 109 19.349 9.114 0.318 1.00 0.00 N ATOM 1748 CA LEU A 109 18.997 9.806 -0.963 1.00 0.00 C ATOM 1749 C LEU A 109 20.208 9.807 -1.897 1.00 0.00 C ATOM 1750 O LEU A 109 20.093 9.503 -3.064 1.00 0.00 O ATOM 1751 CB LEU A 109 18.572 11.249 -0.666 1.00 0.00 C ATOM 1752 CG LEU A 109 17.798 11.821 -1.858 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.685 11.821 -3.098 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.558 10.973 -2.129 1.00 0.00 C ATOM 0 H LEU A 109 19.229 9.678 1.160 1.00 0.00 H new ATOM 0 HA LEU A 109 18.173 9.279 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.951 11.277 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.451 11.862 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 109 17.496 12.842 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.130 12.229 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.567 12.434 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.993 10.800 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 109 16.013 11.386 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.859 9.950 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.915 10.977 -1.249 1.00 0.00 H new ATOM 1766 N GLU A 110 21.367 10.138 -1.401 1.00 0.00 N ATOM 1767 CA GLU A 110 22.565 10.134 -2.285 1.00 0.00 C ATOM 1768 C GLU A 110 22.620 8.787 -3.004 1.00 0.00 C ATOM 1769 O GLU A 110 22.852 8.707 -4.195 1.00 0.00 O ATOM 1770 CB GLU A 110 23.831 10.320 -1.441 1.00 0.00 C ATOM 1771 CG GLU A 110 25.061 9.920 -2.259 1.00 0.00 C ATOM 1772 CD GLU A 110 26.326 10.175 -1.437 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.199 10.675 -0.332 1.00 0.00 O ATOM 1774 OE2 GLU A 110 27.400 9.866 -1.927 1.00 0.00 O ATOM 0 H GLU A 110 21.536 10.408 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 110 22.504 10.947 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.917 11.359 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.770 9.713 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 110 25.000 8.867 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.096 10.492 -3.186 1.00 0.00 H new ATOM 1781 N ASN A 111 22.398 7.727 -2.279 1.00 0.00 N ATOM 1782 CA ASN A 111 22.422 6.372 -2.893 1.00 0.00 C ATOM 1783 C ASN A 111 21.207 6.195 -3.800 1.00 0.00 C ATOM 1784 O ASN A 111 21.245 5.450 -4.735 1.00 0.00 O ATOM 1785 CB ASN A 111 22.409 5.301 -1.797 1.00 0.00 C ATOM 1786 CG ASN A 111 22.979 3.995 -2.354 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.949 3.766 -3.546 1.00 0.00 O ATOM 1788 ND2 ASN A 111 23.502 3.123 -1.535 1.00 0.00 N ATOM 0 H ASN A 111 22.199 7.742 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 111 23.331 6.266 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.999 5.633 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.391 5.143 -1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.885 2.250 -1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 111 23.527 3.315 -0.534 1.00 0.00 H new ATOM 1795 N PHE A 112 20.121 6.854 -3.536 1.00 0.00 N ATOM 1796 CA PHE A 112 18.937 6.683 -4.428 1.00 0.00 C ATOM 1797 C PHE A 112 19.280 7.261 -5.796 1.00 0.00 C ATOM 1798 O PHE A 112 18.932 6.713 -6.812 1.00 0.00 O ATOM 1799 CB PHE A 112 17.742 7.440 -3.837 1.00 0.00 C ATOM 1800 CG PHE A 112 16.502 7.168 -4.661 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.887 5.909 -4.613 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.968 8.176 -5.475 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.741 5.662 -5.379 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.823 7.926 -6.239 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.209 6.670 -6.192 1.00 0.00 C ATOM 0 H PHE A 112 19.996 7.497 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 112 18.682 5.627 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.579 7.130 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.950 8.510 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.297 5.131 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.441 9.146 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.267 4.692 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.413 8.704 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.325 6.478 -6.782 1.00 0.00 H new ATOM 1815 N LEU A 113 19.962 8.363 -5.833 1.00 0.00 N ATOM 1816 CA LEU A 113 20.338 8.948 -7.145 1.00 0.00 C ATOM 1817 C LEU A 113 21.428 8.074 -7.785 1.00 0.00 C ATOM 1818 O LEU A 113 21.461 7.891 -8.984 1.00 0.00 O ATOM 1819 CB LEU A 113 20.853 10.372 -6.935 1.00 0.00 C ATOM 1820 CG LEU A 113 19.825 11.177 -6.128 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.535 12.308 -5.384 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.784 11.772 -7.081 1.00 0.00 C ATOM 0 H LEU A 113 20.276 8.885 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 113 19.472 8.982 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.807 10.351 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.031 10.851 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 113 19.332 10.522 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.806 12.880 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.279 11.888 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 113 21.027 12.964 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.053 12.344 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.279 12.428 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.278 10.968 -7.615 1.00 0.00 H new ATOM 1834 N GLU A 114 22.322 7.535 -6.989 1.00 0.00 N ATOM 1835 CA GLU A 114 23.409 6.671 -7.545 1.00 0.00 C ATOM 1836 C GLU A 114 22.813 5.344 -8.025 1.00 0.00 C ATOM 1837 O GLU A 114 23.032 4.901 -9.136 1.00 0.00 O ATOM 1838 CB GLU A 114 24.412 6.388 -6.429 1.00 0.00 C ATOM 1839 CG GLU A 114 25.839 6.550 -6.945 1.00 0.00 C ATOM 1840 CD GLU A 114 25.978 5.873 -8.312 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.504 4.759 -8.450 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.557 6.483 -9.196 1.00 0.00 O ATOM 0 H GLU A 114 22.344 7.657 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 114 23.895 7.173 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.240 7.069 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.268 5.376 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.088 7.608 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.543 6.110 -6.238 1.00 0.00 H new ATOM 1849 N ARG A 115 22.060 4.725 -7.170 1.00 0.00 N ATOM 1850 CA ARG A 115 21.405 3.426 -7.482 1.00 0.00 C ATOM 1851 C ARG A 115 20.421 3.626 -8.628 1.00 0.00 C ATOM 1852 O ARG A 115 20.433 2.920 -9.614 1.00 0.00 O ATOM 1853 CB ARG A 115 20.638 2.972 -6.233 1.00 0.00 C ATOM 1854 CG ARG A 115 20.791 1.461 -6.054 1.00 0.00 C ATOM 1855 CD ARG A 115 22.270 1.117 -5.862 1.00 0.00 C ATOM 1856 NE ARG A 115 22.602 -0.106 -6.648 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.760 -0.689 -6.490 1.00 0.00 C ATOM 1858 NH1 ARG A 115 23.957 -1.481 -5.471 1.00 0.00 N ATOM 1859 NH2 ARG A 115 24.719 -0.478 -7.348 1.00 0.00 N ATOM 0 H ARG A 115 21.863 5.076 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 115 22.147 2.681 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 115 21.017 3.492 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.584 3.232 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.214 1.126 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.395 0.939 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.893 1.951 -6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.482 0.952 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 115 21.925 -0.487 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 115 23.207 -1.644 -4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 115 24.861 -1.937 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 115 24.565 0.142 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 115 25.623 -0.933 -7.224 1.00 0.00 H new ATOM 1873 N LEU A 116 19.577 4.598 -8.494 1.00 0.00 N ATOM 1874 CA LEU A 116 18.579 4.890 -9.556 1.00 0.00 C ATOM 1875 C LEU A 116 19.320 5.173 -10.880 1.00 0.00 C ATOM 1876 O LEU A 116 18.865 4.786 -11.937 1.00 0.00 O ATOM 1877 CB LEU A 116 17.769 6.124 -9.140 1.00 0.00 C ATOM 1878 CG LEU A 116 16.529 6.243 -10.023 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.623 7.353 -9.486 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.951 6.574 -11.453 1.00 0.00 C ATOM 0 H LEU A 116 19.532 5.215 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 116 17.910 4.041 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.476 6.044 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.381 7.021 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 116 15.986 5.298 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.738 7.437 -10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.320 7.114 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.164 8.299 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.066 6.659 -12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.495 7.518 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.594 5.781 -11.835 1.00 0.00 H new ATOM 1892 N LYS A 117 20.457 5.853 -10.843 1.00 0.00 N ATOM 1893 CA LYS A 117 21.185 6.146 -12.113 1.00 0.00 C ATOM 1894 C LYS A 117 21.797 4.868 -12.698 1.00 0.00 C ATOM 1895 O LYS A 117 21.867 4.703 -13.898 1.00 0.00 O ATOM 1896 CB LYS A 117 22.296 7.160 -11.836 1.00 0.00 C ATOM 1897 CG LYS A 117 22.963 7.558 -13.154 1.00 0.00 C ATOM 1898 CD LYS A 117 22.842 9.071 -13.351 1.00 0.00 C ATOM 1899 CE LYS A 117 23.285 9.439 -14.768 1.00 0.00 C ATOM 1900 NZ LYS A 117 24.575 10.180 -14.710 1.00 0.00 N ATOM 0 H LYS A 117 20.898 6.209 -9.995 1.00 0.00 H new ATOM 0 HA LYS A 117 20.477 6.553 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.884 8.041 -11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.034 6.731 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 117 24.013 7.264 -13.146 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.492 7.033 -13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.812 9.388 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.457 9.594 -12.619 1.00 0.00 H new ATOM 0 HE2 LYS A 117 23.398 8.538 -15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 117 22.523 10.051 -15.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 24.875 10.430 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 24.452 11.048 -14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.300 9.581 -14.266 1.00 0.00 H new ATOM 1914 N THR A 118 22.256 3.972 -11.870 1.00 0.00 N ATOM 1915 CA THR A 118 22.877 2.723 -12.397 1.00 0.00 C ATOM 1916 C THR A 118 21.880 1.965 -13.281 1.00 0.00 C ATOM 1917 O THR A 118 22.261 1.260 -14.194 1.00 0.00 O ATOM 1918 CB THR A 118 23.321 1.833 -11.228 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.256 0.873 -11.697 1.00 0.00 O ATOM 1920 CG2 THR A 118 22.111 1.116 -10.626 1.00 0.00 C ATOM 0 H THR A 118 22.229 4.049 -10.853 1.00 0.00 H new ATOM 0 HA THR A 118 23.746 2.988 -12.999 1.00 0.00 H new ATOM 0 HB THR A 118 23.784 2.454 -10.461 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.782 0.159 -12.172 1.00 0.00 H new ATOM 0 HG21 THR A 118 22.436 0.487 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 118 21.395 1.853 -10.263 1.00 0.00 H new ATOM 0 HG23 THR A 118 21.639 0.496 -11.388 1.00 0.00 H new ATOM 1928 N ILE A 119 20.608 2.094 -13.017 1.00 0.00 N ATOM 1929 CA ILE A 119 19.598 1.371 -13.839 1.00 0.00 C ATOM 1930 C ILE A 119 19.530 1.979 -15.237 1.00 0.00 C ATOM 1931 O ILE A 119 19.587 1.289 -16.234 1.00 0.00 O ATOM 1932 CB ILE A 119 18.230 1.495 -13.183 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.285 1.103 -11.697 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.232 0.594 -13.909 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.299 -0.020 -11.476 1.00 0.00 C ATOM 0 H ILE A 119 20.225 2.669 -12.267 1.00 0.00 H new ATOM 0 HA ILE A 119 19.886 0.322 -13.911 1.00 0.00 H new ATOM 0 HB ILE A 119 17.914 2.536 -13.251 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.558 1.970 -11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 119 17.299 0.781 -11.363 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.253 0.683 -13.439 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.162 0.896 -14.954 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.569 -0.441 -13.853 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.324 -0.284 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.009 -0.893 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 119 20.287 0.315 -11.790 1.00 0.00 H new ATOM 1947 N MET A 120 19.391 3.269 -15.310 1.00 0.00 N ATOM 1948 CA MET A 120 19.296 3.944 -16.636 1.00 0.00 C ATOM 1949 C MET A 120 20.584 3.758 -17.427 1.00 0.00 C ATOM 1950 O MET A 120 20.558 3.600 -18.621 1.00 0.00 O ATOM 1951 CB MET A 120 19.041 5.433 -16.425 1.00 0.00 C ATOM 1952 CG MET A 120 17.595 5.634 -15.982 1.00 0.00 C ATOM 1953 SD MET A 120 17.550 6.420 -14.358 1.00 0.00 S ATOM 1954 CE MET A 120 15.750 6.416 -14.170 1.00 0.00 C ATOM 0 H MET A 120 19.338 3.892 -14.504 1.00 0.00 H new ATOM 0 HA MET A 120 18.475 3.500 -17.198 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.723 5.828 -15.672 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.231 5.982 -17.347 1.00 0.00 H new ATOM 0 HG2 MET A 120 17.066 6.251 -16.708 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.081 4.674 -15.945 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.401 7.433 -13.990 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.290 6.030 -15.080 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.474 5.783 -13.327 1.00 0.00 H new ATOM 1964 N ARG A 121 21.709 3.775 -16.789 1.00 0.00 N ATOM 1965 CA ARG A 121 22.974 3.581 -17.547 1.00 0.00 C ATOM 1966 C ARG A 121 22.944 2.186 -18.165 1.00 0.00 C ATOM 1967 O ARG A 121 23.455 1.949 -19.241 1.00 0.00 O ATOM 1968 CB ARG A 121 24.156 3.675 -16.591 1.00 0.00 C ATOM 1969 CG ARG A 121 25.076 4.822 -17.017 1.00 0.00 C ATOM 1970 CD ARG A 121 24.371 6.157 -16.778 1.00 0.00 C ATOM 1971 NE ARG A 121 25.161 7.256 -17.404 1.00 0.00 N ATOM 1972 CZ ARG A 121 25.301 7.303 -18.701 1.00 0.00 C ATOM 1973 NH1 ARG A 121 24.259 7.168 -19.475 1.00 0.00 N ATOM 1974 NH2 ARG A 121 26.482 7.488 -19.223 1.00 0.00 N ATOM 0 H ARG A 121 21.814 3.913 -15.784 1.00 0.00 H new ATOM 0 HA ARG A 121 23.073 4.343 -18.320 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.801 3.840 -15.574 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.708 2.735 -16.587 1.00 0.00 H new ATOM 0 HG2 ARG A 121 26.007 4.784 -16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.338 4.720 -18.070 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.367 6.131 -17.200 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.262 6.337 -15.708 1.00 0.00 H new ATOM 0 HE ARG A 121 25.592 7.971 -16.818 1.00 0.00 H new ATOM 0 HH11 ARG A 121 23.335 7.026 -19.066 1.00 0.00 H new ATOM 0 HH12 ARG A 121 24.368 7.205 -20.488 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.296 7.596 -18.618 1.00 0.00 H new ATOM 0 HH22 ARG A 121 26.592 7.525 -20.236 1.00 0.00 H new ATOM 1988 N GLU A 122 22.351 1.266 -17.467 1.00 0.00 N ATOM 1989 CA GLU A 122 22.266 -0.138 -17.962 1.00 0.00 C ATOM 1990 C GLU A 122 21.329 -0.230 -19.174 1.00 0.00 C ATOM 1991 O GLU A 122 21.676 -0.800 -20.189 1.00 0.00 O ATOM 1992 CB GLU A 122 21.697 -1.026 -16.847 1.00 0.00 C ATOM 1993 CG GLU A 122 22.681 -1.154 -15.670 1.00 0.00 C ATOM 1994 CD GLU A 122 21.906 -1.531 -14.407 1.00 0.00 C ATOM 1995 OE1 GLU A 122 20.750 -1.902 -14.533 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.480 -1.442 -13.334 1.00 0.00 O ATOM 0 H GLU A 122 21.913 1.426 -16.560 1.00 0.00 H new ATOM 0 HA GLU A 122 23.264 -0.465 -18.252 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.756 -0.607 -16.492 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.475 -2.016 -17.246 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.433 -1.912 -15.890 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.211 -0.213 -15.519 1.00 0.00 H new ATOM 2003 N LYS A 123 20.143 0.302 -19.075 1.00 0.00 N ATOM 2004 CA LYS A 123 19.194 0.209 -20.227 1.00 0.00 C ATOM 2005 C LYS A 123 19.699 1.063 -21.394 1.00 0.00 C ATOM 2006 O LYS A 123 19.607 0.685 -22.545 1.00 0.00 O ATOM 2007 CB LYS A 123 17.816 0.707 -19.791 1.00 0.00 C ATOM 2008 CG LYS A 123 16.760 0.223 -20.787 1.00 0.00 C ATOM 2009 CD LYS A 123 16.494 -1.267 -20.564 1.00 0.00 C ATOM 2010 CE LYS A 123 15.149 -1.645 -21.185 1.00 0.00 C ATOM 2011 NZ LYS A 123 15.378 -2.498 -22.386 1.00 0.00 N ATOM 0 H LYS A 123 19.789 0.794 -18.255 1.00 0.00 H new ATOM 0 HA LYS A 123 19.125 -0.830 -20.550 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.584 0.339 -18.791 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.811 1.796 -19.739 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.838 0.791 -20.661 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.102 0.394 -21.808 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.292 -1.860 -21.011 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.489 -1.491 -19.497 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.538 -2.179 -20.458 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.600 -0.746 -21.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.463 -2.755 -22.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.945 -1.973 -23.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.885 -3.362 -22.107 1.00 0.00 H new ATOM 2025 N TYR A 124 20.226 2.210 -21.094 1.00 0.00 N ATOM 2026 CA TYR A 124 20.741 3.114 -22.160 1.00 0.00 C ATOM 2027 C TYR A 124 22.010 2.518 -22.773 1.00 0.00 C ATOM 2028 O TYR A 124 22.313 2.732 -23.930 1.00 0.00 O ATOM 2029 CB TYR A 124 21.057 4.485 -21.552 1.00 0.00 C ATOM 2030 CG TYR A 124 21.281 5.491 -22.656 1.00 0.00 C ATOM 2031 CD1 TYR A 124 20.328 5.638 -23.671 1.00 0.00 C ATOM 2032 CD2 TYR A 124 22.440 6.276 -22.664 1.00 0.00 C ATOM 2033 CE1 TYR A 124 20.534 6.571 -24.695 1.00 0.00 C ATOM 2034 CE2 TYR A 124 22.645 7.210 -23.688 1.00 0.00 C ATOM 2035 CZ TYR A 124 21.693 7.356 -24.702 1.00 0.00 C ATOM 2036 OH TYR A 124 21.896 8.276 -25.711 1.00 0.00 O ATOM 0 H TYR A 124 20.325 2.568 -20.144 1.00 0.00 H new ATOM 0 HA TYR A 124 19.986 3.225 -22.939 1.00 0.00 H new ATOM 0 HB2 TYR A 124 20.235 4.809 -20.913 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.944 4.419 -20.922 1.00 0.00 H new ATOM 0 HD1 TYR A 124 19.434 5.032 -23.664 1.00 0.00 H new ATOM 0 HD2 TYR A 124 23.176 6.162 -21.881 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.799 6.685 -25.478 1.00 0.00 H new ATOM 0 HE2 TYR A 124 23.538 7.817 -23.694 1.00 0.00 H new ATOM 0 HH TYR A 124 22.748 8.738 -25.566 1.00 0.00 H new ATOM 2046 N SER A 125 22.759 1.774 -22.004 1.00 0.00 N ATOM 2047 CA SER A 125 24.012 1.171 -22.542 1.00 0.00 C ATOM 2048 C SER A 125 23.741 -0.257 -23.030 1.00 0.00 C ATOM 2049 O SER A 125 24.648 -1.051 -23.174 1.00 0.00 O ATOM 2050 CB SER A 125 25.072 1.136 -21.439 1.00 0.00 C ATOM 2051 OG SER A 125 26.255 0.533 -21.938 1.00 0.00 O ATOM 0 H SER A 125 22.557 1.558 -21.028 1.00 0.00 H new ATOM 0 HA SER A 125 24.367 1.773 -23.378 1.00 0.00 H new ATOM 0 HB2 SER A 125 25.285 2.147 -21.093 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.700 0.577 -20.580 1.00 0.00 H new ATOM 0 HG SER A 125 26.032 -0.320 -22.366 1.00 0.00 H new ATOM 2057 N LYS A 126 22.504 -0.594 -23.291 1.00 0.00 N ATOM 2058 CA LYS A 126 22.199 -1.972 -23.770 1.00 0.00 C ATOM 2059 C LYS A 126 21.223 -1.901 -24.946 1.00 0.00 C ATOM 2060 O LYS A 126 20.142 -2.457 -24.901 1.00 0.00 O ATOM 2061 CB LYS A 126 21.575 -2.787 -22.635 1.00 0.00 C ATOM 2062 CG LYS A 126 21.676 -4.279 -22.964 1.00 0.00 C ATOM 2063 CD LYS A 126 21.501 -5.100 -21.685 1.00 0.00 C ATOM 2064 CE LYS A 126 22.826 -5.778 -21.327 1.00 0.00 C ATOM 2065 NZ LYS A 126 22.569 -7.182 -20.897 1.00 0.00 N ATOM 0 H LYS A 126 21.697 0.023 -23.193 1.00 0.00 H new ATOM 0 HA LYS A 126 23.122 -2.453 -24.093 1.00 0.00 H new ATOM 0 HB2 LYS A 126 22.087 -2.575 -21.696 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.531 -2.503 -22.500 1.00 0.00 H new ATOM 0 HG2 LYS A 126 20.912 -4.554 -23.692 1.00 0.00 H new ATOM 0 HG3 LYS A 126 22.642 -4.497 -23.419 1.00 0.00 H new ATOM 0 HD2 LYS A 126 21.178 -4.455 -20.868 1.00 0.00 H new ATOM 0 HD3 LYS A 126 20.723 -5.850 -21.826 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.496 -5.767 -22.187 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.324 -5.228 -20.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 23.470 -7.641 -20.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 21.945 -7.182 -20.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 22.112 -7.704 -21.672 1.00 0.00 H new