USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 116 ASN :FLIP amide:sc= -7.78! C(o=-10!,f=-9.4!) USER MOD Set 1.2: A 119 HIS : no HD1:sc= -1.65 K(o=-9.4,f=-17!) USER MOD Set 2.1: A 82 MET CE :methyl 174:sc= -9.12! (180deg=-7.5!) USER MOD Set 2.2: A 85 GLN : amide:sc= -3.13 K(o=-12,f=-22!) USER MOD Set 3.1: A 71 CYS SG : rot -167:sc= 0.764 USER MOD Set 3.2: A 101 THR OG1 : rot -124:sc= 0.649 USER MOD Set 3.3: A 102 CYS SG : rot 180:sc= -1.73! USER MOD Set 4.1: A 62 SER OG : rot 180:sc= -0.387! USER MOD Set 4.2: A 63 CYS SG : rot -109:sc= 0.491! USER MOD Set 4.3: A 68 CYS SG : rot 135:sc= 1.17 USER MOD Set 4.4: A 70 ASN : amide:sc= 0.337 K(o=1.6,f=0.91) USER MOD Set 5.1: A 5 TYR OH : rot -107:sc= -1.16 USER MOD Set 5.2: A 57 TYR OH : rot -68:sc= 0.143 USER MOD Set 6.1: A 7 ASN : amide:sc= -1.39 K(o=-3.1,f=-11!) USER MOD Set 6.2: A 10 THR OG1 : rot -160:sc= -1.67! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 55:sc= -1.61 USER MOD Single : A 14 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.91) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 78:sc= 0.812 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 138:sc= -7.41! (180deg=-11.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.37) USER MOD Single : A 73 SER OG : rot -110:sc= -4.9! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 155:sc= -0.0241 (180deg=-0.557) USER MOD Single : A 86 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.041) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -69:sc= 0.313 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -15:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.943 -14.944 12.817 1.00 3.92 N ATOM 2 CA PRO A 1 -18.502 -15.233 12.585 1.00 3.44 C ATOM 3 C PRO A 1 -17.661 -13.979 12.832 1.00 3.50 C ATOM 4 O PRO A 1 -16.909 -13.544 11.980 1.00 4.94 O ATOM 5 CB PRO A 1 -18.441 -15.645 11.117 1.00 2.00 C ATOM 6 CG PRO A 1 -19.631 -14.996 10.492 1.00 4.99 C ATOM 7 CD PRO A 1 -20.693 -14.914 11.557 1.00 3.38 C ATOM 0 H2 PRO A 1 -20.039 -14.047 13.294 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.339 -15.654 13.434 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.111 -16.002 13.251 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.515 -15.309 10.649 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.478 -16.729 11.008 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -19.379 -14.003 10.121 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -19.983 -15.575 9.639 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.280 -14.000 11.465 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.390 -15.749 11.489 1.00 3.38 H new ATOM 17 N THR A 2 -17.780 -13.395 13.992 1.00 3.08 N ATOM 18 CA THR A 2 -16.986 -12.170 14.296 1.00 2.08 C ATOM 19 C THR A 2 -15.899 -12.488 15.325 1.00 2.52 C ATOM 20 O THR A 2 -16.180 -12.926 16.423 1.00 2.28 O ATOM 21 CB THR A 2 -17.995 -11.174 14.872 1.00 3.47 C ATOM 22 OG1 THR A 2 -19.260 -11.377 14.259 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.517 -9.746 14.603 1.00 3.09 C ATOM 0 H THR A 2 -18.393 -13.713 14.743 1.00 3.08 H new ATOM 0 HA THR A 2 -16.483 -11.775 13.413 1.00 2.08 H new ATOM 0 HB THR A 2 -18.084 -11.327 15.948 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.908 -10.741 14.628 1.00 3.73 H new ATOM 0 HG21 THR A 2 -18.237 -9.038 15.014 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.547 -9.592 15.075 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.427 -9.589 13.528 1.00 3.09 H new ATOM 31 N VAL A 3 -14.661 -12.275 14.978 1.00 10.00 N ATOM 32 CA VAL A 3 -13.558 -12.567 15.938 1.00 10.00 C ATOM 33 C VAL A 3 -12.715 -11.311 16.172 1.00 10.00 C ATOM 34 O VAL A 3 -12.238 -10.689 15.244 1.00 10.00 O ATOM 35 CB VAL A 3 -12.724 -13.657 15.264 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.670 -14.172 16.246 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.636 -14.812 14.845 1.00 10.00 C ATOM 0 H VAL A 3 -14.364 -11.912 14.072 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.931 -12.884 16.912 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.231 -13.245 14.383 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -11.075 -14.949 15.766 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -11.020 -13.350 16.546 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -12.163 -14.584 17.126 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -13.042 -15.589 14.364 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -14.129 -15.224 15.725 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.388 -14.446 14.146 1.00 10.00 H new ATOM 47 N GLU A 4 -12.527 -10.933 17.406 1.00 10.00 N ATOM 48 CA GLU A 4 -11.715 -9.718 17.697 1.00 10.00 C ATOM 49 C GLU A 4 -10.226 -10.072 17.729 1.00 10.00 C ATOM 50 O GLU A 4 -9.806 -10.958 18.446 1.00 10.00 O ATOM 51 CB GLU A 4 -12.184 -9.253 19.075 1.00 50.00 C ATOM 52 CG GLU A 4 -11.920 -7.753 19.225 1.00 50.00 C ATOM 53 CD GLU A 4 -13.023 -6.969 18.509 1.00 50.00 C ATOM 54 OE1 GLU A 4 -14.104 -7.512 18.356 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.766 -5.840 18.127 1.00 50.00 O ATOM 0 H GLU A 4 -12.900 -11.413 18.225 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.841 -8.945 16.939 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -13.247 -9.460 19.198 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.659 -9.805 19.855 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -11.892 -7.481 20.280 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -10.947 -7.500 18.804 1.00 50.00 H new ATOM 62 N TYR A 5 -9.425 -9.388 16.958 1.00 10.00 N ATOM 63 CA TYR A 5 -7.963 -9.693 16.953 1.00 10.00 C ATOM 64 C TYR A 5 -7.203 -8.662 17.795 1.00 10.00 C ATOM 65 O TYR A 5 -7.632 -7.534 17.948 1.00 10.00 O ATOM 66 CB TYR A 5 -7.537 -9.623 15.484 1.00 10.00 C ATOM 67 CG TYR A 5 -7.713 -8.217 14.960 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.931 -7.831 14.385 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.658 -7.302 15.041 1.00 10.00 C ATOM 70 CE1 TYR A 5 -9.092 -6.531 13.895 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.819 -6.002 14.549 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.036 -5.616 13.976 1.00 50.00 C ATOM 73 OH TYR A 5 -8.195 -4.333 13.492 1.00 50.00 O ATOM 0 H TYR A 5 -9.716 -8.635 16.334 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.746 -10.670 17.384 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.496 -9.929 15.384 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -8.132 -10.318 14.891 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -9.745 -8.537 14.320 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.719 -7.599 15.484 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -10.032 -6.233 13.454 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.004 -5.296 14.611 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.696 -4.235 12.654 1.00 50.00 H new ATOM 83 N LEU A 6 -6.083 -9.047 18.347 1.00 10.00 N ATOM 84 CA LEU A 6 -5.294 -8.100 19.190 1.00 10.00 C ATOM 85 C LEU A 6 -3.795 -8.390 19.045 1.00 10.00 C ATOM 86 O LEU A 6 -3.347 -9.504 19.228 1.00 10.00 O ATOM 87 CB LEU A 6 -5.770 -8.369 20.621 1.00 12.50 C ATOM 88 CG LEU A 6 -4.893 -7.621 21.631 1.00 12.50 C ATOM 89 CD1 LEU A 6 -4.545 -6.226 21.103 1.00 50.00 C ATOM 90 CD2 LEU A 6 -5.652 -7.485 22.951 1.00 50.00 C ATOM 0 H LEU A 6 -5.679 -9.979 18.250 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.438 -7.058 18.903 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.808 -8.055 20.730 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.738 -9.439 20.826 1.00 12.50 H new ATOM 0 HG LEU A 6 -3.971 -8.182 21.785 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.922 -5.706 21.831 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -4.003 -6.318 20.162 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.462 -5.659 20.940 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.033 -6.954 23.674 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.574 -6.929 22.785 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -5.891 -8.476 23.337 1.00 50.00 H new ATOM 102 N ASN A 7 -3.019 -7.396 18.709 1.00 10.00 N ATOM 103 CA ASN A 7 -1.551 -7.612 18.540 1.00 10.00 C ATOM 104 C ASN A 7 -0.909 -8.042 19.861 1.00 10.00 C ATOM 105 O ASN A 7 -0.982 -7.347 20.855 1.00 10.00 O ATOM 106 CB ASN A 7 -1.005 -6.254 18.106 1.00 10.00 C ATOM 107 CG ASN A 7 0.508 -6.350 17.913 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.079 -7.418 18.018 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.186 -5.272 17.632 1.00 12.50 N ATOM 0 H ASN A 7 -3.338 -6.441 18.544 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.336 -8.399 17.817 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.481 -5.939 17.178 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.239 -5.499 18.857 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.196 -5.325 17.500 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.706 -4.376 17.544 1.00 12.50 H new ATOM 116 N TYR A 8 -0.268 -9.180 19.875 1.00 50.00 N ATOM 117 CA TYR A 8 0.388 -9.649 21.128 1.00 50.00 C ATOM 118 C TYR A 8 1.485 -8.666 21.541 1.00 50.00 C ATOM 119 O TYR A 8 1.693 -8.411 22.711 1.00 50.00 O ATOM 120 CB TYR A 8 0.989 -11.011 20.779 1.00 50.00 C ATOM 121 CG TYR A 8 1.962 -11.420 21.858 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.293 -10.992 21.798 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.533 -12.226 22.919 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.196 -11.370 22.799 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.436 -12.604 23.920 1.00 50.00 C ATOM 126 CZ TYR A 8 3.767 -12.175 23.860 1.00 50.00 C ATOM 127 OH TYR A 8 4.657 -12.548 24.847 1.00 50.00 O ATOM 0 H TYR A 8 -0.171 -9.804 19.074 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.311 -9.718 21.962 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.199 -11.756 20.685 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.497 -10.961 19.816 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.624 -10.370 20.979 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.506 -12.556 22.965 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.223 -11.040 22.752 1.00 50.00 H new ATOM 0 HE2 TYR A 8 2.106 -13.227 24.738 1.00 50.00 H new ATOM 0 HH TYR A 8 5.070 -11.748 25.234 1.00 50.00 H new ATOM 137 N GLU A 9 2.187 -8.109 20.592 1.00 25.00 N ATOM 138 CA GLU A 9 3.264 -7.140 20.939 1.00 25.00 C ATOM 139 C GLU A 9 2.673 -5.974 21.733 1.00 25.00 C ATOM 140 O GLU A 9 3.308 -5.418 22.607 1.00 25.00 O ATOM 141 CB GLU A 9 3.817 -6.655 19.599 1.00 50.00 C ATOM 142 CG GLU A 9 5.335 -6.849 19.573 1.00 50.00 C ATOM 143 CD GLU A 9 6.007 -5.567 19.073 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.638 -4.505 19.546 1.00 50.00 O ATOM 145 OE2 GLU A 9 6.880 -5.672 18.227 1.00 50.00 O ATOM 0 H GLU A 9 2.062 -8.283 19.595 1.00 25.00 H new ATOM 0 HA GLU A 9 4.044 -7.588 21.555 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.355 -7.208 18.781 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.571 -5.603 19.451 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.697 -7.097 20.571 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.594 -7.685 18.923 1.00 50.00 H new ATOM 152 N THR A 10 1.455 -5.604 21.440 1.00 50.00 N ATOM 153 CA THR A 10 0.822 -4.479 22.183 1.00 50.00 C ATOM 154 C THR A 10 0.673 -4.849 23.661 1.00 50.00 C ATOM 155 O THR A 10 0.877 -4.034 24.539 1.00 50.00 O ATOM 156 CB THR A 10 -0.551 -4.292 21.534 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.386 -4.040 20.146 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.268 -3.111 22.190 1.00 50.00 C ATOM 0 H THR A 10 0.873 -6.032 20.720 1.00 50.00 H new ATOM 0 HA THR A 10 1.416 -3.566 22.139 1.00 50.00 H new ATOM 0 HB THR A 10 -1.146 -5.195 21.670 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.195 -3.615 19.792 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.246 -2.977 21.728 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.393 -3.307 23.255 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.676 -2.206 22.055 1.00 50.00 H new ATOM 166 N LEU A 11 0.325 -6.077 23.942 1.00 50.00 N ATOM 167 CA LEU A 11 0.171 -6.503 25.361 1.00 50.00 C ATOM 168 C LEU A 11 1.519 -6.392 26.079 1.00 50.00 C ATOM 169 O LEU A 11 1.607 -5.908 27.190 1.00 50.00 O ATOM 170 CB LEU A 11 -0.292 -7.962 25.286 1.00 50.00 C ATOM 171 CG LEU A 11 0.020 -8.682 26.603 1.00 50.00 C ATOM 172 CD1 LEU A 11 -0.551 -7.880 27.775 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.613 -10.075 26.583 1.00 50.00 C ATOM 0 H LEU A 11 0.141 -6.802 23.249 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.537 -5.886 25.914 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.363 -8.002 25.085 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.206 -8.468 24.459 1.00 50.00 H new ATOM 0 HG LEU A 11 1.100 -8.773 26.719 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.328 -8.394 28.710 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.101 -6.887 27.790 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -1.631 -7.787 27.661 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -0.392 -10.588 27.519 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.693 -9.982 26.466 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.206 -10.648 25.750 1.00 50.00 H new ATOM 185 N ASP A 12 2.571 -6.838 25.447 1.00 50.00 N ATOM 186 CA ASP A 12 3.915 -6.759 26.084 1.00 50.00 C ATOM 187 C ASP A 12 4.448 -5.326 26.009 1.00 50.00 C ATOM 188 O ASP A 12 4.770 -4.721 27.012 1.00 50.00 O ATOM 189 CB ASP A 12 4.796 -7.705 25.268 1.00 50.00 C ATOM 190 CG ASP A 12 5.343 -8.804 26.181 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.491 -8.544 27.363 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.606 -9.886 25.681 1.00 50.00 O ATOM 0 H ASP A 12 2.557 -7.254 24.516 1.00 50.00 H new ATOM 0 HA ASP A 12 3.892 -7.035 27.138 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.219 -8.146 24.455 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.618 -7.152 24.813 1.00 50.00 H new ATOM 197 N ASP A 13 4.541 -4.777 24.828 1.00 50.00 N ATOM 198 CA ASP A 13 5.049 -3.381 24.697 1.00 50.00 C ATOM 199 C ASP A 13 4.391 -2.489 25.752 1.00 50.00 C ATOM 200 O ASP A 13 5.053 -1.756 26.460 1.00 50.00 O ATOM 201 CB ASP A 13 4.643 -2.941 23.290 1.00 50.00 C ATOM 202 CG ASP A 13 4.795 -1.422 23.169 1.00 50.00 C ATOM 203 OD1 ASP A 13 5.581 -0.864 23.917 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.122 -0.845 22.332 1.00 50.00 O ATOM 0 H ASP A 13 4.288 -5.233 23.951 1.00 50.00 H new ATOM 0 HA ASP A 13 6.127 -3.313 24.846 1.00 50.00 H new ATOM 0 HB2 ASP A 13 5.265 -3.440 22.547 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.612 -3.232 23.089 1.00 50.00 H new ATOM 209 N GLN A 14 3.092 -2.550 25.866 1.00 50.00 N ATOM 210 CA GLN A 14 2.394 -1.711 26.881 1.00 50.00 C ATOM 211 C GLN A 14 2.624 -2.287 28.281 1.00 50.00 C ATOM 212 O GLN A 14 2.536 -1.589 29.273 1.00 50.00 O ATOM 213 CB GLN A 14 0.913 -1.784 26.506 1.00 50.00 C ATOM 214 CG GLN A 14 0.293 -0.388 26.597 1.00 50.00 C ATOM 215 CD GLN A 14 -1.228 -0.495 26.475 1.00 50.00 C ATOM 216 OE1 GLN A 14 -1.942 -0.293 27.438 1.00 50.00 O ATOM 217 NE2 GLN A 14 -1.757 -0.807 25.325 1.00 50.00 N ATOM 0 H GLN A 14 2.485 -3.144 25.301 1.00 50.00 H new ATOM 0 HA GLN A 14 2.758 -0.684 26.893 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.802 -2.177 25.496 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.391 -2.469 27.174 1.00 50.00 H new ATOM 0 HG2 GLN A 14 0.560 0.079 27.545 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.688 0.249 25.805 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -1.158 -0.976 24.517 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -2.770 -0.882 25.233 1.00 50.00 H new ATOM 226 N GLY A 15 2.923 -3.554 28.368 1.00 50.00 N ATOM 227 CA GLY A 15 3.163 -4.178 29.700 1.00 50.00 C ATOM 228 C GLY A 15 1.827 -4.402 30.411 1.00 50.00 C ATOM 229 O GLY A 15 1.726 -4.273 31.616 1.00 50.00 O ATOM 0 H GLY A 15 3.012 -4.186 27.572 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.686 -5.127 29.579 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.804 -3.535 30.303 1.00 50.00 H new ATOM 233 N TRP A 16 0.801 -4.738 29.680 1.00 50.00 N ATOM 234 CA TRP A 16 -0.525 -4.972 30.322 1.00 50.00 C ATOM 235 C TRP A 16 -0.619 -6.414 30.826 1.00 50.00 C ATOM 236 O TRP A 16 0.316 -7.181 30.715 1.00 50.00 O ATOM 237 CB TRP A 16 -1.550 -4.718 29.216 1.00 50.00 C ATOM 238 CG TRP A 16 -2.240 -3.416 29.470 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.530 -3.148 29.162 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.703 -2.205 30.076 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.818 -1.848 29.540 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.725 -1.226 30.108 1.00 50.00 C ATOM 243 CE3 TRP A 16 -0.441 -1.864 30.594 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.502 0.045 30.637 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -0.214 -0.585 31.128 1.00 50.00 C ATOM 246 CH2 TRP A 16 -1.242 0.368 31.148 1.00 50.00 C ATOM 0 H TRP A 16 0.822 -4.861 28.668 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.689 -4.325 31.184 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.056 -4.697 28.245 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.278 -5.529 29.186 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.221 -3.836 28.698 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.728 -1.404 29.414 1.00 50.00 H new ATOM 0 HE3 TRP A 16 0.359 -2.590 30.581 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.298 0.775 30.652 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 0.758 -0.334 31.526 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -1.060 1.351 31.558 1.00 50.00 H new ATOM 257 N ASP A 17 -1.739 -6.789 31.381 1.00 50.00 N ATOM 258 CA ASP A 17 -1.885 -8.184 31.892 1.00 50.00 C ATOM 259 C ASP A 17 -2.312 -9.123 30.760 1.00 50.00 C ATOM 260 O ASP A 17 -2.491 -8.711 29.633 1.00 50.00 O ATOM 261 CB ASP A 17 -2.974 -8.104 32.962 1.00 50.00 C ATOM 262 CG ASP A 17 -2.326 -7.980 34.342 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.050 -9.007 34.940 1.00 50.00 O ATOM 264 OD2 ASP A 17 -2.115 -6.860 34.777 1.00 50.00 O ATOM 0 H ASP A 17 -2.558 -6.193 31.503 1.00 50.00 H new ATOM 0 HA ASP A 17 -0.949 -8.575 32.292 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.621 -7.247 32.774 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -3.603 -8.993 32.923 1.00 50.00 H new ATOM 269 N MET A 18 -2.474 -10.384 31.053 1.00 50.00 N ATOM 270 CA MET A 18 -2.884 -11.348 29.994 1.00 50.00 C ATOM 271 C MET A 18 -4.370 -11.180 29.664 1.00 50.00 C ATOM 272 O MET A 18 -4.744 -10.992 28.523 1.00 50.00 O ATOM 273 CB MET A 18 -2.621 -12.729 30.595 1.00 50.00 C ATOM 274 CG MET A 18 -2.747 -13.793 29.503 1.00 50.00 C ATOM 275 SD MET A 18 -1.099 -14.259 28.920 1.00 50.00 S ATOM 276 CE MET A 18 -1.287 -16.047 29.118 1.00 50.00 C ATOM 0 H MET A 18 -2.340 -10.788 31.980 1.00 50.00 H new ATOM 0 HA MET A 18 -2.337 -11.195 29.064 1.00 50.00 H new ATOM 0 HB2 MET A 18 -1.625 -12.762 31.036 1.00 50.00 H new ATOM 0 HB3 MET A 18 -3.331 -12.930 31.397 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.268 -14.668 29.892 1.00 50.00 H new ATOM 0 HG3 MET A 18 -3.342 -13.410 28.674 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.368 -16.546 28.810 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.492 -16.278 30.163 1.00 50.00 H new ATOM 0 HE3 MET A 18 -2.114 -16.397 28.500 1.00 50.00 H new ATOM 286 N ASP A 19 -5.220 -11.247 30.653 1.00 50.00 N ATOM 287 CA ASP A 19 -6.680 -11.093 30.391 1.00 50.00 C ATOM 288 C ASP A 19 -7.324 -10.214 31.467 1.00 50.00 C ATOM 289 O ASP A 19 -8.528 -10.052 31.511 1.00 50.00 O ATOM 290 CB ASP A 19 -7.245 -12.513 30.452 1.00 50.00 C ATOM 291 CG ASP A 19 -6.695 -13.334 29.284 1.00 50.00 C ATOM 292 OD1 ASP A 19 -5.515 -13.641 29.304 1.00 50.00 O ATOM 293 OD2 ASP A 19 -7.465 -13.644 28.389 1.00 50.00 O ATOM 0 H ASP A 19 -4.967 -11.401 31.629 1.00 50.00 H new ATOM 0 HA ASP A 19 -6.878 -10.615 29.432 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -6.976 -12.982 31.398 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -8.334 -12.484 30.409 1.00 50.00 H new ATOM 298 N ASP A 20 -6.533 -9.648 32.336 1.00 50.00 N ATOM 299 CA ASP A 20 -7.104 -8.780 33.407 1.00 50.00 C ATOM 300 C ASP A 20 -7.411 -7.384 32.856 1.00 50.00 C ATOM 301 O ASP A 20 -8.471 -6.836 33.088 1.00 50.00 O ATOM 302 CB ASP A 20 -6.019 -8.708 34.482 1.00 50.00 C ATOM 303 CG ASP A 20 -6.569 -7.984 35.712 1.00 50.00 C ATOM 304 OD1 ASP A 20 -7.600 -7.344 35.588 1.00 50.00 O ATOM 305 OD2 ASP A 20 -5.951 -8.084 36.760 1.00 50.00 O ATOM 0 H ASP A 20 -5.518 -9.748 32.352 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.041 -9.176 33.800 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.693 -9.712 34.753 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -5.145 -8.182 34.097 1.00 50.00 H new ATOM 310 N ASP A 21 -6.492 -6.802 32.134 1.00 50.00 N ATOM 311 CA ASP A 21 -6.736 -5.441 31.576 1.00 50.00 C ATOM 312 C ASP A 21 -7.609 -5.527 30.324 1.00 50.00 C ATOM 313 O ASP A 21 -7.859 -4.539 29.661 1.00 50.00 O ATOM 314 CB ASP A 21 -5.349 -4.895 31.231 1.00 50.00 C ATOM 315 CG ASP A 21 -4.806 -4.102 32.423 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.516 -3.990 33.408 1.00 50.00 O ATOM 317 OD2 ASP A 21 -3.690 -3.619 32.328 1.00 50.00 O ATOM 0 H ASP A 21 -5.585 -7.209 31.907 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.261 -4.797 32.281 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.673 -5.715 30.987 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.406 -4.256 30.350 1.00 50.00 H new ATOM 322 N ASP A 22 -8.082 -6.698 29.998 1.00 50.00 N ATOM 323 CA ASP A 22 -8.944 -6.847 28.791 1.00 50.00 C ATOM 324 C ASP A 22 -8.381 -6.021 27.631 1.00 50.00 C ATOM 325 O ASP A 22 -9.065 -5.198 27.055 1.00 50.00 O ATOM 326 CB ASP A 22 -10.312 -6.313 29.216 1.00 50.00 C ATOM 327 CG ASP A 22 -10.820 -7.113 30.418 1.00 50.00 C ATOM 328 OD1 ASP A 22 -10.148 -8.056 30.803 1.00 50.00 O ATOM 329 OD2 ASP A 22 -11.871 -6.768 30.932 1.00 50.00 O ATOM 0 H ASP A 22 -7.909 -7.560 30.516 1.00 50.00 H new ATOM 0 HA ASP A 22 -8.997 -7.880 28.446 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.238 -5.256 29.474 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.018 -6.391 28.389 1.00 50.00 H new ATOM 334 N LEU A 23 -7.140 -6.238 27.290 1.00 50.00 N ATOM 335 CA LEU A 23 -6.517 -5.472 26.168 1.00 50.00 C ATOM 336 C LEU A 23 -7.522 -5.275 25.027 1.00 50.00 C ATOM 337 O LEU A 23 -7.775 -4.168 24.594 1.00 50.00 O ATOM 338 CB LEU A 23 -5.356 -6.345 25.700 1.00 50.00 C ATOM 339 CG LEU A 23 -4.425 -6.638 26.876 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.379 -8.147 27.125 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.020 -6.130 26.549 1.00 50.00 C ATOM 0 H LEU A 23 -6.526 -6.916 27.741 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.193 -4.479 26.480 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -5.735 -7.278 25.283 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -4.806 -5.840 24.905 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.795 -6.135 27.769 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.715 -8.357 27.964 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -5.381 -8.508 27.356 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.008 -8.652 26.233 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.354 -6.338 27.386 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -2.649 -6.634 25.657 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.054 -5.055 26.371 1.00 50.00 H new ATOM 353 N PHE A 24 -8.097 -6.340 24.542 1.00 50.00 N ATOM 354 CA PHE A 24 -9.087 -6.220 23.434 1.00 50.00 C ATOM 355 C PHE A 24 -10.027 -5.049 23.712 1.00 50.00 C ATOM 356 O PHE A 24 -10.575 -4.446 22.810 1.00 50.00 O ATOM 357 CB PHE A 24 -9.868 -7.534 23.454 1.00 50.00 C ATOM 358 CG PHE A 24 -9.091 -8.602 22.724 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.166 -8.694 21.329 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.302 -9.505 23.444 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.449 -9.690 20.655 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.585 -10.500 22.770 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.659 -10.593 21.376 1.00 50.00 C ATOM 0 H PHE A 24 -7.924 -7.292 24.866 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.612 -6.042 22.469 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.050 -7.844 24.483 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -10.842 -7.396 22.985 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.776 -7.997 20.773 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -8.246 -9.434 24.520 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.505 -9.762 19.579 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -6.975 -11.196 23.326 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.106 -11.362 20.856 1.00 50.00 H new ATOM 373 N GLU A 25 -10.222 -4.735 24.959 1.00 50.00 N ATOM 374 CA GLU A 25 -11.135 -3.609 25.311 1.00 50.00 C ATOM 375 C GLU A 25 -10.342 -2.315 25.521 1.00 50.00 C ATOM 376 O GLU A 25 -10.720 -1.263 25.046 1.00 50.00 O ATOM 377 CB GLU A 25 -11.810 -4.041 26.615 1.00 50.00 C ATOM 378 CG GLU A 25 -13.330 -4.007 26.436 1.00 50.00 C ATOM 379 CD GLU A 25 -13.839 -5.416 26.125 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.150 -6.133 27.062 1.00 50.00 O ATOM 381 OE2 GLU A 25 -13.910 -5.754 24.955 1.00 50.00 O ATOM 0 H GLU A 25 -9.790 -5.208 25.753 1.00 50.00 H new ATOM 0 HA GLU A 25 -11.858 -3.407 24.521 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.487 -5.045 26.889 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.514 -3.378 27.428 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.805 -3.629 27.341 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.597 -3.326 25.628 1.00 50.00 H new ATOM 388 N LYS A 26 -9.252 -2.382 26.231 1.00 50.00 N ATOM 389 CA LYS A 26 -8.443 -1.151 26.470 1.00 50.00 C ATOM 390 C LYS A 26 -7.714 -0.731 25.190 1.00 50.00 C ATOM 391 O LYS A 26 -7.306 0.403 25.042 1.00 50.00 O ATOM 392 CB LYS A 26 -7.442 -1.540 27.557 1.00 50.00 C ATOM 393 CG LYS A 26 -7.407 -0.450 28.630 1.00 50.00 C ATOM 394 CD LYS A 26 -7.605 -1.084 30.008 1.00 50.00 C ATOM 395 CE LYS A 26 -8.064 -0.014 31.002 1.00 50.00 C ATOM 396 NZ LYS A 26 -9.249 -0.609 31.684 1.00 50.00 N ATOM 0 H LYS A 26 -8.885 -3.233 26.656 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.062 -0.305 26.769 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.724 -2.494 28.002 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.450 -1.671 27.124 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -6.455 0.079 28.595 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -8.188 0.286 28.441 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -8.345 -1.882 29.950 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -6.674 -1.537 30.349 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -7.276 0.226 31.716 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -8.326 0.913 30.492 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -9.622 0.065 32.382 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -9.984 -0.821 30.980 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -8.968 -1.487 32.166 1.00 50.00 H new ATOM 410 N ALA A 27 -7.545 -1.637 24.266 1.00 50.00 N ATOM 411 CA ALA A 27 -6.841 -1.285 23.000 1.00 50.00 C ATOM 412 C ALA A 27 -7.703 -0.338 22.160 1.00 50.00 C ATOM 413 O ALA A 27 -7.252 0.226 21.183 1.00 50.00 O ATOM 414 CB ALA A 27 -6.642 -2.615 22.273 1.00 50.00 C ATOM 0 H ALA A 27 -7.863 -2.604 24.332 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.895 -0.775 23.183 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.128 -2.440 21.328 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.044 -3.283 22.893 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.612 -3.072 22.079 1.00 50.00 H new ATOM 420 N ALA A 28 -8.940 -0.160 22.534 1.00 50.00 N ATOM 421 CA ALA A 28 -9.829 0.751 21.758 1.00 50.00 C ATOM 422 C ALA A 28 -9.657 2.194 22.241 1.00 50.00 C ATOM 423 O ALA A 28 -10.025 3.133 21.565 1.00 50.00 O ATOM 424 CB ALA A 28 -11.247 0.256 22.044 1.00 50.00 C ATOM 0 H ALA A 28 -9.374 -0.605 23.343 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.601 0.743 20.692 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -11.964 0.877 21.507 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.345 -0.778 21.715 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.444 0.316 23.114 1.00 50.00 H new ATOM 430 N ASP A 29 -9.098 2.375 23.406 1.00 50.00 N ATOM 431 CA ASP A 29 -8.901 3.756 23.934 1.00 50.00 C ATOM 432 C ASP A 29 -7.564 4.325 23.449 1.00 50.00 C ATOM 433 O ASP A 29 -7.334 5.517 23.493 1.00 50.00 O ATOM 434 CB ASP A 29 -8.893 3.602 25.455 1.00 50.00 C ATOM 435 CG ASP A 29 -9.940 4.534 26.069 1.00 50.00 C ATOM 436 OD1 ASP A 29 -9.721 5.735 26.049 1.00 50.00 O ATOM 437 OD2 ASP A 29 -10.942 4.032 26.549 1.00 50.00 O ATOM 0 H ASP A 29 -8.769 1.626 24.016 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.679 4.440 23.596 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.107 2.568 25.727 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -7.905 3.838 25.850 1.00 50.00 H new ATOM 442 N ALA A 30 -6.680 3.482 22.990 1.00 50.00 N ATOM 443 CA ALA A 30 -5.361 3.979 22.506 1.00 50.00 C ATOM 444 C ALA A 30 -5.411 4.251 21.000 1.00 50.00 C ATOM 445 O ALA A 30 -4.600 4.979 20.464 1.00 50.00 O ATOM 446 CB ALA A 30 -4.376 2.851 22.815 1.00 50.00 C ATOM 0 H ALA A 30 -6.814 2.473 22.929 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.074 4.915 22.985 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.377 3.140 22.488 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.365 2.661 23.888 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.682 1.946 22.290 1.00 50.00 H new ATOM 452 N GLY A 31 -6.356 3.671 20.313 1.00 50.00 N ATOM 453 CA GLY A 31 -6.453 3.898 18.844 1.00 50.00 C ATOM 454 C GLY A 31 -5.350 3.110 18.135 1.00 50.00 C ATOM 455 O GLY A 31 -4.787 3.555 17.154 1.00 50.00 O ATOM 0 H GLY A 31 -7.064 3.050 20.705 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.431 3.584 18.480 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -6.356 4.961 18.622 1.00 50.00 H new ATOM 459 N LEU A 32 -5.037 1.942 18.624 1.00 50.00 N ATOM 460 CA LEU A 32 -3.970 1.125 17.979 1.00 50.00 C ATOM 461 C LEU A 32 -4.262 0.957 16.486 1.00 50.00 C ATOM 462 O LEU A 32 -5.281 1.395 15.989 1.00 50.00 O ATOM 463 CB LEU A 32 -4.021 -0.225 18.694 1.00 50.00 C ATOM 464 CG LEU A 32 -3.613 -0.040 20.157 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.847 -1.344 20.922 1.00 50.00 C ATOM 466 CD2 LEU A 32 -2.131 0.334 20.229 1.00 50.00 C ATOM 0 H LEU A 32 -5.474 1.518 19.442 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.987 1.590 18.057 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -5.026 -0.643 18.635 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.352 -0.934 18.205 1.00 50.00 H new ATOM 0 HG LEU A 32 -4.211 0.755 20.603 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.556 -1.212 21.964 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.902 -1.611 20.871 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.249 -2.139 20.477 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.839 0.466 21.271 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.533 -0.461 19.783 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.963 1.263 19.685 1.00 50.00 H new ATOM 478 N ASP A 33 -3.376 0.327 15.765 1.00 50.00 N ATOM 479 CA ASP A 33 -3.604 0.134 14.304 1.00 50.00 C ATOM 480 C ASP A 33 -4.571 -1.028 14.066 1.00 50.00 C ATOM 481 O ASP A 33 -4.684 -1.929 14.874 1.00 50.00 O ATOM 482 CB ASP A 33 -2.225 -0.189 13.728 1.00 50.00 C ATOM 483 CG ASP A 33 -1.191 0.782 14.301 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.590 1.841 14.756 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.017 0.450 14.274 1.00 50.00 O ATOM 0 H ASP A 33 -2.504 -0.063 16.124 1.00 50.00 H new ATOM 0 HA ASP A 33 -4.046 1.014 13.836 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.949 -1.215 13.971 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -2.247 -0.114 12.641 1.00 50.00 H new ATOM 490 N GLY A 34 -5.269 -1.015 12.964 1.00 50.00 N ATOM 491 CA GLY A 34 -6.225 -2.120 12.675 1.00 50.00 C ATOM 492 C GLY A 34 -5.446 -3.421 12.475 1.00 50.00 C ATOM 493 O GLY A 34 -5.975 -4.504 12.635 1.00 50.00 O ATOM 0 H GLY A 34 -5.218 -0.287 12.251 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.933 -2.229 13.497 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.806 -1.890 11.782 1.00 50.00 H new ATOM 497 N GLU A 35 -4.190 -3.325 12.131 1.00 50.00 N ATOM 498 CA GLU A 35 -3.377 -4.558 11.927 1.00 50.00 C ATOM 499 C GLU A 35 -2.977 -5.151 13.281 1.00 50.00 C ATOM 500 O GLU A 35 -2.265 -6.132 13.354 1.00 50.00 O ATOM 501 CB GLU A 35 -2.138 -4.096 11.158 1.00 50.00 C ATOM 502 CG GLU A 35 -2.566 -3.445 9.841 1.00 50.00 C ATOM 503 CD GLU A 35 -1.750 -4.040 8.691 1.00 50.00 C ATOM 504 OE1 GLU A 35 -1.799 -5.246 8.518 1.00 50.00 O ATOM 505 OE2 GLU A 35 -1.090 -3.278 8.003 1.00 50.00 O ATOM 0 H GLU A 35 -3.692 -2.447 11.983 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.925 -5.331 11.387 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.568 -3.386 11.758 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -1.483 -4.944 10.960 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -3.630 -3.610 9.670 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.414 -2.367 9.889 1.00 50.00 H new ATOM 512 N ASP A 36 -3.429 -4.560 14.353 1.00 50.00 N ATOM 513 CA ASP A 36 -3.075 -5.084 15.703 1.00 50.00 C ATOM 514 C ASP A 36 -4.345 -5.397 16.498 1.00 50.00 C ATOM 515 O ASP A 36 -4.514 -6.485 17.013 1.00 50.00 O ATOM 516 CB ASP A 36 -2.287 -3.954 16.366 1.00 50.00 C ATOM 517 CG ASP A 36 -0.882 -3.889 15.762 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.388 -4.926 15.349 1.00 50.00 O ATOM 519 OD2 ASP A 36 -0.324 -2.805 15.722 1.00 50.00 O ATOM 0 H ASP A 36 -4.029 -3.735 14.352 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.499 -6.008 15.653 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.801 -3.004 16.221 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -2.225 -4.122 17.441 1.00 50.00 H new ATOM 524 N TYR A 37 -5.243 -4.454 16.601 1.00 12.50 N ATOM 525 CA TYR A 37 -6.502 -4.704 17.361 1.00 12.50 C ATOM 526 C TYR A 37 -7.714 -4.241 16.547 1.00 12.50 C ATOM 527 O TYR A 37 -7.642 -3.291 15.791 1.00 12.50 O ATOM 528 CB TYR A 37 -6.368 -3.877 18.642 1.00 12.50 C ATOM 529 CG TYR A 37 -7.728 -3.707 19.282 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.482 -4.833 19.633 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.236 -2.423 19.518 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.744 -4.676 20.222 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.497 -2.266 20.107 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.250 -3.392 20.458 1.00 12.50 C ATOM 535 OH TYR A 37 -11.494 -3.237 21.038 1.00 50.00 O ATOM 0 H TYR A 37 -5.160 -3.523 16.193 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.649 -5.763 17.575 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.688 -4.371 19.336 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.938 -2.902 18.414 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -8.091 -5.823 19.450 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.655 -1.554 19.246 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -10.326 -5.545 20.494 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.888 -1.276 20.290 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.426 -3.390 22.004 1.00 50.00 H new ATOM 545 N GLY A 38 -8.828 -4.902 16.701 1.00 10.00 N ATOM 546 CA GLY A 38 -10.044 -4.498 15.940 1.00 10.00 C ATOM 547 C GLY A 38 -10.976 -5.702 15.794 1.00 10.00 C ATOM 548 O GLY A 38 -10.749 -6.748 16.369 1.00 10.00 O ATOM 0 H GLY A 38 -8.949 -5.704 17.320 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.557 -3.687 16.457 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.762 -4.121 14.957 1.00 10.00 H new ATOM 552 N THR A 39 -12.022 -5.564 15.028 1.00 10.00 N ATOM 553 CA THR A 39 -12.965 -6.703 14.845 1.00 10.00 C ATOM 554 C THR A 39 -12.582 -7.503 13.596 1.00 10.00 C ATOM 555 O THR A 39 -12.438 -6.959 12.519 1.00 10.00 O ATOM 556 CB THR A 39 -14.341 -6.057 14.672 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.369 -4.814 15.360 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.417 -6.982 15.244 1.00 50.00 C ATOM 0 H THR A 39 -12.265 -4.713 14.521 1.00 10.00 H new ATOM 0 HA THR A 39 -12.948 -7.396 15.686 1.00 10.00 H new ATOM 0 HB THR A 39 -14.534 -5.891 13.612 1.00 50.00 H new ATOM 0 HG1 THR A 39 -15.249 -4.398 15.249 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.397 -6.521 15.120 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.395 -7.935 14.716 1.00 50.00 H new ATOM 0 HG23 THR A 39 -15.226 -7.150 16.304 1.00 50.00 H new ATOM 566 N MET A 40 -12.411 -8.789 13.733 1.00 10.00 N ATOM 567 CA MET A 40 -12.031 -9.620 12.554 1.00 10.00 C ATOM 568 C MET A 40 -13.223 -10.462 12.088 1.00 10.00 C ATOM 569 O MET A 40 -13.840 -11.165 12.864 1.00 10.00 O ATOM 570 CB MET A 40 -10.904 -10.522 13.056 1.00 10.00 C ATOM 571 CG MET A 40 -9.731 -10.473 12.076 1.00 10.00 C ATOM 572 SD MET A 40 -8.682 -11.927 12.324 1.00 12.50 S ATOM 573 CE MET A 40 -9.685 -13.095 11.373 1.00 50.00 C ATOM 0 H MET A 40 -12.518 -9.301 14.609 1.00 10.00 H new ATOM 0 HA MET A 40 -11.723 -9.012 11.704 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.579 -10.198 14.045 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.263 -11.546 13.158 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.100 -10.447 11.051 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.152 -9.562 12.229 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.033 -13.727 10.770 1.00 50.00 H new ATOM 0 HE2 MET A 40 -10.264 -13.717 12.055 1.00 50.00 H new ATOM 0 HE3 MET A 40 -10.362 -12.545 10.720 1.00 50.00 H new ATOM 583 N GLU A 41 -13.546 -10.403 10.825 1.00 10.00 N ATOM 584 CA GLU A 41 -14.691 -11.206 10.307 1.00 10.00 C ATOM 585 C GLU A 41 -14.167 -12.383 9.479 1.00 10.00 C ATOM 586 O GLU A 41 -13.505 -12.200 8.477 1.00 10.00 O ATOM 587 CB GLU A 41 -15.487 -10.241 9.427 1.00 10.00 C ATOM 588 CG GLU A 41 -16.892 -10.801 9.197 1.00 10.00 C ATOM 589 CD GLU A 41 -17.837 -10.269 10.276 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.686 -10.671 11.418 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.695 -9.467 9.942 1.00 12.50 O ATOM 0 H GLU A 41 -13.066 -9.833 10.128 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.304 -11.623 11.106 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.547 -9.263 9.904 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -14.980 -10.100 8.473 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.252 -10.513 8.209 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -16.869 -11.890 9.223 1.00 10.00 H new ATOM 598 N VAL A 42 -14.451 -13.588 9.891 1.00 10.00 N ATOM 599 CA VAL A 42 -13.957 -14.767 9.126 1.00 10.00 C ATOM 600 C VAL A 42 -15.126 -15.643 8.670 1.00 10.00 C ATOM 601 O VAL A 42 -15.933 -16.082 9.466 1.00 10.00 O ATOM 602 CB VAL A 42 -13.068 -15.531 10.108 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.614 -16.845 9.468 1.00 10.00 C ATOM 604 CG2 VAL A 42 -11.844 -14.681 10.454 1.00 10.00 C ATOM 0 H VAL A 42 -15.002 -13.807 10.721 1.00 10.00 H new ATOM 0 HA VAL A 42 -13.417 -14.472 8.226 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.630 -15.745 11.017 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.980 -17.390 10.167 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.486 -17.450 9.221 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.052 -16.632 8.559 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.210 -15.225 11.154 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -11.281 -14.467 9.545 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -12.168 -13.745 10.909 1.00 10.00 H new ATOM 614 N ALA A 43 -15.219 -15.906 7.395 1.00 10.00 N ATOM 615 CA ALA A 43 -16.331 -16.759 6.890 1.00 10.00 C ATOM 616 C ALA A 43 -16.202 -18.174 7.460 1.00 10.00 C ATOM 617 O ALA A 43 -15.135 -18.756 7.463 1.00 10.00 O ATOM 618 CB ALA A 43 -16.161 -16.774 5.371 1.00 50.00 C ATOM 0 H ALA A 43 -14.573 -15.567 6.682 1.00 10.00 H new ATOM 0 HA ALA A 43 -17.311 -16.383 7.184 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -16.945 -17.384 4.923 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -16.229 -15.756 4.987 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -15.187 -17.193 5.118 1.00 50.00 H new ATOM 624 N GLU A 44 -17.275 -18.730 7.947 1.00 10.00 N ATOM 625 CA GLU A 44 -17.206 -20.106 8.519 1.00 10.00 C ATOM 626 C GLU A 44 -16.624 -21.078 7.491 1.00 10.00 C ATOM 627 O GLU A 44 -17.227 -21.362 6.475 1.00 10.00 O ATOM 628 CB GLU A 44 -18.654 -20.469 8.847 1.00 10.00 C ATOM 629 CG GLU A 44 -18.676 -21.622 9.852 1.00 10.00 C ATOM 630 CD GLU A 44 -20.092 -21.780 10.414 1.00 25.00 C ATOM 631 OE1 GLU A 44 -20.779 -20.779 10.525 1.00 25.00 O ATOM 632 OE2 GLU A 44 -20.463 -22.901 10.724 1.00 25.00 O ATOM 0 H GLU A 44 -18.196 -18.293 7.975 1.00 10.00 H new ATOM 0 HA GLU A 44 -16.564 -20.158 9.399 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.173 -19.603 9.259 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.183 -20.755 7.938 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -18.359 -22.546 9.369 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -17.971 -21.428 10.661 1.00 10.00 H new ATOM 639 N GLY A 45 -15.452 -21.592 7.750 1.00 10.00 N ATOM 640 CA GLY A 45 -14.826 -22.544 6.792 1.00 10.00 C ATOM 641 C GLY A 45 -13.615 -21.881 6.133 1.00 10.00 C ATOM 642 O GLY A 45 -13.007 -22.429 5.235 1.00 10.00 O ATOM 0 H GLY A 45 -14.901 -21.393 8.585 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.519 -23.451 7.312 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.549 -22.841 6.033 1.00 10.00 H new ATOM 646 N GLU A 46 -13.258 -20.702 6.570 1.00 10.00 N ATOM 647 CA GLU A 46 -12.084 -20.009 5.963 1.00 10.00 C ATOM 648 C GLU A 46 -10.931 -19.931 6.968 1.00 10.00 C ATOM 649 O GLU A 46 -11.136 -19.958 8.166 1.00 10.00 O ATOM 650 CB GLU A 46 -12.587 -18.608 5.616 1.00 10.00 C ATOM 651 CG GLU A 46 -12.037 -18.195 4.248 1.00 10.00 C ATOM 652 CD GLU A 46 -12.355 -16.720 3.993 1.00 10.00 C ATOM 653 OE1 GLU A 46 -11.542 -15.887 4.360 1.00 10.00 O ATOM 654 OE2 GLU A 46 -13.405 -16.450 3.434 1.00 10.00 O ATOM 0 H GLU A 46 -13.727 -20.191 7.318 1.00 10.00 H new ATOM 0 HA GLU A 46 -11.704 -20.536 5.088 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -13.677 -18.594 5.601 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.269 -17.896 6.378 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -10.960 -18.357 4.214 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -12.477 -18.813 3.466 1.00 10.00 H new ATOM 661 N TYR A 47 -9.720 -19.837 6.489 1.00 10.00 N ATOM 662 CA TYR A 47 -8.553 -19.758 7.417 1.00 10.00 C ATOM 663 C TYR A 47 -8.425 -18.343 7.988 1.00 10.00 C ATOM 664 O TYR A 47 -8.526 -17.364 7.275 1.00 10.00 O ATOM 665 CB TYR A 47 -7.336 -20.097 6.556 1.00 10.00 C ATOM 666 CG TYR A 47 -7.548 -21.430 5.884 1.00 10.00 C ATOM 667 CD1 TYR A 47 -7.389 -22.616 6.611 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.903 -21.483 4.531 1.00 10.00 C ATOM 669 CE1 TYR A 47 -7.584 -23.853 5.986 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.100 -22.719 3.905 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.940 -23.905 4.633 1.00 10.00 C ATOM 672 OH TYR A 47 -8.135 -25.124 4.016 1.00 10.00 O ATOM 0 H TYR A 47 -9.487 -19.811 5.496 1.00 10.00 H new ATOM 0 HA TYR A 47 -8.655 -20.436 8.264 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.181 -19.321 5.806 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -6.438 -20.128 7.173 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -7.116 -22.576 7.655 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.025 -20.569 3.969 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -7.460 -24.767 6.547 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.375 -22.758 2.861 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.378 -24.980 3.078 1.00 10.00 H new ATOM 682 N ILE A 48 -8.205 -18.229 9.269 1.00 10.00 N ATOM 683 CA ILE A 48 -8.070 -16.877 9.885 1.00 10.00 C ATOM 684 C ILE A 48 -7.095 -16.017 9.075 1.00 10.00 C ATOM 685 O ILE A 48 -7.449 -14.971 8.568 1.00 10.00 O ATOM 686 CB ILE A 48 -7.519 -17.132 11.288 1.00 10.00 C ATOM 687 CG1 ILE A 48 -8.589 -17.816 12.142 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.128 -15.800 11.930 1.00 10.00 C ATOM 689 CD1 ILE A 48 -9.775 -16.869 12.331 1.00 10.00 C ATOM 0 H ILE A 48 -8.113 -19.012 9.916 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.019 -16.341 9.910 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.642 -17.776 11.223 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -8.919 -18.737 11.661 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -8.174 -18.093 13.111 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.735 -15.980 12.931 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.365 -15.313 11.322 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.005 -15.156 11.995 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -10.537 -17.357 12.939 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -9.439 -15.960 12.830 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -10.196 -16.614 11.358 1.00 10.00 H new ATOM 701 N LEU A 49 -5.869 -16.449 8.952 1.00 10.00 N ATOM 702 CA LEU A 49 -4.871 -15.653 8.179 1.00 10.00 C ATOM 703 C LEU A 49 -5.484 -15.154 6.866 1.00 10.00 C ATOM 704 O LEU A 49 -5.276 -14.028 6.461 1.00 10.00 O ATOM 705 CB LEU A 49 -3.721 -16.625 7.900 1.00 10.00 C ATOM 706 CG LEU A 49 -2.843 -16.072 6.774 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.388 -16.477 7.016 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.314 -16.640 5.434 1.00 10.00 C ATOM 0 H LEU A 49 -5.515 -17.318 9.353 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.538 -14.770 8.725 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.126 -16.769 8.802 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.116 -17.601 7.620 1.00 10.00 H new ATOM 0 HG LEU A 49 -2.919 -14.985 6.755 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.763 -16.084 6.215 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.052 -16.072 7.971 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.311 -17.564 7.035 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.689 -16.246 4.632 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.238 -17.727 5.453 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.351 -16.352 5.261 1.00 10.00 H new ATOM 720 N GLU A 50 -6.235 -15.985 6.197 1.00 10.00 N ATOM 721 CA GLU A 50 -6.854 -15.557 4.909 1.00 10.00 C ATOM 722 C GLU A 50 -8.067 -14.660 5.169 1.00 10.00 C ATOM 723 O GLU A 50 -8.225 -13.619 4.559 1.00 10.00 O ATOM 724 CB GLU A 50 -7.281 -16.857 4.227 1.00 10.00 C ATOM 725 CG GLU A 50 -7.250 -16.673 2.708 1.00 10.00 C ATOM 726 CD GLU A 50 -8.607 -17.065 2.120 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.904 -18.248 2.106 1.00 50.00 O ATOM 728 OE2 GLU A 50 -9.324 -16.175 1.693 1.00 50.00 O ATOM 0 H GLU A 50 -6.447 -16.940 6.485 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.165 -14.979 4.293 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -6.615 -17.669 4.519 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.284 -17.136 4.549 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -7.020 -15.637 2.461 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.462 -17.287 2.272 1.00 10.00 H new ATOM 735 N ALA A 51 -8.928 -15.053 6.067 1.00 10.00 N ATOM 736 CA ALA A 51 -10.131 -14.221 6.360 1.00 10.00 C ATOM 737 C ALA A 51 -9.714 -12.808 6.764 1.00 10.00 C ATOM 738 O ALA A 51 -10.298 -11.830 6.341 1.00 10.00 O ATOM 739 CB ALA A 51 -10.833 -14.929 7.518 1.00 12.50 C ATOM 0 H ALA A 51 -8.851 -15.913 6.610 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.783 -14.120 5.492 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.731 -14.375 7.792 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.108 -15.939 7.214 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.161 -14.979 8.375 1.00 12.50 H new ATOM 745 N ALA A 52 -8.707 -12.695 7.579 1.00 10.00 N ATOM 746 CA ALA A 52 -8.247 -11.344 8.014 1.00 10.00 C ATOM 747 C ALA A 52 -7.378 -10.707 6.928 1.00 10.00 C ATOM 748 O ALA A 52 -7.259 -9.501 6.844 1.00 10.00 O ATOM 749 CB ALA A 52 -7.435 -11.589 9.284 1.00 10.00 C ATOM 0 H ALA A 52 -8.180 -13.478 7.965 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.078 -10.662 8.192 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -7.061 -10.639 9.666 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.069 -12.058 10.036 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.594 -12.245 9.058 1.00 10.00 H new ATOM 755 N GLU A 53 -6.774 -11.506 6.091 1.00 10.00 N ATOM 756 CA GLU A 53 -5.922 -10.937 5.008 1.00 10.00 C ATOM 757 C GLU A 53 -6.788 -10.135 4.037 1.00 10.00 C ATOM 758 O GLU A 53 -6.348 -9.169 3.446 1.00 10.00 O ATOM 759 CB GLU A 53 -5.304 -12.147 4.307 1.00 10.00 C ATOM 760 CG GLU A 53 -4.734 -11.717 2.953 1.00 10.00 C ATOM 761 CD GLU A 53 -5.478 -12.444 1.832 1.00 10.00 C ATOM 762 OE1 GLU A 53 -5.272 -13.637 1.685 1.00 10.00 O ATOM 763 OE2 GLU A 53 -6.243 -11.794 1.138 1.00 10.00 O ATOM 0 H GLU A 53 -6.833 -12.524 6.110 1.00 10.00 H new ATOM 0 HA GLU A 53 -5.157 -10.261 5.391 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.516 -12.576 4.926 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -6.057 -12.923 4.167 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.834 -10.639 2.830 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.669 -11.946 2.905 1.00 10.00 H new ATOM 770 N ALA A 54 -8.019 -10.531 3.872 1.00 10.00 N ATOM 771 CA ALA A 54 -8.921 -9.794 2.941 1.00 10.00 C ATOM 772 C ALA A 54 -9.170 -8.376 3.460 1.00 10.00 C ATOM 773 O ALA A 54 -9.593 -7.503 2.729 1.00 10.00 O ATOM 774 CB ALA A 54 -10.222 -10.598 2.932 1.00 50.00 C ATOM 0 H ALA A 54 -8.440 -11.333 4.341 1.00 10.00 H new ATOM 0 HA ALA A 54 -8.495 -9.697 1.942 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.941 -10.119 2.267 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -10.022 -11.610 2.581 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.632 -10.638 3.941 1.00 50.00 H new ATOM 780 N GLN A 55 -8.909 -8.141 4.717 1.00 10.00 N ATOM 781 CA GLN A 55 -9.129 -6.779 5.280 1.00 10.00 C ATOM 782 C GLN A 55 -7.807 -6.007 5.331 1.00 10.00 C ATOM 783 O GLN A 55 -7.788 -4.792 5.365 1.00 10.00 O ATOM 784 CB GLN A 55 -9.666 -7.017 6.692 1.00 10.00 C ATOM 785 CG GLN A 55 -11.115 -7.503 6.608 1.00 10.00 C ATOM 786 CD GLN A 55 -11.969 -6.439 5.919 1.00 10.00 C ATOM 787 OE1 GLN A 55 -12.819 -6.754 5.109 1.00 10.00 O ATOM 788 NE2 GLN A 55 -11.779 -5.180 6.206 1.00 10.00 N ATOM 0 H GLN A 55 -8.553 -8.832 5.377 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.818 -6.188 4.676 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -9.052 -7.756 7.207 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.612 -6.097 7.274 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.164 -8.440 6.053 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.501 -7.704 7.607 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -11.066 -4.914 6.885 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.343 -4.462 5.751 1.00 10.00 H new ATOM 797 N GLY A 56 -6.703 -6.702 5.336 1.00 10.00 N ATOM 798 CA GLY A 56 -5.385 -6.007 5.383 1.00 10.00 C ATOM 799 C GLY A 56 -4.570 -6.533 6.568 1.00 10.00 C ATOM 800 O GLY A 56 -3.410 -6.210 6.727 1.00 10.00 O ATOM 0 H GLY A 56 -6.656 -7.721 5.310 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.842 -6.172 4.453 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.533 -4.931 5.479 1.00 10.00 H new ATOM 804 N TYR A 57 -5.168 -7.341 7.400 1.00 10.00 N ATOM 805 CA TYR A 57 -4.426 -7.886 8.575 1.00 10.00 C ATOM 806 C TYR A 57 -3.258 -8.757 8.108 1.00 10.00 C ATOM 807 O TYR A 57 -3.419 -9.648 7.296 1.00 10.00 O ATOM 808 CB TYR A 57 -5.454 -8.724 9.334 1.00 10.00 C ATOM 809 CG TYR A 57 -6.619 -7.851 9.736 1.00 10.00 C ATOM 810 CD1 TYR A 57 -6.397 -6.538 10.170 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.922 -8.357 9.677 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.479 -5.733 10.543 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.003 -7.553 10.050 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.783 -6.240 10.483 1.00 12.50 C ATOM 815 OH TYR A 57 -9.850 -5.446 10.852 1.00 12.50 O ATOM 0 H TYR A 57 -6.137 -7.648 7.318 1.00 10.00 H new ATOM 0 HA TYR A 57 -4.001 -7.099 9.198 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.801 -9.547 8.709 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.996 -9.167 10.218 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -5.391 -6.147 10.217 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -8.093 -9.370 9.343 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -7.308 -4.720 10.877 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -10.008 -7.945 10.004 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.817 -5.282 11.818 1.00 12.50 H new ATOM 825 N ASP A 58 -2.080 -8.507 8.615 1.00 10.00 N ATOM 826 CA ASP A 58 -0.898 -9.319 8.202 1.00 10.00 C ATOM 827 C ASP A 58 -0.559 -10.352 9.283 1.00 10.00 C ATOM 828 O ASP A 58 -0.636 -10.077 10.463 1.00 10.00 O ATOM 829 CB ASP A 58 0.239 -8.308 8.052 1.00 10.00 C ATOM 830 CG ASP A 58 0.622 -7.764 9.429 1.00 10.00 C ATOM 831 OD1 ASP A 58 1.441 -8.388 10.084 1.00 10.00 O ATOM 832 OD2 ASP A 58 0.090 -6.732 9.806 1.00 10.00 O ATOM 0 H ASP A 58 -1.885 -7.775 9.298 1.00 10.00 H new ATOM 0 HA ASP A 58 -1.078 -9.873 7.281 1.00 10.00 H new ATOM 0 HB2 ASP A 58 1.102 -8.782 7.583 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -0.070 -7.491 7.399 1.00 10.00 H new ATOM 837 N TRP A 59 -0.186 -11.540 8.887 1.00 10.00 N ATOM 838 CA TRP A 59 0.154 -12.588 9.895 1.00 10.00 C ATOM 839 C TRP A 59 1.480 -13.262 9.538 1.00 10.00 C ATOM 840 O TRP A 59 1.781 -13.468 8.378 1.00 10.00 O ATOM 841 CB TRP A 59 -0.988 -13.600 9.819 1.00 10.00 C ATOM 842 CG TRP A 59 -2.290 -12.892 9.989 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.813 -12.009 9.109 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.241 -12.987 11.087 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.022 -11.553 9.598 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.330 -12.127 10.814 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.264 -13.727 12.283 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.404 -12.005 11.696 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.345 -13.607 13.172 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.412 -12.748 12.879 1.00 50.00 C ATOM 0 H TRP A 59 -0.102 -11.830 7.913 1.00 10.00 H new ATOM 0 HA TRP A 59 0.267 -12.169 10.895 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -0.966 -14.118 8.860 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -0.870 -14.357 10.594 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.360 -11.709 8.176 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.614 -10.875 9.119 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.446 -14.391 12.519 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.224 -11.341 11.466 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.354 -14.181 14.087 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.240 -12.660 13.567 1.00 50.00 H new ATOM 861 N PRO A 60 2.226 -13.592 10.554 1.00 10.00 N ATOM 862 CA PRO A 60 3.530 -14.263 10.353 1.00 10.00 C ATOM 863 C PRO A 60 3.308 -15.720 9.940 1.00 10.00 C ATOM 864 O PRO A 60 2.465 -16.405 10.481 1.00 10.00 O ATOM 865 CB PRO A 60 4.192 -14.181 11.724 1.00 10.00 C ATOM 866 CG PRO A 60 3.058 -14.063 12.695 1.00 10.00 C ATOM 867 CD PRO A 60 1.926 -13.374 11.975 1.00 10.00 C ATOM 0 HA PRO A 60 4.136 -13.808 9.570 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.794 -15.067 11.926 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.859 -13.321 11.790 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.748 -15.047 13.047 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.360 -13.492 13.573 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.961 -13.799 12.249 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.887 -12.312 12.217 1.00 10.00 H new ATOM 875 N PHE A 61 4.056 -16.198 8.986 1.00 10.00 N ATOM 876 CA PHE A 61 3.878 -17.611 8.544 1.00 10.00 C ATOM 877 C PHE A 61 5.137 -18.102 7.832 1.00 10.00 C ATOM 878 O PHE A 61 5.886 -17.330 7.267 1.00 10.00 O ATOM 879 CB PHE A 61 2.692 -17.582 7.580 1.00 10.00 C ATOM 880 CG PHE A 61 2.914 -16.510 6.541 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.908 -16.671 5.570 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.123 -15.355 6.550 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.112 -15.676 4.606 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.328 -14.360 5.587 1.00 10.00 C ATOM 885 CZ PHE A 61 3.322 -14.521 4.614 1.00 10.00 C ATOM 0 H PHE A 61 4.780 -15.675 8.494 1.00 10.00 H new ATOM 0 HA PHE A 61 3.702 -18.286 9.382 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.578 -18.553 7.098 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.770 -17.388 8.127 1.00 10.00 H new ATOM 0 HD1 PHE A 61 4.518 -17.562 5.564 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.355 -15.232 7.299 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.879 -15.800 3.856 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.719 -13.468 5.594 1.00 10.00 H new ATOM 0 HZ PHE A 61 3.479 -13.754 3.870 1.00 10.00 H new ATOM 895 N SER A 62 5.377 -19.382 7.859 1.00 10.00 N ATOM 896 CA SER A 62 6.588 -19.930 7.190 1.00 10.00 C ATOM 897 C SER A 62 6.266 -21.276 6.543 1.00 10.00 C ATOM 898 O SER A 62 6.430 -21.464 5.353 1.00 10.00 O ATOM 899 CB SER A 62 7.612 -20.110 8.311 1.00 10.00 C ATOM 900 OG SER A 62 7.260 -21.241 9.095 1.00 10.00 O ATOM 0 H SER A 62 4.785 -20.075 8.317 1.00 10.00 H new ATOM 0 HA SER A 62 6.957 -19.275 6.401 1.00 10.00 H new ATOM 0 HB2 SER A 62 8.609 -20.242 7.890 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.645 -19.217 8.935 1.00 10.00 H new ATOM 0 HG SER A 62 7.916 -21.358 9.813 1.00 10.00 H new ATOM 906 N CYS A 63 5.824 -22.219 7.325 1.00 10.00 N ATOM 907 CA CYS A 63 5.504 -23.563 6.772 1.00 10.00 C ATOM 908 C CYS A 63 4.165 -23.535 6.002 1.00 10.00 C ATOM 909 O CYS A 63 4.046 -24.103 4.935 1.00 10.00 O ATOM 910 CB CYS A 63 5.467 -24.473 8.011 1.00 10.00 C ATOM 911 SG CYS A 63 3.811 -24.517 8.738 1.00 10.00 S ATOM 0 H CYS A 63 5.670 -22.116 8.328 1.00 10.00 H new ATOM 0 HA CYS A 63 6.231 -23.918 6.041 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.773 -25.482 7.734 1.00 10.00 H new ATOM 0 HB3 CYS A 63 6.183 -24.115 8.751 1.00 10.00 H new ATOM 0 HG CYS A 63 3.817 -23.877 9.869 1.00 10.00 H new ATOM 916 N ARG A 64 3.172 -22.856 6.519 1.00 10.00 N ATOM 917 CA ARG A 64 1.857 -22.766 5.799 1.00 10.00 C ATOM 918 C ARG A 64 1.198 -24.145 5.624 1.00 10.00 C ATOM 919 O ARG A 64 0.452 -24.369 4.691 1.00 10.00 O ATOM 920 CB ARG A 64 2.204 -22.167 4.436 1.00 10.00 C ATOM 921 CG ARG A 64 1.154 -21.120 4.058 1.00 10.00 C ATOM 922 CD ARG A 64 1.838 -19.768 3.843 1.00 10.00 C ATOM 923 NE ARG A 64 2.889 -20.031 2.820 1.00 10.00 N ATOM 924 CZ ARG A 64 2.549 -20.348 1.602 1.00 10.00 C ATOM 925 NH1 ARG A 64 2.487 -21.602 1.246 1.00 10.00 N ATOM 926 NH2 ARG A 64 2.267 -19.411 0.738 1.00 10.00 N ATOM 0 H ARG A 64 3.212 -22.359 7.409 1.00 10.00 H new ATOM 0 HA ARG A 64 1.140 -22.165 6.359 1.00 10.00 H new ATOM 0 HB2 ARG A 64 3.193 -21.711 4.468 1.00 10.00 H new ATOM 0 HB3 ARG A 64 2.240 -22.952 3.680 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.632 -21.424 3.151 1.00 10.00 H new ATOM 0 HG3 ARG A 64 0.405 -21.040 4.846 1.00 10.00 H new ATOM 0 HD2 ARG A 64 1.128 -19.016 3.497 1.00 10.00 H new ATOM 0 HD3 ARG A 64 2.273 -19.393 4.769 1.00 10.00 H new ATOM 0 HE ARG A 64 3.875 -19.963 3.073 1.00 10.00 H new ATOM 0 HH11 ARG A 64 2.705 -22.335 1.921 1.00 10.00 H new ATOM 0 HH12 ARG A 64 2.221 -21.849 0.293 1.00 10.00 H new ATOM 0 HH21 ARG A 64 2.313 -18.431 1.016 1.00 10.00 H new ATOM 0 HH22 ARG A 64 2.001 -19.659 -0.215 1.00 10.00 H new ATOM 940 N ALA A 65 1.456 -25.059 6.511 1.00 10.00 N ATOM 941 CA ALA A 65 0.841 -26.412 6.408 1.00 10.00 C ATOM 942 C ALA A 65 0.393 -26.903 7.792 1.00 10.00 C ATOM 943 O ALA A 65 -0.095 -28.008 7.938 1.00 10.00 O ATOM 944 CB ALA A 65 1.950 -27.310 5.855 1.00 10.00 C ATOM 0 H ALA A 65 2.073 -24.928 7.313 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.043 -26.414 5.771 1.00 10.00 H new ATOM 0 HB1 ALA A 65 1.575 -28.328 5.749 1.00 10.00 H new ATOM 0 HB2 ALA A 65 2.268 -26.938 4.881 1.00 10.00 H new ATOM 0 HB3 ALA A 65 2.798 -27.305 6.540 1.00 10.00 H new ATOM 950 N GLY A 66 0.550 -26.096 8.810 1.00 10.00 N ATOM 951 CA GLY A 66 0.128 -26.527 10.177 1.00 10.00 C ATOM 952 C GLY A 66 1.222 -27.391 10.814 1.00 10.00 C ATOM 953 O GLY A 66 0.939 -28.364 11.487 1.00 10.00 O ATOM 0 H GLY A 66 0.951 -25.160 8.754 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.066 -25.653 10.799 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -0.804 -27.090 10.119 1.00 10.00 H new ATOM 957 N ALA A 67 2.468 -27.057 10.604 1.00 10.00 N ATOM 958 CA ALA A 67 3.565 -27.879 11.196 1.00 10.00 C ATOM 959 C ALA A 67 4.565 -27.012 11.978 1.00 10.00 C ATOM 960 O ALA A 67 5.579 -27.498 12.439 1.00 10.00 O ATOM 961 CB ALA A 67 4.252 -28.534 9.998 1.00 10.00 C ATOM 0 H ALA A 67 2.773 -26.256 10.052 1.00 10.00 H new ATOM 0 HA ALA A 67 3.177 -28.607 11.909 1.00 10.00 H new ATOM 0 HB1 ALA A 67 5.074 -29.159 10.347 1.00 10.00 H new ATOM 0 HB2 ALA A 67 3.533 -29.149 9.458 1.00 10.00 H new ATOM 0 HB3 ALA A 67 4.640 -27.762 9.334 1.00 10.00 H new ATOM 967 N CYS A 68 4.300 -25.742 12.142 1.00 10.00 N ATOM 968 CA CYS A 68 5.257 -24.885 12.908 1.00 10.00 C ATOM 969 C CYS A 68 4.495 -23.886 13.797 1.00 10.00 C ATOM 970 O CYS A 68 3.282 -23.888 13.841 1.00 10.00 O ATOM 971 CB CYS A 68 6.124 -24.191 11.841 1.00 10.00 C ATOM 972 SG CYS A 68 5.411 -22.603 11.337 1.00 10.00 S ATOM 0 H CYS A 68 3.473 -25.264 11.784 1.00 10.00 H new ATOM 0 HA CYS A 68 5.881 -25.460 13.592 1.00 10.00 H new ATOM 0 HB2 CYS A 68 7.128 -24.032 12.234 1.00 10.00 H new ATOM 0 HB3 CYS A 68 6.221 -24.840 10.971 1.00 10.00 H new ATOM 0 HG CYS A 68 6.347 -21.702 11.292 1.00 10.00 H new ATOM 977 N ALA A 69 5.195 -23.051 14.523 1.00 10.00 N ATOM 978 CA ALA A 69 4.496 -22.080 15.423 1.00 10.00 C ATOM 979 C ALA A 69 4.790 -20.631 15.014 1.00 10.00 C ATOM 980 O ALA A 69 4.457 -19.701 15.722 1.00 10.00 O ATOM 981 CB ALA A 69 5.060 -22.363 16.815 1.00 25.00 C ATOM 0 H ALA A 69 6.214 -22.998 14.533 1.00 10.00 H new ATOM 0 HA ALA A 69 3.413 -22.197 15.378 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.598 -21.691 17.538 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.846 -23.396 17.091 1.00 25.00 H new ATOM 0 HB3 ALA A 69 6.138 -22.205 16.810 1.00 25.00 H new ATOM 987 N ASN A 70 5.407 -20.428 13.886 1.00 10.00 N ATOM 988 CA ASN A 70 5.717 -19.037 13.445 1.00 10.00 C ATOM 989 C ASN A 70 4.432 -18.207 13.356 1.00 10.00 C ATOM 990 O ASN A 70 4.431 -17.021 13.617 1.00 10.00 O ATOM 991 CB ASN A 70 6.352 -19.197 12.063 1.00 50.00 C ATOM 992 CG ASN A 70 7.677 -19.947 12.197 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.708 -21.161 12.170 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.782 -19.269 12.342 1.00 50.00 N ATOM 0 H ASN A 70 5.711 -21.164 13.248 1.00 10.00 H new ATOM 0 HA ASN A 70 6.377 -18.519 14.141 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.678 -19.742 11.402 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.519 -18.219 11.612 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.672 -19.758 12.433 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.756 -18.250 12.365 1.00 50.00 H new ATOM 1001 N CYS A 71 3.339 -18.820 12.991 1.00 10.00 N ATOM 1002 CA CYS A 71 2.057 -18.063 12.887 1.00 10.00 C ATOM 1003 C CYS A 71 1.199 -18.299 14.140 1.00 10.00 C ATOM 1004 O CYS A 71 0.078 -17.841 14.234 1.00 10.00 O ATOM 1005 CB CYS A 71 1.371 -18.626 11.632 1.00 10.00 C ATOM 1006 SG CYS A 71 0.571 -20.206 12.017 1.00 10.00 S ATOM 0 H CYS A 71 3.277 -19.812 12.760 1.00 10.00 H new ATOM 0 HA CYS A 71 2.210 -16.986 12.815 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.632 -17.916 11.262 1.00 10.00 H new ATOM 0 HB3 CYS A 71 2.105 -18.765 10.838 1.00 10.00 H new ATOM 0 HG CYS A 71 0.242 -20.806 10.912 1.00 10.00 H new ATOM 1011 N ALA A 72 1.719 -19.024 15.091 1.00 10.00 N ATOM 1012 CA ALA A 72 0.944 -19.315 16.333 1.00 10.00 C ATOM 1013 C ALA A 72 0.238 -18.058 16.857 1.00 10.00 C ATOM 1014 O ALA A 72 0.665 -16.943 16.624 1.00 10.00 O ATOM 1015 CB ALA A 72 1.987 -19.800 17.339 1.00 10.00 C ATOM 0 H ALA A 72 2.654 -19.431 15.062 1.00 10.00 H new ATOM 0 HA ALA A 72 0.160 -20.052 16.156 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.498 -20.037 18.284 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.479 -20.692 16.952 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.729 -19.018 17.500 1.00 10.00 H new ATOM 1021 N SER A 73 -0.842 -18.241 17.571 1.00 10.00 N ATOM 1022 CA SER A 73 -1.595 -17.080 18.131 1.00 10.00 C ATOM 1023 C SER A 73 -1.934 -17.342 19.600 1.00 10.00 C ATOM 1024 O SER A 73 -1.362 -18.207 20.232 1.00 10.00 O ATOM 1025 CB SER A 73 -2.872 -17.001 17.294 1.00 50.00 C ATOM 1026 OG SER A 73 -3.805 -17.964 17.763 1.00 50.00 O ATOM 0 H SER A 73 -1.238 -19.155 17.792 1.00 10.00 H new ATOM 0 HA SER A 73 -1.024 -16.152 18.092 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.301 -16.001 17.359 1.00 50.00 H new ATOM 0 HB3 SER A 73 -2.643 -17.182 16.244 1.00 50.00 H new ATOM 0 HG SER A 73 -3.902 -18.677 17.097 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.859 -16.606 20.145 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.246 -16.816 21.571 1.00 10.00 C ATOM 1034 C ILE A 74 -4.735 -16.501 21.754 1.00 10.00 C ATOM 1035 O ILE A 74 -5.098 -15.479 22.299 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.389 -15.839 22.381 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.906 -16.197 22.232 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.782 -15.922 23.858 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.633 -17.552 22.889 1.00 10.00 C ATOM 0 H ILE A 74 -3.368 -15.864 19.664 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.087 -17.845 21.892 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.554 -14.827 22.011 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.635 -16.233 21.177 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.288 -15.427 22.694 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.173 -15.227 24.436 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.835 -15.662 23.970 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.619 -16.937 24.221 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.422 -17.803 22.781 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -0.887 -17.501 23.948 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.239 -18.319 22.407 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.598 -17.371 21.295 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.064 -17.117 21.438 1.00 10.00 C ATOM 1053 C VAL A 75 -7.371 -16.551 22.827 1.00 10.00 C ATOM 1054 O VAL A 75 -7.074 -17.159 23.836 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.732 -18.481 21.244 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.034 -19.524 22.118 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.208 -18.390 21.640 1.00 50.00 C ATOM 0 H VAL A 75 -5.352 -18.244 20.829 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.427 -16.387 20.715 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.654 -18.775 20.197 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.511 -20.494 21.978 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -5.984 -19.592 21.835 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.109 -19.230 23.165 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.682 -19.361 21.501 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.286 -18.094 22.686 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.707 -17.650 21.015 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.963 -15.387 22.886 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.290 -14.783 24.208 1.00 10.00 C ATOM 1069 C LYS A 76 -9.668 -15.255 24.671 1.00 10.00 C ATOM 1070 O LYS A 76 -10.021 -15.137 25.829 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.293 -13.274 23.962 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.188 -12.538 25.299 1.00 25.00 C ATOM 1073 CD LYS A 76 -9.556 -11.965 25.674 1.00 50.00 C ATOM 1074 CE LYS A 76 -9.404 -11.022 26.870 1.00 50.00 C ATOM 1075 NZ LYS A 76 -10.795 -10.771 27.344 1.00 50.00 N ATOM 0 H LYS A 76 -8.233 -14.830 22.075 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.578 -15.067 24.983 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.459 -12.998 23.317 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.207 -12.981 23.444 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -7.842 -13.220 26.076 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.453 -11.736 25.228 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -9.982 -11.429 24.826 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -10.246 -12.773 25.919 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -8.796 -11.474 27.654 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -8.912 -10.093 26.580 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -10.772 -10.131 28.164 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -11.349 -10.334 26.580 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -11.236 -11.672 27.620 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.450 -15.792 23.775 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.807 -16.274 24.161 1.00 10.00 C ATOM 1091 C GLU A 77 -12.549 -16.801 22.931 1.00 10.00 C ATOM 1092 O GLU A 77 -12.581 -16.168 21.894 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.518 -15.047 24.733 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.350 -15.463 25.950 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.835 -15.434 25.585 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.212 -16.132 24.659 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.571 -14.713 26.240 1.00 25.00 O ATOM 0 H GLU A 77 -10.208 -15.918 22.792 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.765 -17.091 24.881 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.788 -14.290 25.019 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.161 -14.599 23.975 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.064 -16.463 26.275 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.156 -14.789 26.784 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.143 -17.957 23.038 1.00 10.00 N ATOM 1105 CA GLY A 78 -13.880 -18.526 21.875 1.00 10.00 C ATOM 1106 C GLY A 78 -13.299 -19.900 21.533 1.00 10.00 C ATOM 1107 O GLY A 78 -12.367 -20.362 22.159 1.00 10.00 O ATOM 0 H GLY A 78 -13.150 -18.532 23.880 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -14.941 -18.615 22.110 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -13.798 -17.860 21.016 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.841 -20.555 20.544 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.314 -21.898 20.165 1.00 10.00 C ATOM 1113 C GLU A 79 -12.889 -21.904 18.694 1.00 10.00 C ATOM 1114 O GLU A 79 -13.555 -21.353 17.840 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.481 -22.860 20.394 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.114 -24.248 19.864 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.624 -25.123 21.020 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -14.455 -25.568 21.793 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -12.425 -25.332 21.111 1.00 50.00 O ATOM 0 H GLU A 79 -14.624 -20.220 19.983 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.436 -22.178 20.748 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.716 -22.916 21.457 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.374 -22.491 19.889 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.980 -24.708 19.388 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.338 -24.165 19.103 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.779 -22.520 18.394 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.305 -22.559 16.981 1.00 10.00 C ATOM 1128 C ILE A 80 -11.273 -24.001 16.471 1.00 10.00 C ATOM 1129 O ILE A 80 -10.750 -24.888 17.118 1.00 10.00 O ATOM 1130 CB ILE A 80 -9.894 -21.973 17.025 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -9.976 -20.469 17.302 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.199 -22.208 15.683 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.688 -20.006 17.986 1.00 50.00 C ATOM 0 H ILE A 80 -11.179 -22.998 19.066 1.00 10.00 H new ATOM 0 HA ILE A 80 -11.959 -22.002 16.309 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.324 -22.459 17.817 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.121 -19.924 16.369 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.836 -20.251 17.936 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.193 -21.790 15.716 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.140 -23.278 15.486 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -9.768 -21.724 14.889 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.745 -18.936 18.184 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.562 -20.542 18.927 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -7.837 -20.210 17.336 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.829 -24.244 15.315 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.831 -25.629 14.764 1.00 10.00 C ATOM 1147 C ASP A 81 -10.489 -25.937 14.095 1.00 10.00 C ATOM 1148 O ASP A 81 -10.009 -25.186 13.269 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.960 -25.642 13.733 1.00 10.00 C ATOM 1150 CG ASP A 81 -14.056 -26.609 14.187 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.763 -27.459 15.012 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -15.169 -26.481 13.704 1.00 10.00 O ATOM 0 H ASP A 81 -12.282 -23.543 14.728 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.977 -26.381 15.539 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.371 -24.639 13.616 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.574 -25.944 12.759 1.00 10.00 H new ATOM 1157 N MET A 82 -9.880 -27.036 14.446 1.00 12.50 N ATOM 1158 CA MET A 82 -8.569 -27.395 13.831 1.00 12.50 C ATOM 1159 C MET A 82 -8.698 -28.705 13.048 1.00 12.50 C ATOM 1160 O MET A 82 -9.548 -29.525 13.327 1.00 12.50 O ATOM 1161 CB MET A 82 -7.614 -27.567 15.012 1.00 12.50 C ATOM 1162 CG MET A 82 -6.168 -27.476 14.519 1.00 12.50 C ATOM 1163 SD MET A 82 -5.305 -26.163 15.416 1.00 12.50 S ATOM 1164 CE MET A 82 -3.995 -27.193 16.124 1.00 50.00 C ATOM 0 H MET A 82 -10.233 -27.702 15.133 1.00 12.50 H new ATOM 0 HA MET A 82 -8.217 -26.638 13.130 1.00 12.50 H new ATOM 0 HB2 MET A 82 -7.803 -26.798 15.761 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.785 -28.530 15.494 1.00 12.50 H new ATOM 0 HG2 MET A 82 -5.660 -28.429 14.671 1.00 12.50 H new ATOM 0 HG3 MET A 82 -6.150 -27.272 13.448 1.00 12.50 H new ATOM 0 HE1 MET A 82 -3.273 -26.560 16.640 1.00 50.00 H new ATOM 0 HE2 MET A 82 -4.430 -27.899 16.832 1.00 50.00 H new ATOM 0 HE3 MET A 82 -3.492 -27.741 15.327 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.858 -28.906 12.068 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.933 -30.163 11.269 1.00 50.00 C ATOM 1176 C ASP A 83 -6.873 -31.158 11.748 1.00 50.00 C ATOM 1177 O ASP A 83 -6.217 -30.946 12.749 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.655 -29.734 9.828 1.00 50.00 C ATOM 1179 CG ASP A 83 -8.729 -28.741 9.375 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -9.791 -28.734 9.976 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -8.470 -28.006 8.437 1.00 50.00 O ATOM 0 H ASP A 83 -7.125 -28.255 11.787 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.899 -30.658 11.367 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.668 -29.276 9.757 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -7.650 -30.605 9.172 1.00 50.00 H new ATOM 1186 N MET A 84 -6.701 -32.242 11.043 1.00 50.00 N ATOM 1187 CA MET A 84 -5.683 -33.249 11.461 1.00 50.00 C ATOM 1188 C MET A 84 -4.319 -32.578 11.640 1.00 50.00 C ATOM 1189 O MET A 84 -3.833 -31.892 10.763 1.00 50.00 O ATOM 1190 CB MET A 84 -5.636 -34.264 10.319 1.00 50.00 C ATOM 1191 CG MET A 84 -5.746 -35.678 10.892 1.00 50.00 C ATOM 1192 SD MET A 84 -7.067 -36.574 10.037 1.00 50.00 S ATOM 1193 CE MET A 84 -6.325 -36.551 8.387 1.00 50.00 C ATOM 0 H MET A 84 -7.220 -32.475 10.196 1.00 50.00 H new ATOM 0 HA MET A 84 -5.933 -33.719 12.412 1.00 50.00 H new ATOM 0 HB2 MET A 84 -6.451 -34.079 9.619 1.00 50.00 H new ATOM 0 HB3 MET A 84 -4.706 -34.157 9.761 1.00 50.00 H new ATOM 0 HG2 MET A 84 -4.799 -36.205 10.774 1.00 50.00 H new ATOM 0 HG3 MET A 84 -5.955 -35.634 11.961 1.00 50.00 H new ATOM 0 HE1 MET A 84 -6.709 -37.388 7.804 1.00 50.00 H new ATOM 0 HE2 MET A 84 -6.577 -35.615 7.888 1.00 50.00 H new ATOM 0 HE3 MET A 84 -5.242 -36.636 8.474 1.00 50.00 H new ATOM 1203 N GLN A 85 -3.697 -32.772 12.771 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.364 -32.145 13.007 1.00 16.66 C ATOM 1205 C GLN A 85 -1.713 -32.735 14.262 1.00 16.66 C ATOM 1206 O GLN A 85 -2.381 -33.253 15.136 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.650 -30.653 13.198 1.00 16.66 C ATOM 1208 CG GLN A 85 -3.769 -30.465 14.228 1.00 16.66 C ATOM 1209 CD GLN A 85 -3.157 -30.207 15.606 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.219 -29.445 15.734 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -3.654 -30.813 16.650 1.00 16.66 N ATOM 0 H GLN A 85 -4.053 -33.337 13.542 1.00 16.66 H new ATOM 0 HA GLN A 85 -1.675 -32.323 12.181 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -1.747 -30.140 13.531 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.939 -30.205 12.248 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -4.407 -29.629 13.939 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -4.401 -31.352 14.260 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -4.441 -31.452 16.542 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -3.255 -30.647 17.574 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.413 -32.661 14.357 1.00 16.66 N ATOM 1221 CA GLN A 86 0.283 -33.218 15.553 1.00 16.66 C ATOM 1222 C GLN A 86 1.211 -32.165 16.166 1.00 16.66 C ATOM 1223 O GLN A 86 1.835 -32.391 17.185 1.00 16.66 O ATOM 1224 CB GLN A 86 1.099 -34.398 15.021 1.00 16.66 C ATOM 1225 CG GLN A 86 0.239 -35.663 15.029 1.00 16.66 C ATOM 1226 CD GLN A 86 0.913 -36.740 14.176 1.00 50.00 C ATOM 1227 OE1 GLN A 86 1.056 -37.869 14.602 1.00 50.00 O ATOM 1228 NE2 GLN A 86 1.338 -36.435 12.979 1.00 50.00 N ATOM 0 H GLN A 86 0.198 -32.239 13.658 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.417 -33.519 16.332 1.00 16.66 H new ATOM 0 HB2 GLN A 86 1.444 -34.187 14.009 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.987 -34.546 15.636 1.00 16.66 H new ATOM 0 HG2 GLN A 86 0.108 -36.021 16.050 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.755 -35.443 14.639 1.00 16.66 H new ATOM 0 HE21 GLN A 86 1.218 -35.487 12.621 1.00 50.00 H new ATOM 0 HE22 GLN A 86 1.790 -37.145 12.402 1.00 50.00 H new ATOM 1237 N ILE A 87 1.312 -31.018 15.552 1.00 12.50 N ATOM 1238 CA ILE A 87 2.205 -29.954 16.097 1.00 12.50 C ATOM 1239 C ILE A 87 1.548 -29.263 17.296 1.00 12.50 C ATOM 1240 O ILE A 87 2.213 -28.678 18.127 1.00 12.50 O ATOM 1241 CB ILE A 87 2.393 -28.966 14.946 1.00 50.00 C ATOM 1242 CG1 ILE A 87 3.436 -27.917 15.337 1.00 50.00 C ATOM 1243 CG2 ILE A 87 1.062 -28.273 14.650 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.771 -28.606 15.622 1.00 50.00 C ATOM 0 H ILE A 87 0.815 -30.771 14.696 1.00 12.50 H new ATOM 0 HA ILE A 87 3.154 -30.358 16.449 1.00 12.50 H new ATOM 0 HB ILE A 87 2.732 -29.502 14.059 1.00 50.00 H new ATOM 0 HG12 ILE A 87 3.554 -27.190 14.534 1.00 50.00 H new ATOM 0 HG13 ILE A 87 3.103 -27.368 16.218 1.00 50.00 H new ATOM 0 HG21 ILE A 87 1.194 -27.568 13.829 1.00 50.00 H new ATOM 0 HG22 ILE A 87 0.317 -29.019 14.372 1.00 50.00 H new ATOM 0 HG23 ILE A 87 0.725 -27.738 15.538 1.00 50.00 H new ATOM 0 HD11 ILE A 87 5.514 -27.859 15.901 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.647 -29.316 16.439 1.00 50.00 H new ATOM 0 HD13 ILE A 87 5.105 -29.135 14.729 1.00 50.00 H new ATOM 1256 N LEU A 88 0.247 -29.320 17.392 1.00 12.50 N ATOM 1257 CA LEU A 88 -0.441 -28.658 18.538 1.00 12.50 C ATOM 1258 C LEU A 88 -1.320 -29.659 19.295 1.00 12.50 C ATOM 1259 O LEU A 88 -1.515 -30.778 18.866 1.00 12.50 O ATOM 1260 CB LEU A 88 -1.301 -27.565 17.905 1.00 12.50 C ATOM 1261 CG LEU A 88 -1.612 -26.492 18.951 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -1.070 -25.143 18.473 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -3.125 -26.394 19.147 1.00 12.50 C ATOM 0 H LEU A 88 -0.367 -29.794 16.730 1.00 12.50 H new ATOM 0 HA LEU A 88 0.269 -28.257 19.262 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.779 -27.121 17.057 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -2.227 -27.993 17.520 1.00 12.50 H new ATOM 0 HG LEU A 88 -1.141 -26.759 19.897 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -1.291 -24.378 19.217 1.00 12.50 H new ATOM 0 HD12 LEU A 88 0.009 -25.213 18.334 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -1.541 -24.876 17.527 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -3.347 -25.630 19.892 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -3.598 -26.127 18.202 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -3.511 -27.355 19.487 1.00 12.50 H new ATOM 1275 N SER A 89 -1.850 -29.257 20.418 1.00 12.50 N ATOM 1276 CA SER A 89 -2.720 -30.176 21.209 1.00 12.50 C ATOM 1277 C SER A 89 -3.828 -29.379 21.904 1.00 12.50 C ATOM 1278 O SER A 89 -3.676 -28.208 22.188 1.00 12.50 O ATOM 1279 CB SER A 89 -1.788 -30.809 22.245 1.00 12.50 C ATOM 1280 OG SER A 89 -1.734 -32.212 22.036 1.00 12.50 O ATOM 0 H SER A 89 -1.718 -28.330 20.823 1.00 12.50 H new ATOM 0 HA SER A 89 -3.206 -30.926 20.585 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.790 -30.379 22.163 1.00 12.50 H new ATOM 0 HB3 SER A 89 -2.146 -30.594 23.252 1.00 12.50 H new ATOM 0 HG SER A 89 -1.136 -32.619 22.698 1.00 12.50 H new ATOM 1286 N ASP A 90 -4.941 -30.003 22.177 1.00 10.00 N ATOM 1287 CA ASP A 90 -6.054 -29.275 22.850 1.00 10.00 C ATOM 1288 C ASP A 90 -5.538 -28.546 24.093 1.00 10.00 C ATOM 1289 O ASP A 90 -5.916 -27.426 24.371 1.00 10.00 O ATOM 1290 CB ASP A 90 -7.060 -30.357 23.240 1.00 10.00 C ATOM 1291 CG ASP A 90 -8.434 -29.719 23.466 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -8.680 -28.673 22.889 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -9.214 -30.288 24.212 1.00 10.00 O ATOM 0 H ASP A 90 -5.128 -30.983 21.964 1.00 10.00 H new ATOM 0 HA ASP A 90 -6.500 -28.519 22.204 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -7.122 -31.111 22.455 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -6.730 -30.866 24.146 1.00 10.00 H new ATOM 1298 N GLU A 91 -4.674 -29.173 24.841 1.00 12.50 N ATOM 1299 CA GLU A 91 -4.132 -28.513 26.064 1.00 12.50 C ATOM 1300 C GLU A 91 -3.439 -27.201 25.692 1.00 12.50 C ATOM 1301 O GLU A 91 -3.338 -26.292 26.491 1.00 12.50 O ATOM 1302 CB GLU A 91 -3.122 -29.506 26.641 1.00 12.50 C ATOM 1303 CG GLU A 91 -3.168 -29.448 28.169 1.00 12.50 C ATOM 1304 CD GLU A 91 -3.427 -30.848 28.727 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -2.504 -31.646 28.723 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -4.543 -31.099 29.150 1.00 50.00 O ATOM 0 H GLU A 91 -4.319 -30.112 24.660 1.00 12.50 H new ATOM 0 HA GLU A 91 -4.916 -28.268 26.781 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -3.350 -30.515 26.297 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -2.119 -29.268 26.287 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.226 -29.059 28.557 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -3.953 -28.765 28.494 1.00 12.50 H new ATOM 1313 N GLU A 92 -2.961 -27.096 24.482 1.00 10.00 N ATOM 1314 CA GLU A 92 -2.275 -25.842 24.060 1.00 10.00 C ATOM 1315 C GLU A 92 -3.304 -24.742 23.784 1.00 10.00 C ATOM 1316 O GLU A 92 -3.054 -23.575 24.015 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.529 -26.212 22.777 1.00 50.00 C ATOM 1318 CG GLU A 92 -0.449 -27.248 23.098 1.00 50.00 C ATOM 1319 CD GLU A 92 0.755 -26.550 23.733 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.165 -25.527 23.210 1.00 50.00 O ATOM 1321 OE2 GLU A 92 1.246 -27.050 24.732 1.00 50.00 O ATOM 0 H GLU A 92 -3.016 -27.823 23.769 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.602 -25.461 24.828 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.226 -26.613 22.041 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.077 -25.323 22.337 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -0.845 -28.003 23.777 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -0.145 -27.766 22.188 1.00 50.00 H new ATOM 1328 N VAL A 93 -4.459 -25.101 23.294 1.00 10.00 N ATOM 1329 CA VAL A 93 -5.497 -24.070 23.009 1.00 10.00 C ATOM 1330 C VAL A 93 -6.204 -23.666 24.306 1.00 10.00 C ATOM 1331 O VAL A 93 -6.834 -22.630 24.385 1.00 10.00 O ATOM 1332 CB VAL A 93 -6.472 -24.741 22.036 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -7.379 -25.716 22.795 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -7.329 -23.671 21.356 1.00 10.00 C ATOM 0 H VAL A 93 -4.728 -26.061 23.079 1.00 10.00 H new ATOM 0 HA VAL A 93 -5.074 -23.159 22.585 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.907 -25.291 21.284 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -8.069 -26.189 22.097 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -6.769 -26.480 23.277 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -7.944 -25.173 23.552 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -8.023 -24.147 20.663 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -7.890 -23.120 22.111 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -6.685 -22.983 20.809 1.00 10.00 H new ATOM 1344 N GLU A 94 -6.100 -24.476 25.324 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.759 -24.137 26.618 1.00 12.50 C ATOM 1346 C GLU A 94 -5.725 -23.591 27.605 1.00 12.50 C ATOM 1347 O GLU A 94 -5.956 -22.609 28.284 1.00 12.50 O ATOM 1348 CB GLU A 94 -7.342 -25.456 27.127 1.00 12.50 C ATOM 1349 CG GLU A 94 -8.251 -25.182 28.327 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.726 -26.510 28.921 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -8.791 -27.478 28.181 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.017 -26.535 30.105 1.00 12.50 O ATOM 0 H GLU A 94 -5.587 -25.358 25.316 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.527 -23.372 26.503 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -7.906 -25.947 26.334 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -6.539 -26.135 27.413 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -7.713 -24.606 29.080 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -9.107 -24.582 28.019 1.00 12.50 H new ATOM 1359 N GLU A 95 -4.582 -24.217 27.686 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.530 -23.734 28.625 1.00 12.50 C ATOM 1361 C GLU A 95 -2.672 -22.660 27.950 1.00 12.50 C ATOM 1362 O GLU A 95 -2.214 -21.729 28.582 1.00 12.50 O ATOM 1363 CB GLU A 95 -2.688 -24.969 28.946 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.507 -25.084 30.461 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.315 -24.230 30.898 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -0.194 -24.689 30.743 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.542 -23.134 31.381 1.00 50.00 O ATOM 0 H GLU A 95 -4.331 -25.043 27.142 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.953 -23.285 29.523 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -3.174 -25.864 28.558 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.716 -24.897 28.457 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -3.411 -24.754 30.972 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.344 -26.125 30.741 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.451 -22.783 26.668 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.622 -21.769 25.954 1.00 25.00 C ATOM 1376 C LYS A 96 -2.488 -20.961 24.980 1.00 25.00 C ATOM 1377 O LYS A 96 -2.042 -19.991 24.399 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.573 -22.581 25.194 1.00 25.00 C ATOM 1379 CG LYS A 96 0.807 -22.335 25.808 1.00 25.00 C ATOM 1380 CD LYS A 96 1.892 -22.725 24.801 1.00 25.00 C ATOM 1381 CE LYS A 96 3.270 -22.545 25.441 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.996 -23.813 25.148 1.00 25.00 N ATOM 0 H LYS A 96 -2.808 -23.540 26.086 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.167 -21.053 26.638 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.818 -23.642 25.237 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.570 -22.297 24.142 1.00 25.00 H new ATOM 0 HG2 LYS A 96 0.912 -21.286 26.083 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.919 -22.917 26.723 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.757 -23.760 24.488 1.00 25.00 H new ATOM 0 HD3 LYS A 96 1.811 -22.108 23.906 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.792 -21.685 25.021 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.188 -22.375 26.515 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 4.952 -23.768 25.555 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.479 -24.613 25.565 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.064 -23.944 24.119 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.721 -21.351 24.796 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.607 -20.601 23.857 1.00 10.00 C ATOM 1398 C ASP A 97 -3.909 -20.409 22.513 1.00 10.00 C ATOM 1399 O ASP A 97 -4.245 -19.525 21.750 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.834 -19.241 24.521 1.00 50.00 C ATOM 1401 CG ASP A 97 -6.199 -19.229 25.213 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -7.052 -20.002 24.808 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -6.369 -18.445 26.132 1.00 50.00 O ATOM 0 H ASP A 97 -4.153 -22.154 25.253 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.541 -21.131 23.668 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.045 -19.043 25.247 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.786 -18.448 23.775 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.931 -21.216 22.217 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.211 -21.050 20.925 1.00 10.00 C ATOM 1410 C VAL A 98 -2.804 -21.952 19.844 1.00 10.00 C ATOM 1411 O VAL A 98 -3.444 -22.947 20.123 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.763 -21.445 21.222 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.692 -22.945 21.513 1.00 50.00 C ATOM 1414 CG2 VAL A 98 0.113 -21.118 20.011 1.00 50.00 C ATOM 0 H VAL A 98 -2.600 -21.978 22.809 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.290 -20.030 20.548 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.406 -20.890 22.090 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.340 -23.226 21.725 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -1.316 -23.178 22.376 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.049 -23.501 20.646 1.00 50.00 H new ATOM 0 HG21 VAL A 98 1.145 -21.399 20.222 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.244 -21.673 19.143 1.00 50.00 H new ATOM 0 HG23 VAL A 98 0.063 -20.049 19.804 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.591 -21.601 18.607 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.129 -22.417 17.485 1.00 10.00 C ATOM 1426 C ARG A 99 -2.450 -21.997 16.179 1.00 10.00 C ATOM 1427 O ARG A 99 -1.622 -21.107 16.160 1.00 10.00 O ATOM 1428 CB ARG A 99 -4.624 -22.098 17.444 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.409 -23.372 17.130 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.358 -23.684 18.289 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.223 -24.790 17.787 1.00 50.00 N ATOM 1432 CZ ARG A 99 -7.661 -25.702 18.611 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -8.918 -25.718 18.960 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -6.841 -26.600 19.086 1.00 50.00 N ATOM 0 H ARG A 99 -2.062 -20.776 18.323 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.950 -23.484 17.615 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -4.945 -21.687 18.401 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -4.824 -21.339 16.688 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.974 -23.245 16.207 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -4.724 -24.205 16.973 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -5.808 -23.986 19.180 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.951 -22.811 18.561 1.00 50.00 H new ATOM 0 HE ARG A 99 -7.472 -24.834 16.799 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -9.559 -25.017 18.589 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.259 -26.431 19.604 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -5.858 -26.589 18.813 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -7.183 -27.313 19.730 1.00 50.00 H new ATOM 1448 N LEU A 100 -2.786 -22.625 15.089 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.150 -22.251 13.794 1.00 10.00 C ATOM 1450 C LEU A 100 -3.068 -21.318 13.000 1.00 10.00 C ATOM 1451 O LEU A 100 -4.080 -21.733 12.470 1.00 10.00 O ATOM 1452 CB LEU A 100 -1.952 -23.574 13.053 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.126 -24.528 13.920 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -0.655 -25.710 13.069 1.00 10.00 C ATOM 1455 CD2 LEU A 100 0.090 -23.790 14.483 1.00 10.00 C ATOM 0 H LEU A 100 -3.471 -23.379 15.037 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.209 -21.719 13.935 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -2.919 -24.021 12.821 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -1.446 -23.399 12.103 1.00 10.00 H new ATOM 0 HG LEU A 100 -1.741 -24.892 14.743 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.067 -26.390 13.685 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -1.521 -26.239 12.670 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.042 -25.344 12.245 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.676 -24.472 15.100 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.706 -23.424 13.662 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.244 -22.948 15.090 1.00 10.00 H new ATOM 1467 N THR A 101 -2.722 -20.062 12.912 1.00 10.00 N ATOM 1468 CA THR A 101 -3.577 -19.109 12.148 1.00 10.00 C ATOM 1469 C THR A 101 -3.643 -19.528 10.679 1.00 10.00 C ATOM 1470 O THR A 101 -4.629 -19.308 10.003 1.00 10.00 O ATOM 1471 CB THR A 101 -2.885 -17.751 12.290 1.00 10.00 C ATOM 1472 OG1 THR A 101 -1.491 -17.948 12.477 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.464 -17.005 13.493 1.00 10.00 C ATOM 0 H THR A 101 -1.887 -19.656 13.335 1.00 10.00 H new ATOM 0 HA THR A 101 -4.602 -19.082 12.519 1.00 10.00 H new ATOM 0 HB THR A 101 -3.050 -17.163 11.387 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.207 -17.508 13.305 1.00 10.00 H new ATOM 0 HG21 THR A 101 -2.971 -16.038 13.593 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.533 -16.853 13.347 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.301 -17.591 14.397 1.00 10.00 H new ATOM 1481 N CYS A 102 -2.601 -20.138 10.181 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.605 -20.580 8.758 1.00 10.00 C ATOM 1483 C CYS A 102 -3.431 -21.861 8.613 1.00 10.00 C ATOM 1484 O CYS A 102 -3.841 -22.229 7.530 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.135 -20.839 8.417 1.00 10.00 C ATOM 1486 SG CYS A 102 -0.547 -22.298 9.314 1.00 10.00 S ATOM 0 H CYS A 102 -1.748 -20.349 10.699 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.047 -19.839 8.092 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.022 -20.990 7.343 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.532 -19.970 8.681 1.00 10.00 H new ATOM 0 HG CYS A 102 0.701 -22.515 9.020 1.00 10.00 H new ATOM 1491 N ILE A 103 -3.681 -22.540 9.701 1.00 10.00 N ATOM 1492 CA ILE A 103 -4.485 -23.796 9.636 1.00 10.00 C ATOM 1493 C ILE A 103 -5.534 -23.804 10.747 1.00 10.00 C ATOM 1494 O ILE A 103 -5.902 -24.842 11.259 1.00 10.00 O ATOM 1495 CB ILE A 103 -3.479 -24.924 9.851 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -2.498 -24.958 8.680 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -4.220 -26.261 9.944 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.175 -25.573 7.452 1.00 50.00 C ATOM 0 H ILE A 103 -3.362 -22.279 10.634 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.016 -23.897 8.689 1.00 10.00 H new ATOM 0 HB ILE A 103 -2.931 -24.753 10.777 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.157 -23.949 8.451 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -1.616 -25.539 8.949 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -3.501 -27.066 10.097 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -4.917 -26.233 10.781 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -4.770 -26.437 9.020 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -2.470 -25.594 6.621 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -3.494 -26.589 7.683 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -4.043 -24.974 7.177 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.013 -22.656 11.131 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.031 -22.609 12.214 1.00 10.00 C ATOM 1512 C GLY A 104 -8.324 -21.994 11.677 1.00 10.00 C ATOM 1513 O GLY A 104 -8.307 -21.082 10.873 1.00 10.00 O ATOM 0 H GLY A 104 -5.745 -21.751 10.744 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.223 -23.614 12.590 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -6.658 -22.021 13.052 1.00 10.00 H new ATOM 1517 N SER A 105 -9.449 -22.490 12.116 1.00 10.00 N ATOM 1518 CA SER A 105 -10.746 -21.937 11.634 1.00 10.00 C ATOM 1519 C SER A 105 -11.652 -21.603 12.824 1.00 10.00 C ATOM 1520 O SER A 105 -11.860 -22.426 13.693 1.00 10.00 O ATOM 1521 CB SER A 105 -11.361 -23.056 10.792 1.00 10.00 C ATOM 1522 OG SER A 105 -11.573 -24.198 11.608 1.00 10.00 O ATOM 0 H SER A 105 -9.526 -23.254 12.787 1.00 10.00 H new ATOM 0 HA SER A 105 -10.618 -21.017 11.063 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.305 -22.724 10.360 1.00 10.00 H new ATOM 0 HB3 SER A 105 -10.701 -23.306 9.962 1.00 10.00 H new ATOM 0 HG SER A 105 -10.709 -24.581 11.865 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.163 -20.402 12.820 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.060 -19.952 13.914 1.00 10.00 C ATOM 1530 C PRO A 106 -14.414 -20.658 13.812 1.00 10.00 C ATOM 1531 O PRO A 106 -15.106 -20.551 12.817 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.204 -18.453 13.665 1.00 10.00 C ATOM 1533 CG PRO A 106 -12.933 -18.278 12.205 1.00 10.00 C ATOM 1534 CD PRO A 106 -11.960 -19.358 11.808 1.00 10.00 C ATOM 0 HA PRO A 106 -12.674 -20.176 14.909 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.203 -18.103 13.926 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.498 -17.883 14.269 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -13.855 -18.358 11.629 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -12.517 -17.291 12.005 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.163 -19.730 10.804 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -10.933 -18.992 11.811 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.798 -21.382 14.828 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.107 -22.096 14.780 1.00 10.00 C ATOM 1544 C ALA A 107 -17.148 -21.361 15.625 1.00 10.00 C ATOM 1545 O ALA A 107 -18.326 -21.374 15.326 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.825 -23.480 15.363 1.00 50.00 C ATOM 0 H ALA A 107 -14.264 -21.510 15.687 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.506 -22.152 13.767 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.742 -24.069 15.362 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.071 -23.983 14.758 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.461 -23.377 16.385 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.726 -20.722 16.679 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.693 -19.989 17.544 1.00 10.00 C ATOM 1554 C ALA A 108 -18.030 -18.627 16.932 1.00 10.00 C ATOM 1555 O ALA A 108 -17.224 -18.024 16.251 1.00 10.00 O ATOM 1556 CB ALA A 108 -16.973 -19.809 18.880 1.00 50.00 C ATOM 0 H ALA A 108 -15.753 -20.675 16.980 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.634 -20.528 17.655 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.622 -19.275 19.574 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.724 -20.786 19.294 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.058 -19.237 18.726 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.216 -18.137 17.173 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.604 -16.813 16.610 1.00 50.00 C ATOM 1564 C ASP A 109 -18.619 -15.738 17.077 1.00 50.00 C ATOM 1565 O ASP A 109 -17.751 -15.316 16.339 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.002 -16.541 17.169 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.977 -16.301 16.014 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -22.077 -17.165 15.160 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.606 -15.255 16.006 1.00 50.00 O ATOM 0 H ASP A 109 -19.932 -18.596 17.735 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.594 -16.804 15.520 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.335 -17.387 17.770 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.979 -15.672 17.826 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.741 -15.300 18.300 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.808 -14.259 18.817 1.00 10.00 C ATOM 1576 C GLU A 110 -16.540 -14.924 19.359 1.00 10.00 C ATOM 1577 O GLU A 110 -16.602 -15.845 20.150 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.575 -13.565 19.943 1.00 10.00 C ATOM 1579 CG GLU A 110 -17.623 -12.658 20.725 1.00 10.00 C ATOM 1580 CD GLU A 110 -18.278 -12.250 22.047 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -19.298 -11.582 21.999 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -17.748 -12.612 23.084 1.00 50.00 O ATOM 0 H GLU A 110 -19.447 -15.618 18.964 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.497 -13.555 18.045 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.396 -12.979 19.531 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -19.016 -14.307 20.608 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -16.684 -13.178 20.917 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -17.383 -11.772 20.137 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.390 -14.473 18.939 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.128 -15.093 19.434 1.00 10.00 C ATOM 1591 C VAL A 111 -13.010 -14.050 19.507 1.00 10.00 C ATOM 1592 O VAL A 111 -12.968 -13.113 18.737 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.787 -16.166 18.401 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.465 -16.836 18.779 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.899 -17.217 18.370 1.00 12.50 C ATOM 0 H VAL A 111 -15.269 -13.706 18.278 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.240 -15.505 20.437 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.694 -15.706 17.417 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.221 -17.602 18.042 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.672 -16.089 18.802 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.558 -17.296 19.763 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.656 -17.982 17.633 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -14.992 -17.677 19.354 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.842 -16.741 18.101 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.099 -14.216 20.426 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.976 -13.244 20.550 1.00 10.00 C ATOM 1607 C LYS A 112 -9.639 -13.987 20.479 1.00 10.00 C ATOM 1608 O LYS A 112 -9.502 -15.087 20.977 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.161 -12.588 21.918 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.364 -11.644 21.871 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.893 -11.416 23.288 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.848 -10.221 23.289 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.116 -9.944 24.729 1.00 25.00 N ATOM 0 H LYS A 112 -12.084 -14.984 21.097 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.975 -12.504 19.750 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.313 -13.351 22.682 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.262 -12.036 22.193 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.076 -10.693 21.422 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.148 -12.068 21.243 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -13.409 -12.308 23.643 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -12.064 -11.234 23.972 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -13.400 -9.357 22.797 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -14.769 -10.451 22.753 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -14.765 -9.135 24.812 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.548 -10.781 25.169 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -13.222 -9.722 25.212 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.652 -13.398 19.862 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.328 -14.073 19.755 1.00 10.00 C ATOM 1629 C ILE A 113 -6.232 -13.053 19.456 1.00 10.00 C ATOM 1630 O ILE A 113 -6.437 -12.100 18.730 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.474 -15.053 18.591 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.172 -15.837 18.419 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.777 -14.277 17.308 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.479 -17.216 17.832 1.00 10.00 C ATOM 0 H ILE A 113 -8.705 -12.477 19.427 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.049 -14.575 20.681 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.290 -15.746 18.798 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.492 -15.294 17.762 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.670 -15.943 19.380 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -7.881 -14.975 16.477 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.705 -13.718 17.431 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -6.961 -13.585 17.100 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.551 -17.774 17.710 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.143 -17.759 18.505 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.963 -17.099 16.862 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.066 -13.252 20.002 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.953 -12.301 19.744 1.00 10.00 C ATOM 1648 C VAL A 114 -3.107 -12.805 18.572 1.00 10.00 C ATOM 1649 O VAL A 114 -2.629 -13.923 18.578 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.134 -12.289 21.033 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -2.131 -11.136 20.993 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.068 -12.111 22.231 1.00 50.00 C ATOM 0 H VAL A 114 -4.836 -14.033 20.616 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.306 -11.303 19.483 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.597 -13.233 21.128 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.548 -11.129 21.914 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.463 -11.264 20.141 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.666 -10.191 20.896 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.483 -12.103 23.151 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.607 -11.168 22.135 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.781 -12.935 22.262 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.924 -11.995 17.565 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.113 -12.438 16.398 1.00 10.00 C ATOM 1664 C TYR A 115 -0.635 -12.084 16.622 1.00 10.00 C ATOM 1665 O TYR A 115 -0.310 -11.222 17.415 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.723 -11.700 15.189 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.919 -10.469 14.828 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.882 -9.369 15.695 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.212 -10.432 13.620 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.139 -8.234 15.353 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.468 -9.297 13.279 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.430 -8.198 14.145 1.00 50.00 C ATOM 1673 OH TYR A 115 0.302 -7.079 13.808 1.00 50.00 O ATOM 0 H TYR A 115 -3.300 -11.049 17.501 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.136 -13.516 16.242 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.764 -12.373 14.333 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.749 -11.412 15.417 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.427 -9.397 16.627 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.241 -11.280 12.951 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -1.112 -7.385 16.020 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.077 -9.269 12.347 1.00 50.00 H new ATOM 0 HH TYR A 115 0.036 -6.329 14.380 1.00 50.00 H new ATOM 1683 N ASN A 116 0.258 -12.755 15.943 1.00 10.00 N ATOM 1684 CA ASN A 116 1.716 -12.475 16.124 1.00 10.00 C ATOM 1685 C ASN A 116 2.188 -13.009 17.479 1.00 10.00 C ATOM 1686 O ASN A 116 2.768 -12.292 18.270 1.00 10.00 O ATOM 1687 CB ASN A 116 1.856 -10.951 16.073 1.00 10.00 C ATOM 1688 CG ASN A 116 2.890 -10.567 15.013 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.427 -9.379 15.045 1.00 10.00 O flip ATOM 1690 ND2 ASN A 116 3.211 -11.356 14.147 1.00 10.00 N flip ATOM 0 H ASN A 116 0.041 -13.488 15.268 1.00 10.00 H new ATOM 0 HA ASN A 116 2.320 -12.958 15.356 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.894 -10.495 15.840 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.161 -10.571 17.048 1.00 10.00 H new ATOM 0 HD21 ASN A 116 2.791 -12.285 14.122 1.00 10.00 H new ATOM 0 HD22 ASN A 116 3.901 -11.089 13.444 1.00 10.00 H new ATOM 1697 N ALA A 117 1.943 -14.261 17.756 1.00 10.00 N ATOM 1698 CA ALA A 117 2.377 -14.833 19.064 1.00 10.00 C ATOM 1699 C ALA A 117 3.872 -15.155 19.036 1.00 10.00 C ATOM 1700 O ALA A 117 4.531 -15.161 20.056 1.00 10.00 O ATOM 1701 CB ALA A 117 1.559 -16.111 19.234 1.00 50.00 C ATOM 0 H ALA A 117 1.462 -14.912 17.135 1.00 10.00 H new ATOM 0 HA ALA A 117 2.219 -14.136 19.887 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.824 -16.590 20.177 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.497 -15.866 19.237 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.772 -16.791 18.409 1.00 50.00 H new ATOM 1732 N HIS A 119 6.142 -13.607 18.918 1.00 50.00 N ATOM 1733 CA HIS A 119 6.858 -12.626 19.780 1.00 50.00 C ATOM 1734 C HIS A 119 6.947 -13.151 21.217 1.00 50.00 C ATOM 1735 O HIS A 119 7.749 -12.694 22.006 1.00 50.00 O ATOM 1736 CB HIS A 119 6.005 -11.358 19.721 1.00 50.00 C ATOM 1737 CG HIS A 119 6.030 -10.801 18.324 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.212 -10.442 17.696 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.029 -10.539 17.420 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.898 -9.987 16.470 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.581 -10.023 16.249 1.00 50.00 N ATOM 0 HA HIS A 119 7.880 -12.447 19.446 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.980 -11.582 20.016 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.385 -10.618 20.426 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.976 -10.707 17.591 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.623 -9.635 15.751 1.00 50.00 H new ATOM 0 HE2 HIS A 119 5.086 -9.735 15.405 1.00 50.00 H new ATOM 1749 N LEU A 120 6.130 -14.111 21.564 1.00 12.50 N ATOM 1750 CA LEU A 120 6.174 -14.662 22.950 1.00 12.50 C ATOM 1751 C LEU A 120 7.600 -15.088 23.303 1.00 12.50 C ATOM 1752 O LEU A 120 8.237 -15.823 22.575 1.00 12.50 O ATOM 1753 CB LEU A 120 5.245 -15.875 22.928 1.00 12.50 C ATOM 1754 CG LEU A 120 4.061 -15.630 23.866 1.00 12.50 C ATOM 1755 CD1 LEU A 120 2.754 -15.759 23.082 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.083 -16.663 24.995 1.00 12.50 C ATOM 0 H LEU A 120 5.436 -14.536 20.949 1.00 12.50 H new ATOM 0 HA LEU A 120 5.866 -13.928 23.694 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.888 -16.054 21.914 1.00 12.50 H new ATOM 0 HB3 LEU A 120 5.788 -16.768 23.237 1.00 12.50 H new ATOM 0 HG LEU A 120 4.133 -14.628 24.289 1.00 12.50 H new ATOM 0 HD11 LEU A 120 1.910 -15.585 23.750 1.00 12.50 H new ATOM 0 HD12 LEU A 120 2.738 -15.024 22.278 1.00 12.50 H new ATOM 0 HD13 LEU A 120 2.681 -16.761 22.659 1.00 12.50 H new ATOM 0 HD21 LEU A 120 3.240 -16.489 25.664 1.00 12.50 H new ATOM 0 HD22 LEU A 120 4.011 -17.665 24.573 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.014 -16.571 25.554 1.00 12.50 H new