USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 870 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 109 THR OG1 : rot 180:sc= 1.06 USER MOD Set 1.2: A 121 THR OG1 : rot 119:sc= 1.22 USER MOD Set 2.1: A 84 MET CE :methyl 140:sc= -0.0612 (180deg=-2.62!) USER MOD Set 2.2: A 92 ASN : amide:sc= 0 X(o=-0.061,f=-0.23) USER MOD Set 3.1: A 64 THR OG1 : rot 175:sc= 1.09 USER MOD Set 3.2: A 81 THR OG1 : rot 104:sc= 0.696 USER MOD Set 4.1: A 38 HIS : no HE2:sc= -0.607 K(o=0.6,f=-0.66) USER MOD Set 4.2: A 129 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 47:sc= 0.885 USER MOD Single : A 29 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.4) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.238 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 MET CE :methyl 145:sc= -0.9 (180deg=-1.46!) USER MOD Single : A 69 ASN : amide:sc= -0.231 K(o=-0.23,f=-0.98) USER MOD Single : A 72 ASN : amide:sc= -2.82! C(o=-2.8!,f=-0.97!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 10:sc= 1.25 USER MOD Single : A 79 ASN : amide:sc= 0.964 K(o=0.96,f=-5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.29) USER MOD Single : A 87 GLN : amide:sc= 0.508 K(o=0.51,f=-2.4!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 120:sc= 0.188 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -20:sc= -0.0237 USER MOD Single : A 115 ASN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 118 GLN : amide:sc= -3.6! X(o=-3.6!,f=-3.9) USER MOD Single : A 122 TYR OH : rot 130:sc=-0.00977 USER MOD Single : A 123 HIS : no HD1:sc= 0.715 K(o=1.1,f=-6.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 -6.981 -9.221 -10.641 1.00 1.00 N ATOM 2 CA GLU A 21 -6.240 -8.279 -9.758 1.00 1.00 C ATOM 3 C GLU A 21 -6.827 -6.871 -9.929 1.00 1.00 C ATOM 4 O GLU A 21 -7.376 -6.591 -10.992 1.00 1.00 O ATOM 5 CB GLU A 21 -4.724 -8.361 -10.009 1.00 1.00 C ATOM 6 CG GLU A 21 -3.817 -7.417 -9.197 1.00 1.00 C ATOM 7 CD GLU A 21 -3.345 -6.158 -9.940 1.00 1.00 C ATOM 8 OE1 GLU A 21 -3.375 -6.146 -11.189 1.00 1.00 O ATOM 9 OE2 GLU A 21 -2.941 -5.224 -9.221 1.00 1.00 O ATOM 0 HA GLU A 21 -6.367 -8.558 -8.712 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -4.405 -9.385 -9.813 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.547 -8.169 -11.067 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.353 -7.109 -8.299 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -2.940 -7.975 -8.870 1.00 1.00 H new ATOM 17 N LEU A 22 -6.829 -6.059 -8.861 1.00 1.00 N ATOM 18 CA LEU A 22 -7.529 -4.780 -8.697 1.00 1.00 C ATOM 19 C LEU A 22 -6.755 -4.032 -7.588 1.00 1.00 C ATOM 20 O LEU A 22 -5.672 -4.504 -7.202 1.00 1.00 O ATOM 21 CB LEU A 22 -9.022 -5.072 -8.388 1.00 1.00 C ATOM 22 CG LEU A 22 -9.961 -5.101 -9.622 1.00 1.00 C ATOM 23 CD1 LEU A 22 -11.097 -6.113 -9.428 1.00 1.00 C ATOM 24 CD2 LEU A 22 -10.561 -3.725 -9.908 1.00 1.00 C ATOM 0 H LEU A 22 -6.298 -6.301 -8.024 1.00 1.00 H new ATOM 0 HA LEU A 22 -7.547 -4.146 -9.583 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -9.089 -6.033 -7.878 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -9.387 -4.316 -7.692 1.00 1.00 H new ATOM 0 HG LEU A 22 -9.350 -5.401 -10.473 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -11.740 -6.112 -10.308 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -10.677 -7.109 -9.287 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -11.683 -5.838 -8.551 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -11.213 -3.786 -10.779 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -11.139 -3.394 -9.045 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -9.760 -3.012 -10.104 1.00 1.00 H new ATOM 36 N VAL A 23 -7.179 -2.851 -7.106 1.00 1.00 N ATOM 37 CA VAL A 23 -6.499 -2.273 -5.920 1.00 1.00 C ATOM 38 C VAL A 23 -6.800 -3.142 -4.670 1.00 1.00 C ATOM 39 O VAL A 23 -7.589 -2.765 -3.796 1.00 1.00 O ATOM 40 CB VAL A 23 -6.759 -0.755 -5.730 1.00 1.00 C ATOM 41 CG1 VAL A 23 -5.946 -0.166 -4.556 1.00 1.00 C ATOM 42 CG2 VAL A 23 -6.364 0.034 -6.995 1.00 1.00 C ATOM 0 H VAL A 23 -7.946 -2.298 -7.489 1.00 1.00 H new ATOM 0 HA VAL A 23 -5.423 -2.311 -6.089 1.00 1.00 H new ATOM 0 HB VAL A 23 -7.825 -0.659 -5.525 1.00 1.00 H new ATOM 0 HG11 VAL A 23 -6.161 0.898 -4.462 1.00 1.00 H new ATOM 0 HG12 VAL A 23 -6.221 -0.674 -3.632 1.00 1.00 H new ATOM 0 HG13 VAL A 23 -4.882 -0.306 -4.744 1.00 1.00 H new ATOM 0 HG21 VAL A 23 -6.556 1.095 -6.837 1.00 1.00 H new ATOM 0 HG22 VAL A 23 -5.304 -0.116 -7.202 1.00 1.00 H new ATOM 0 HG23 VAL A 23 -6.952 -0.318 -7.842 1.00 1.00 H new ATOM 52 N ARG A 24 -6.182 -4.343 -4.615 1.00 1.00 N ATOM 53 CA ARG A 24 -6.143 -5.235 -3.440 1.00 1.00 C ATOM 54 C ARG A 24 -5.034 -4.774 -2.460 1.00 1.00 C ATOM 55 O ARG A 24 -3.948 -4.371 -2.876 1.00 1.00 O ATOM 56 CB ARG A 24 -5.845 -6.689 -3.847 1.00 1.00 C ATOM 57 CG ARG A 24 -6.707 -7.301 -4.957 1.00 1.00 C ATOM 58 CD ARG A 24 -6.271 -8.744 -5.231 1.00 1.00 C ATOM 59 NE ARG A 24 -7.098 -9.718 -4.496 1.00 1.00 N ATOM 60 CZ ARG A 24 -6.877 -11.020 -4.379 1.00 1.00 C ATOM 61 NH1 ARG A 24 -5.793 -11.597 -4.817 1.00 1.00 N ATOM 62 NH2 ARG A 24 -7.757 -11.792 -3.811 1.00 1.00 N ATOM 0 H ARG A 24 -5.681 -4.729 -5.415 1.00 1.00 H new ATOM 0 HA ARG A 24 -7.123 -5.187 -2.964 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -4.803 -6.744 -4.161 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -5.944 -7.314 -2.960 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -7.757 -7.280 -4.665 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -6.617 -6.707 -5.867 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -6.336 -8.946 -6.300 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -5.226 -8.868 -4.947 1.00 1.00 H new ATOM 0 HE ARG A 24 -7.927 -9.352 -4.028 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -5.069 -11.042 -5.273 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -5.669 -12.603 -4.703 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -8.626 -11.397 -3.451 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -7.578 -12.793 -3.726 1.00 1.00 H new ATOM 76 N THR A 25 -5.309 -4.859 -1.153 1.00 1.00 N ATOM 77 CA THR A 25 -4.369 -4.633 -0.021 1.00 1.00 C ATOM 78 C THR A 25 -3.534 -5.922 0.221 1.00 1.00 C ATOM 79 O THR A 25 -3.090 -6.547 -0.752 1.00 1.00 O ATOM 80 CB THR A 25 -5.148 -4.150 1.234 1.00 1.00 C ATOM 81 OG1 THR A 25 -6.159 -5.062 1.604 1.00 1.00 O ATOM 82 CG2 THR A 25 -5.797 -2.776 1.075 1.00 1.00 C ATOM 0 H THR A 25 -6.244 -5.101 -0.826 1.00 1.00 H new ATOM 0 HA THR A 25 -3.663 -3.838 -0.261 1.00 1.00 H new ATOM 0 HB THR A 25 -4.384 -4.081 2.009 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.627 -4.727 2.397 1.00 1.00 H new ATOM 0 HG21 THR A 25 -6.321 -2.512 1.994 1.00 1.00 H new ATOM 0 HG22 THR A 25 -5.028 -2.032 0.869 1.00 1.00 H new ATOM 0 HG23 THR A 25 -6.507 -2.802 0.248 1.00 1.00 H new ATOM 90 N ASP A 26 -3.325 -6.375 1.477 1.00 1.00 N ATOM 91 CA ASP A 26 -2.730 -7.690 1.809 1.00 1.00 C ATOM 92 C ASP A 26 -3.368 -8.872 1.038 1.00 1.00 C ATOM 93 O ASP A 26 -2.765 -9.939 0.946 1.00 1.00 O ATOM 94 CB ASP A 26 -2.829 -7.921 3.328 1.00 1.00 C ATOM 95 CG ASP A 26 -1.728 -7.159 4.058 1.00 1.00 C ATOM 96 OD1 ASP A 26 -0.545 -7.526 3.865 1.00 1.00 O ATOM 97 OD2 ASP A 26 -2.085 -6.179 4.746 1.00 1.00 O ATOM 0 H ASP A 26 -3.569 -5.828 2.303 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.687 -7.660 1.495 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -3.805 -7.595 3.688 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -2.748 -8.986 3.546 1.00 1.00 H new ATOM 102 N SER A 27 -4.567 -8.671 0.457 1.00 1.00 N ATOM 103 CA SER A 27 -5.262 -9.571 -0.468 1.00 1.00 C ATOM 104 C SER A 27 -5.936 -10.826 0.150 1.00 1.00 C ATOM 105 O SER A 27 -6.351 -11.670 -0.652 1.00 1.00 O ATOM 106 CB SER A 27 -4.313 -9.910 -1.646 1.00 1.00 C ATOM 107 OG SER A 27 -3.847 -8.757 -2.347 1.00 1.00 O ATOM 0 H SER A 27 -5.104 -7.822 0.636 1.00 1.00 H new ATOM 0 HA SER A 27 -6.132 -9.020 -0.827 1.00 1.00 H new ATOM 0 HB2 SER A 27 -3.456 -10.465 -1.265 1.00 1.00 H new ATOM 0 HB3 SER A 27 -4.833 -10.566 -2.345 1.00 1.00 H new ATOM 0 HG SER A 27 -3.540 -8.085 -1.703 1.00 1.00 H new ATOM 113 N PRO A 28 -6.174 -10.986 1.491 1.00 1.00 N ATOM 114 CA PRO A 28 -6.837 -12.164 2.096 1.00 1.00 C ATOM 115 C PRO A 28 -8.359 -12.310 1.809 1.00 1.00 C ATOM 116 O PRO A 28 -9.066 -12.831 2.664 1.00 1.00 O ATOM 117 CB PRO A 28 -6.592 -12.046 3.609 1.00 1.00 C ATOM 118 CG PRO A 28 -6.597 -10.539 3.821 1.00 1.00 C ATOM 119 CD PRO A 28 -5.893 -10.035 2.566 1.00 1.00 C ATOM 0 HA PRO A 28 -6.410 -13.060 1.646 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -7.372 -12.541 4.187 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -5.644 -12.495 3.904 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -7.609 -10.143 3.907 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -6.065 -10.254 4.729 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -6.250 -9.040 2.300 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -4.819 -9.954 2.735 1.00 1.00 H new ATOM 127 N ASN A 29 -8.836 -11.825 0.645 1.00 1.00 N ATOM 128 CA ASN A 29 -10.200 -11.723 0.064 1.00 1.00 C ATOM 129 C ASN A 29 -10.521 -10.315 -0.535 1.00 1.00 C ATOM 130 O ASN A 29 -11.388 -10.226 -1.406 1.00 1.00 O ATOM 131 CB ASN A 29 -11.331 -12.169 1.039 1.00 1.00 C ATOM 132 CG ASN A 29 -11.399 -13.658 1.401 1.00 1.00 C ATOM 133 OD1 ASN A 29 -10.917 -14.549 0.716 1.00 1.00 O ATOM 134 ND2 ASN A 29 -12.050 -13.981 2.500 1.00 1.00 N ATOM 0 H ASN A 29 -8.167 -11.432 -0.017 1.00 1.00 H new ATOM 0 HA ASN A 29 -10.183 -12.434 -0.762 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -11.223 -11.601 1.963 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -12.287 -11.884 0.600 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -12.145 -14.961 2.767 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -12.459 -13.251 3.084 1.00 1.00 H new ATOM 141 N PHE A 30 -9.814 -9.227 -0.156 1.00 1.00 N ATOM 142 CA PHE A 30 -10.152 -7.835 -0.525 1.00 1.00 C ATOM 143 C PHE A 30 -9.614 -7.369 -1.895 1.00 1.00 C ATOM 144 O PHE A 30 -8.475 -7.661 -2.273 1.00 1.00 O ATOM 145 CB PHE A 30 -9.623 -6.876 0.562 1.00 1.00 C ATOM 146 CG PHE A 30 -10.220 -7.050 1.945 1.00 1.00 C ATOM 147 CD1 PHE A 30 -11.569 -6.696 2.192 1.00 1.00 C ATOM 148 CD2 PHE A 30 -9.431 -7.596 2.981 1.00 1.00 C ATOM 149 CE1 PHE A 30 -12.137 -6.934 3.462 1.00 1.00 C ATOM 150 CE2 PHE A 30 -10.002 -7.832 4.250 1.00 1.00 C ATOM 151 CZ PHE A 30 -11.357 -7.517 4.482 1.00 1.00 C ATOM 0 H PHE A 30 -8.978 -9.293 0.425 1.00 1.00 H new ATOM 0 HA PHE A 30 -11.239 -7.814 -0.604 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -8.543 -7.001 0.635 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -9.804 -5.852 0.235 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -12.162 -6.245 1.410 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -8.392 -7.833 2.803 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -13.167 -6.670 3.652 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -9.402 -8.253 5.043 1.00 1.00 H new ATOM 0 HZ PHE A 30 -11.799 -7.723 5.445 1.00 1.00 H new ATOM 161 N LEU A 31 -10.444 -6.593 -2.611 1.00 1.00 N ATOM 162 CA LEU A 31 -10.148 -5.858 -3.852 1.00 1.00 C ATOM 163 C LEU A 31 -10.966 -4.546 -3.959 1.00 1.00 C ATOM 164 O LEU A 31 -12.101 -4.459 -3.477 1.00 1.00 O ATOM 165 CB LEU A 31 -10.326 -6.788 -5.074 1.00 1.00 C ATOM 166 CG LEU A 31 -11.655 -7.559 -5.278 1.00 1.00 C ATOM 167 CD1 LEU A 31 -12.799 -6.644 -5.736 1.00 1.00 C ATOM 168 CD2 LEU A 31 -11.459 -8.660 -6.331 1.00 1.00 C ATOM 0 H LEU A 31 -11.410 -6.453 -2.316 1.00 1.00 H new ATOM 0 HA LEU A 31 -9.105 -5.544 -3.831 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -10.162 -6.184 -5.967 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -9.526 -7.527 -5.037 1.00 1.00 H new ATOM 0 HG LEU A 31 -11.927 -7.986 -4.313 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -13.707 -7.233 -5.864 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -12.970 -5.872 -4.986 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -12.533 -6.176 -6.684 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -12.395 -9.200 -6.472 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -11.154 -8.210 -7.276 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -10.688 -9.353 -5.994 1.00 1.00 H new ATOM 180 N CYS A 32 -10.397 -3.531 -4.627 1.00 1.00 N ATOM 181 CA CYS A 32 -11.042 -2.244 -4.914 1.00 1.00 C ATOM 182 C CYS A 32 -10.944 -1.829 -6.405 1.00 1.00 C ATOM 183 O CYS A 32 -9.857 -1.733 -6.982 1.00 1.00 O ATOM 184 CB CYS A 32 -10.491 -1.200 -3.932 1.00 1.00 C ATOM 185 SG CYS A 32 -11.599 0.226 -3.784 1.00 1.00 S ATOM 0 H CYS A 32 -9.446 -3.587 -4.993 1.00 1.00 H new ATOM 0 HA CYS A 32 -12.117 -2.332 -4.756 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -10.353 -1.658 -2.952 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -9.510 -0.866 -4.268 1.00 1.00 H new ATOM 0 HG CYS A 32 -11.096 1.081 -2.944 1.00 1.00 H new ATOM 191 N SER A 33 -12.116 -1.620 -7.021 1.00 1.00 N ATOM 192 CA SER A 33 -12.387 -1.086 -8.360 1.00 1.00 C ATOM 193 C SER A 33 -12.499 0.445 -8.264 1.00 1.00 C ATOM 194 O SER A 33 -13.533 0.992 -7.861 1.00 1.00 O ATOM 195 CB SER A 33 -13.649 -1.744 -8.933 1.00 1.00 C ATOM 196 OG SER A 33 -13.686 -1.704 -10.346 1.00 1.00 O ATOM 0 H SER A 33 -12.988 -1.845 -6.542 1.00 1.00 H new ATOM 0 HA SER A 33 -11.574 -1.318 -9.048 1.00 1.00 H new ATOM 0 HB2 SER A 33 -13.697 -2.781 -8.601 1.00 1.00 H new ATOM 0 HB3 SER A 33 -14.530 -1.241 -8.535 1.00 1.00 H new ATOM 0 HG SER A 33 -14.506 -2.136 -10.664 1.00 1.00 H new ATOM 202 N VAL A 34 -11.373 1.102 -8.570 1.00 1.00 N ATOM 203 CA VAL A 34 -11.059 2.548 -8.479 1.00 1.00 C ATOM 204 C VAL A 34 -9.994 2.953 -9.521 1.00 1.00 C ATOM 205 O VAL A 34 -9.235 2.103 -9.996 1.00 1.00 O ATOM 206 CB VAL A 34 -10.510 2.918 -7.068 1.00 1.00 C ATOM 207 CG1 VAL A 34 -11.607 2.963 -6.005 1.00 1.00 C ATOM 208 CG2 VAL A 34 -9.360 2.012 -6.576 1.00 1.00 C ATOM 0 H VAL A 34 -10.569 0.585 -8.926 1.00 1.00 H new ATOM 0 HA VAL A 34 -11.990 3.082 -8.669 1.00 1.00 H new ATOM 0 HB VAL A 34 -10.100 3.919 -7.205 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -11.170 3.225 -5.042 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -12.351 3.710 -6.281 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -12.084 1.986 -5.933 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -9.037 2.338 -5.587 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -9.707 0.980 -6.522 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -8.523 2.077 -7.271 1.00 1.00 H new ATOM 218 N LEU A 35 -9.873 4.263 -9.801 1.00 1.00 N ATOM 219 CA LEU A 35 -8.829 4.858 -10.657 1.00 1.00 C ATOM 220 C LEU A 35 -8.055 6.005 -9.939 1.00 1.00 C ATOM 221 O LEU A 35 -8.293 7.180 -10.227 1.00 1.00 O ATOM 222 CB LEU A 35 -9.461 5.224 -12.021 1.00 1.00 C ATOM 223 CG LEU A 35 -8.561 5.468 -13.253 1.00 1.00 C ATOM 224 CD1 LEU A 35 -7.852 6.832 -13.249 1.00 1.00 C ATOM 225 CD2 LEU A 35 -7.532 4.340 -13.422 1.00 1.00 C ATOM 0 H LEU A 35 -10.518 4.959 -9.427 1.00 1.00 H new ATOM 0 HA LEU A 35 -8.040 4.134 -10.860 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -10.155 4.425 -12.281 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -10.055 6.126 -11.871 1.00 1.00 H new ATOM 0 HG LEU A 35 -9.239 5.474 -14.106 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -7.240 6.927 -14.146 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -8.596 7.629 -13.231 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -7.217 6.909 -12.367 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -6.914 4.540 -14.297 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -6.900 4.288 -12.535 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -8.051 3.391 -13.554 1.00 1.00 H new ATOM 237 N PRO A 36 -7.132 5.687 -8.992 1.00 1.00 N ATOM 238 CA PRO A 36 -6.302 6.672 -8.278 1.00 1.00 C ATOM 239 C PRO A 36 -5.127 7.223 -9.117 1.00 1.00 C ATOM 240 O PRO A 36 -4.794 8.401 -9.022 1.00 1.00 O ATOM 241 CB PRO A 36 -5.756 5.934 -7.047 1.00 1.00 C ATOM 242 CG PRO A 36 -5.709 4.473 -7.496 1.00 1.00 C ATOM 243 CD PRO A 36 -6.851 4.344 -8.501 1.00 1.00 C ATOM 0 HA PRO A 36 -6.909 7.543 -8.030 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -4.768 6.299 -6.766 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -6.403 6.067 -6.180 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -4.750 4.229 -7.952 1.00 1.00 H new ATOM 0 HG3 PRO A 36 -5.843 3.795 -6.654 1.00 1.00 H new ATOM 0 HD2 PRO A 36 -6.571 3.683 -9.321 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -7.734 3.912 -8.030 1.00 1.00 H new ATOM 251 N THR A 37 -4.460 6.349 -9.889 1.00 1.00 N ATOM 252 CA THR A 37 -3.255 6.544 -10.733 1.00 1.00 C ATOM 253 C THR A 37 -2.220 7.481 -10.081 1.00 1.00 C ATOM 254 O THR A 37 -1.646 8.352 -10.731 1.00 1.00 O ATOM 255 CB THR A 37 -3.596 6.883 -12.209 1.00 1.00 C ATOM 256 OG1 THR A 37 -4.563 5.972 -12.681 1.00 1.00 O ATOM 257 CG2 THR A 37 -2.436 6.695 -13.200 1.00 1.00 C ATOM 0 H THR A 37 -4.781 5.383 -9.948 1.00 1.00 H new ATOM 0 HA THR A 37 -2.754 5.577 -10.790 1.00 1.00 H new ATOM 0 HB THR A 37 -3.902 7.929 -12.179 1.00 1.00 H new ATOM 0 HG1 THR A 37 -4.784 6.182 -13.612 1.00 1.00 H new ATOM 0 HG21 THR A 37 -2.770 6.956 -14.204 1.00 1.00 H new ATOM 0 HG22 THR A 37 -1.605 7.340 -12.914 1.00 1.00 H new ATOM 0 HG23 THR A 37 -2.110 5.655 -13.185 1.00 1.00 H new ATOM 265 N HIS A 38 -1.972 7.244 -8.778 1.00 1.00 N ATOM 266 CA HIS A 38 -0.943 7.863 -7.906 1.00 1.00 C ATOM 267 C HIS A 38 -0.827 9.399 -8.060 1.00 1.00 C ATOM 268 O HIS A 38 -0.088 9.895 -8.917 1.00 1.00 O ATOM 269 CB HIS A 38 0.404 7.138 -8.125 1.00 1.00 C ATOM 270 CG HIS A 38 0.798 6.837 -9.551 1.00 1.00 C ATOM 271 ND1 HIS A 38 1.122 7.778 -10.507 1.00 1.00 N ATOM 272 CD2 HIS A 38 0.671 5.625 -10.168 1.00 1.00 C ATOM 273 CE1 HIS A 38 1.237 7.137 -11.689 1.00 1.00 C ATOM 274 NE2 HIS A 38 0.973 5.819 -11.505 1.00 1.00 N ATOM 0 H HIS A 38 -2.528 6.561 -8.263 1.00 1.00 H new ATOM 0 HA HIS A 38 -1.259 7.731 -6.871 1.00 1.00 H new ATOM 0 HB2 HIS A 38 1.191 7.744 -7.677 1.00 1.00 H new ATOM 0 HB3 HIS A 38 0.375 6.197 -7.576 1.00 1.00 H new ATOM 0 HD1 HIS A 38 1.251 8.777 -10.349 1.00 1.00 H new ATOM 0 HD2 HIS A 38 0.389 4.693 -9.702 1.00 1.00 H new ATOM 0 HE1 HIS A 38 1.497 7.599 -12.630 1.00 1.00 H new ATOM 283 N TRP A 39 -1.532 10.155 -7.206 1.00 1.00 N ATOM 284 CA TRP A 39 -1.734 11.615 -7.210 1.00 1.00 C ATOM 285 C TRP A 39 -2.401 12.032 -5.869 1.00 1.00 C ATOM 286 O TRP A 39 -2.673 11.170 -5.027 1.00 1.00 O ATOM 287 CB TRP A 39 -2.495 12.064 -8.483 1.00 1.00 C ATOM 288 CG TRP A 39 -3.906 12.568 -8.452 1.00 1.00 C ATOM 289 CD1 TRP A 39 -4.967 11.945 -7.890 1.00 1.00 C ATOM 290 CD2 TRP A 39 -4.422 13.809 -9.026 1.00 1.00 C ATOM 291 NE1 TRP A 39 -6.095 12.733 -8.032 1.00 1.00 N ATOM 292 CE2 TRP A 39 -5.819 13.895 -8.723 1.00 1.00 C ATOM 293 CE3 TRP A 39 -3.849 14.873 -9.772 1.00 1.00 C ATOM 294 CZ2 TRP A 39 -6.608 14.993 -9.121 1.00 1.00 C ATOM 295 CZ3 TRP A 39 -4.630 15.982 -10.172 1.00 1.00 C ATOM 296 CH2 TRP A 39 -6.002 16.046 -9.841 1.00 1.00 C ATOM 0 H TRP A 39 -2.021 9.722 -6.422 1.00 1.00 H new ATOM 0 HA TRP A 39 -0.781 12.141 -7.263 1.00 1.00 H new ATOM 0 HB2 TRP A 39 -1.895 12.850 -8.942 1.00 1.00 H new ATOM 0 HB3 TRP A 39 -2.484 11.215 -9.166 1.00 1.00 H new ATOM 0 HD1 TRP A 39 -4.938 10.981 -7.405 1.00 1.00 H new ATOM 0 HE1 TRP A 39 -7.016 12.486 -7.671 1.00 1.00 H new ATOM 0 HE3 TRP A 39 -2.803 14.835 -10.037 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 -7.660 15.029 -8.879 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 -4.175 16.785 -10.734 1.00 1.00 H new ATOM 0 HH2 TRP A 39 -6.589 16.902 -10.139 1.00 1.00 H new ATOM 307 N ARG A 40 -2.616 13.332 -5.637 1.00 1.00 N ATOM 308 CA ARG A 40 -3.263 13.867 -4.419 1.00 1.00 C ATOM 309 C ARG A 40 -4.556 14.647 -4.697 1.00 1.00 C ATOM 310 O ARG A 40 -4.871 14.990 -5.835 1.00 1.00 O ATOM 311 CB ARG A 40 -2.243 14.652 -3.566 1.00 1.00 C ATOM 312 CG ARG A 40 -2.009 16.118 -3.953 1.00 1.00 C ATOM 313 CD ARG A 40 -0.997 16.832 -3.052 1.00 1.00 C ATOM 314 NE ARG A 40 0.265 17.084 -3.771 1.00 1.00 N ATOM 315 CZ ARG A 40 1.171 18.018 -3.529 1.00 1.00 C ATOM 316 NH1 ARG A 40 1.139 18.812 -2.501 1.00 1.00 N ATOM 317 NH2 ARG A 40 2.180 18.215 -4.322 1.00 1.00 N ATOM 0 H ARG A 40 -2.343 14.060 -6.298 1.00 1.00 H new ATOM 0 HA ARG A 40 -3.597 13.013 -3.829 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -2.573 14.622 -2.527 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -1.287 14.130 -3.612 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -1.660 16.162 -4.985 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -2.958 16.652 -3.914 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -1.417 17.776 -2.705 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -0.801 16.226 -2.168 1.00 1.00 H new ATOM 0 HE ARG A 40 0.465 16.460 -4.553 1.00 1.00 H new ATOM 0 HH11 ARG A 40 0.383 18.736 -1.821 1.00 1.00 H new ATOM 0 HH12 ARG A 40 1.870 19.511 -2.374 1.00 1.00 H new ATOM 0 HH21 ARG A 40 2.291 17.642 -5.158 1.00 1.00 H new ATOM 0 HH22 ARG A 40 2.862 18.943 -4.109 1.00 1.00 H new ATOM 331 N CYS A 41 -5.302 14.904 -3.616 1.00 1.00 N ATOM 332 CA CYS A 41 -6.502 15.754 -3.570 1.00 1.00 C ATOM 333 C CYS A 41 -7.818 15.182 -4.150 1.00 1.00 C ATOM 334 O CYS A 41 -8.780 15.940 -4.226 1.00 1.00 O ATOM 335 CB CYS A 41 -6.152 17.146 -4.135 1.00 1.00 C ATOM 336 SG CYS A 41 -5.769 18.286 -2.783 1.00 1.00 S ATOM 0 H CYS A 41 -5.076 14.506 -2.704 1.00 1.00 H new ATOM 0 HA CYS A 41 -6.765 15.815 -2.514 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -5.299 17.070 -4.810 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -6.988 17.531 -4.720 1.00 1.00 H new ATOM 0 HG CYS A 41 -5.474 19.454 -3.271 1.00 1.00 H new ATOM 342 N ASN A 42 -7.922 13.870 -4.439 1.00 1.00 N ATOM 343 CA ASN A 42 -9.018 13.107 -5.073 1.00 1.00 C ATOM 344 C ASN A 42 -10.444 13.728 -5.049 1.00 1.00 C ATOM 345 O ASN A 42 -11.118 13.745 -6.077 1.00 1.00 O ATOM 346 CB ASN A 42 -8.980 11.711 -4.430 1.00 1.00 C ATOM 347 CG ASN A 42 -9.659 10.613 -5.237 1.00 1.00 C ATOM 348 OD1 ASN A 42 -9.247 10.298 -6.337 1.00 1.00 O ATOM 349 ND2 ASN A 42 -10.708 9.991 -4.743 1.00 1.00 N ATOM 0 H ASN A 42 -7.150 13.246 -4.207 1.00 1.00 H new ATOM 0 HA ASN A 42 -8.831 13.098 -6.147 1.00 1.00 H new ATOM 0 HB2 ASN A 42 -7.939 11.431 -4.267 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -9.453 11.766 -3.449 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -11.165 9.255 -5.281 1.00 1.00 H new ATOM 0 HD22 ASN A 42 -11.064 10.245 -3.822 1.00 1.00 H new ATOM 356 N LYS A 43 -10.872 14.220 -3.873 1.00 1.00 N ATOM 357 CA LYS A 43 -12.073 15.018 -3.490 1.00 1.00 C ATOM 358 C LYS A 43 -13.480 14.504 -3.867 1.00 1.00 C ATOM 359 O LYS A 43 -14.418 14.780 -3.119 1.00 1.00 O ATOM 360 CB LYS A 43 -11.841 16.474 -3.952 1.00 1.00 C ATOM 361 CG LYS A 43 -12.793 17.524 -3.360 1.00 1.00 C ATOM 362 CD LYS A 43 -13.768 18.114 -4.391 1.00 1.00 C ATOM 363 CE LYS A 43 -13.359 19.495 -4.913 1.00 1.00 C ATOM 364 NZ LYS A 43 -14.178 19.895 -6.075 1.00 1.00 N ATOM 0 H LYS A 43 -10.306 14.046 -3.042 1.00 1.00 H new ATOM 0 HA LYS A 43 -12.133 14.917 -2.406 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -10.818 16.756 -3.701 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -11.924 16.508 -5.038 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.363 17.070 -2.549 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.205 18.331 -2.923 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -13.850 17.427 -5.234 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -14.758 18.185 -3.941 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.467 20.233 -4.118 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -12.306 19.482 -5.195 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.877 20.834 -6.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.055 19.203 -6.841 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -15.180 19.930 -5.798 1.00 1.00 H new ATOM 377 N THR A 44 -13.624 13.761 -4.972 1.00 1.00 N ATOM 378 CA THR A 44 -14.807 13.174 -5.663 1.00 1.00 C ATOM 379 C THR A 44 -14.577 13.305 -7.177 1.00 1.00 C ATOM 380 O THR A 44 -15.030 14.265 -7.801 1.00 1.00 O ATOM 381 CB THR A 44 -16.196 13.756 -5.262 1.00 1.00 C ATOM 382 OG1 THR A 44 -16.445 13.508 -3.904 1.00 1.00 O ATOM 383 CG2 THR A 44 -17.392 13.152 -6.012 1.00 1.00 C ATOM 0 H THR A 44 -12.783 13.513 -5.493 1.00 1.00 H new ATOM 0 HA THR A 44 -14.871 12.135 -5.341 1.00 1.00 H new ATOM 0 HB THR A 44 -16.123 14.815 -5.511 1.00 1.00 H new ATOM 0 HG1 THR A 44 -15.925 14.133 -3.357 1.00 1.00 H new ATOM 0 HG21 THR A 44 -18.313 13.620 -5.665 1.00 1.00 H new ATOM 0 HG22 THR A 44 -17.277 13.327 -7.082 1.00 1.00 H new ATOM 0 HG23 THR A 44 -17.436 12.079 -5.823 1.00 1.00 H new ATOM 391 N LEU A 45 -13.827 12.361 -7.764 1.00 1.00 N ATOM 392 CA LEU A 45 -13.587 12.271 -9.207 1.00 1.00 C ATOM 393 C LEU A 45 -14.745 11.546 -9.952 1.00 1.00 C ATOM 394 O LEU A 45 -15.412 10.697 -9.347 1.00 1.00 O ATOM 395 CB LEU A 45 -12.228 11.564 -9.348 1.00 1.00 C ATOM 396 CG LEU A 45 -11.036 12.377 -9.890 1.00 1.00 C ATOM 397 CD1 LEU A 45 -9.805 12.104 -9.023 1.00 1.00 C ATOM 398 CD2 LEU A 45 -10.737 12.020 -11.350 1.00 1.00 C ATOM 0 H LEU A 45 -13.361 11.624 -7.235 1.00 1.00 H new ATOM 0 HA LEU A 45 -13.559 13.254 -9.678 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -11.950 11.179 -8.367 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -12.367 10.702 -10.001 1.00 1.00 H new ATOM 0 HG LEU A 45 -11.291 13.436 -9.851 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -8.959 12.677 -9.402 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -10.012 12.400 -7.994 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -9.567 11.041 -9.054 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -9.891 12.610 -11.703 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -10.495 10.960 -11.423 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -11.612 12.236 -11.964 1.00 1.00 H new ATOM 410 N PRO A 46 -14.976 11.809 -11.266 1.00 1.00 N ATOM 411 CA PRO A 46 -16.074 11.232 -12.081 1.00 1.00 C ATOM 412 C PRO A 46 -15.958 9.710 -12.392 1.00 1.00 C ATOM 413 O PRO A 46 -16.309 9.257 -13.480 1.00 1.00 O ATOM 414 CB PRO A 46 -16.130 12.086 -13.359 1.00 1.00 C ATOM 415 CG PRO A 46 -14.708 12.613 -13.504 1.00 1.00 C ATOM 416 CD PRO A 46 -14.220 12.766 -12.066 1.00 1.00 C ATOM 0 HA PRO A 46 -17.000 11.271 -11.508 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -16.427 11.493 -14.224 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.851 12.899 -13.266 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -14.081 11.920 -14.066 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -14.688 13.564 -14.035 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -13.150 12.569 -11.997 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -14.381 13.783 -11.708 1.00 1.00 H new ATOM 424 N ILE A 47 -15.469 8.926 -11.421 1.00 1.00 N ATOM 425 CA ILE A 47 -15.129 7.486 -11.461 1.00 1.00 C ATOM 426 C ILE A 47 -15.761 6.647 -10.325 1.00 1.00 C ATOM 427 O ILE A 47 -16.048 5.471 -10.549 1.00 1.00 O ATOM 428 CB ILE A 47 -13.581 7.300 -11.473 1.00 1.00 C ATOM 429 CG1 ILE A 47 -12.927 7.977 -10.236 1.00 1.00 C ATOM 430 CG2 ILE A 47 -12.992 7.828 -12.802 1.00 1.00 C ATOM 431 CD1 ILE A 47 -11.404 7.901 -10.083 1.00 1.00 C ATOM 0 H ILE A 47 -15.282 9.316 -10.497 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.564 7.104 -12.385 1.00 1.00 H new ATOM 0 HB ILE A 47 -13.354 6.236 -11.407 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.207 9.030 -10.247 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.373 7.538 -9.343 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -11.910 7.693 -12.800 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -13.425 7.276 -13.636 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -13.225 8.887 -12.908 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -11.103 8.419 -9.172 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -11.096 6.857 -10.025 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -10.928 8.372 -10.943 1.00 1.00 H new ATOM 443 N ALA A 48 -16.005 7.242 -9.139 1.00 1.00 N ATOM 444 CA ALA A 48 -16.473 6.602 -7.894 1.00 1.00 C ATOM 445 C ALA A 48 -15.607 5.404 -7.387 1.00 1.00 C ATOM 446 O ALA A 48 -14.516 5.136 -7.899 1.00 1.00 O ATOM 447 CB ALA A 48 -17.976 6.291 -8.047 1.00 1.00 C ATOM 0 H ALA A 48 -15.872 8.246 -9.019 1.00 1.00 H new ATOM 0 HA ALA A 48 -16.336 7.309 -7.076 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -18.344 5.817 -7.137 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -18.523 7.217 -8.220 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -18.124 5.619 -8.892 1.00 1.00 H new ATOM 453 N PHE A 49 -16.071 4.719 -6.327 1.00 1.00 N ATOM 454 CA PHE A 49 -15.403 3.605 -5.638 1.00 1.00 C ATOM 455 C PHE A 49 -16.295 2.348 -5.525 1.00 1.00 C ATOM 456 O PHE A 49 -17.453 2.424 -5.098 1.00 1.00 O ATOM 457 CB PHE A 49 -15.016 4.075 -4.221 1.00 1.00 C ATOM 458 CG PHE A 49 -13.855 5.042 -4.061 1.00 1.00 C ATOM 459 CD1 PHE A 49 -14.008 6.411 -4.382 1.00 1.00 C ATOM 460 CD2 PHE A 49 -12.649 4.601 -3.468 1.00 1.00 C ATOM 461 CE1 PHE A 49 -12.952 7.319 -4.140 1.00 1.00 C ATOM 462 CE2 PHE A 49 -11.589 5.503 -3.238 1.00 1.00 C ATOM 463 CZ PHE A 49 -11.739 6.864 -3.578 1.00 1.00 C ATOM 0 H PHE A 49 -16.973 4.942 -5.906 1.00 1.00 H new ATOM 0 HA PHE A 49 -14.528 3.326 -6.225 1.00 1.00 H new ATOM 0 HB2 PHE A 49 -15.896 4.540 -3.776 1.00 1.00 H new ATOM 0 HB3 PHE A 49 -14.790 3.188 -3.629 1.00 1.00 H new ATOM 0 HD1 PHE A 49 -14.934 6.763 -4.813 1.00 1.00 H new ATOM 0 HD2 PHE A 49 -12.539 3.564 -3.189 1.00 1.00 H new ATOM 0 HE1 PHE A 49 -13.073 8.364 -4.386 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -10.665 5.153 -2.803 1.00 1.00 H new ATOM 0 HZ PHE A 49 -10.928 7.557 -3.409 1.00 1.00 H new ATOM 473 N LYS A 50 -15.724 1.168 -5.837 1.00 1.00 N ATOM 474 CA LYS A 50 -16.329 -0.160 -5.628 1.00 1.00 C ATOM 475 C LYS A 50 -15.327 -1.077 -4.909 1.00 1.00 C ATOM 476 O LYS A 50 -14.346 -1.503 -5.505 1.00 1.00 O ATOM 477 CB LYS A 50 -16.765 -0.754 -6.981 1.00 1.00 C ATOM 478 CG LYS A 50 -18.016 -0.097 -7.583 1.00 1.00 C ATOM 479 CD LYS A 50 -18.474 -0.807 -8.864 1.00 1.00 C ATOM 480 CE LYS A 50 -19.944 -0.497 -9.137 1.00 1.00 C ATOM 481 NZ LYS A 50 -20.533 -1.447 -10.104 1.00 1.00 N ATOM 0 H LYS A 50 -14.796 1.113 -6.256 1.00 1.00 H new ATOM 0 HA LYS A 50 -17.215 -0.067 -5.000 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -15.942 -0.659 -7.689 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -16.954 -1.820 -6.853 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -18.823 -0.113 -6.850 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -17.806 0.950 -7.803 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -17.863 -0.484 -9.707 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -18.334 -1.883 -8.763 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -20.504 -0.535 -8.202 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -20.036 0.518 -9.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -21.532 -1.205 -10.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -20.015 -1.392 -11.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -20.468 -2.413 -9.725 1.00 1.00 H new ATOM 494 N VAL A 51 -15.578 -1.406 -3.637 1.00 1.00 N ATOM 495 CA VAL A 51 -14.804 -2.384 -2.836 1.00 1.00 C ATOM 496 C VAL A 51 -15.626 -3.666 -2.684 1.00 1.00 C ATOM 497 O VAL A 51 -16.837 -3.591 -2.455 1.00 1.00 O ATOM 498 CB VAL A 51 -14.345 -1.812 -1.460 1.00 1.00 C ATOM 499 CG1 VAL A 51 -15.323 -2.062 -0.292 1.00 1.00 C ATOM 500 CG2 VAL A 51 -12.971 -2.379 -1.057 1.00 1.00 C ATOM 0 H VAL A 51 -16.348 -0.991 -3.113 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.881 -2.612 -3.369 1.00 1.00 H new ATOM 0 HB VAL A 51 -14.302 -0.735 -1.623 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -14.917 -1.628 0.622 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -16.284 -1.600 -0.517 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -15.459 -3.135 -0.155 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -12.674 -1.964 -0.094 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -13.034 -3.465 -0.981 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -12.231 -2.110 -1.811 1.00 1.00 H new ATOM 510 N VAL A 52 -14.977 -4.824 -2.862 1.00 1.00 N ATOM 511 CA VAL A 52 -15.559 -6.154 -2.601 1.00 1.00 C ATOM 512 C VAL A 52 -14.549 -7.066 -1.890 1.00 1.00 C ATOM 513 O VAL A 52 -13.360 -7.073 -2.229 1.00 1.00 O ATOM 514 CB VAL A 52 -16.127 -6.838 -3.882 1.00 1.00 C ATOM 515 CG1 VAL A 52 -16.909 -8.128 -3.545 1.00 1.00 C ATOM 516 CG2 VAL A 52 -17.069 -5.924 -4.694 1.00 1.00 C ATOM 0 H VAL A 52 -14.015 -4.867 -3.198 1.00 1.00 H new ATOM 0 HA VAL A 52 -16.410 -5.992 -1.939 1.00 1.00 H new ATOM 0 HB VAL A 52 -15.247 -7.068 -4.483 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -17.288 -8.574 -4.464 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -16.247 -8.835 -3.045 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -17.744 -7.886 -2.888 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -17.429 -6.461 -5.572 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -17.917 -5.633 -4.074 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -16.527 -5.033 -5.010 1.00 1.00 H new ATOM 526 N ALA A 53 -15.031 -7.854 -0.919 1.00 1.00 N ATOM 527 CA ALA A 53 -14.263 -8.943 -0.316 1.00 1.00 C ATOM 528 C ALA A 53 -14.838 -10.244 -0.916 1.00 1.00 C ATOM 529 O ALA A 53 -15.923 -10.693 -0.529 1.00 1.00 O ATOM 530 CB ALA A 53 -14.355 -8.869 1.215 1.00 1.00 C ATOM 0 H ALA A 53 -15.969 -7.750 -0.531 1.00 1.00 H new ATOM 0 HA ALA A 53 -13.197 -8.887 -0.534 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -13.780 -9.684 1.654 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -13.953 -7.916 1.558 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -15.398 -8.955 1.521 1.00 1.00 H new ATOM 536 N LEU A 54 -14.101 -10.873 -1.837 1.00 1.00 N ATOM 537 CA LEU A 54 -14.507 -12.124 -2.495 1.00 1.00 C ATOM 538 C LEU A 54 -13.962 -13.288 -1.655 1.00 1.00 C ATOM 539 O LEU A 54 -12.749 -13.451 -1.535 1.00 1.00 O ATOM 540 CB LEU A 54 -14.069 -12.129 -3.973 1.00 1.00 C ATOM 541 CG LEU A 54 -14.429 -13.370 -4.828 1.00 1.00 C ATOM 542 CD1 LEU A 54 -15.905 -13.802 -4.742 1.00 1.00 C ATOM 543 CD2 LEU A 54 -14.099 -13.066 -6.296 1.00 1.00 C ATOM 0 H LEU A 54 -13.195 -10.526 -2.152 1.00 1.00 H new ATOM 0 HA LEU A 54 -15.591 -12.230 -2.537 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.504 -11.253 -4.454 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.987 -12.005 -4.002 1.00 1.00 H new ATOM 0 HG LEU A 54 -13.842 -14.196 -4.427 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -16.065 -14.677 -5.372 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -16.153 -14.048 -3.709 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -16.543 -12.987 -5.084 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -14.347 -13.931 -6.911 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -14.679 -12.205 -6.629 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -13.036 -12.846 -6.392 1.00 1.00 H new ATOM 555 N GLY A 55 -14.880 -14.060 -1.060 1.00 1.00 N ATOM 556 CA GLY A 55 -14.605 -15.131 -0.088 1.00 1.00 C ATOM 557 C GLY A 55 -14.930 -14.805 1.385 1.00 1.00 C ATOM 558 O GLY A 55 -14.682 -15.656 2.235 1.00 1.00 O ATOM 0 H GLY A 55 -15.877 -13.953 -1.249 1.00 1.00 H new ATOM 0 HA2 GLY A 55 -15.175 -16.014 -0.379 1.00 1.00 H new ATOM 0 HA3 GLY A 55 -13.550 -15.395 -0.157 1.00 1.00 H new ATOM 562 N ASP A 56 -15.487 -13.618 1.690 1.00 1.00 N ATOM 563 CA ASP A 56 -15.909 -13.160 3.024 1.00 1.00 C ATOM 564 C ASP A 56 -17.318 -12.512 3.044 1.00 1.00 C ATOM 565 O ASP A 56 -17.824 -12.091 1.996 1.00 1.00 O ATOM 566 CB ASP A 56 -14.833 -12.182 3.517 1.00 1.00 C ATOM 567 CG ASP A 56 -14.583 -12.256 5.017 1.00 1.00 C ATOM 568 OD1 ASP A 56 -15.586 -12.249 5.770 1.00 1.00 O ATOM 569 OD2 ASP A 56 -13.387 -12.359 5.352 1.00 1.00 O ATOM 0 H ASP A 56 -15.664 -12.915 0.972 1.00 1.00 H new ATOM 0 HA ASP A 56 -16.000 -14.021 3.686 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.900 -12.386 2.991 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -15.130 -11.166 3.256 1.00 1.00 H new ATOM 574 N VAL A 57 -17.933 -12.406 4.239 1.00 1.00 N ATOM 575 CA VAL A 57 -19.261 -11.775 4.485 1.00 1.00 C ATOM 576 C VAL A 57 -19.277 -10.970 5.819 1.00 1.00 C ATOM 577 O VAL A 57 -19.884 -11.421 6.795 1.00 1.00 O ATOM 578 CB VAL A 57 -20.463 -12.768 4.369 1.00 1.00 C ATOM 579 CG1 VAL A 57 -21.815 -12.017 4.349 1.00 1.00 C ATOM 580 CG2 VAL A 57 -20.434 -13.649 3.104 1.00 1.00 C ATOM 0 H VAL A 57 -17.510 -12.768 5.094 1.00 1.00 H new ATOM 0 HA VAL A 57 -19.408 -11.062 3.673 1.00 1.00 H new ATOM 0 HB VAL A 57 -20.363 -13.404 5.248 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -22.630 -12.737 4.268 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -21.927 -11.445 5.270 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -21.842 -11.340 3.495 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -21.302 -14.309 3.100 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -20.457 -13.014 2.218 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -19.523 -14.248 3.098 1.00 1.00 H new ATOM 590 N PRO A 58 -18.598 -9.799 5.894 1.00 1.00 N ATOM 591 CA PRO A 58 -18.620 -8.887 7.048 1.00 1.00 C ATOM 592 C PRO A 58 -19.877 -7.983 7.122 1.00 1.00 C ATOM 593 O PRO A 58 -20.786 -8.079 6.297 1.00 1.00 O ATOM 594 CB PRO A 58 -17.342 -8.052 6.896 1.00 1.00 C ATOM 595 CG PRO A 58 -17.196 -7.935 5.380 1.00 1.00 C ATOM 596 CD PRO A 58 -17.741 -9.256 4.850 1.00 1.00 C ATOM 0 HA PRO A 58 -18.661 -9.452 7.979 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -17.438 -7.075 7.370 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -16.481 -8.543 7.349 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -17.758 -7.087 4.990 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -16.156 -7.788 5.090 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -18.302 -9.102 3.928 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -16.929 -9.945 4.617 1.00 1.00 H new ATOM 604 N ASP A 59 -19.925 -7.102 8.134 1.00 1.00 N ATOM 605 CA ASP A 59 -20.974 -6.099 8.389 1.00 1.00 C ATOM 606 C ASP A 59 -20.394 -4.834 9.076 1.00 1.00 C ATOM 607 O ASP A 59 -20.210 -4.806 10.292 1.00 1.00 O ATOM 608 CB ASP A 59 -22.156 -6.733 9.163 1.00 1.00 C ATOM 609 CG ASP A 59 -21.821 -7.423 10.494 1.00 1.00 C ATOM 610 OD1 ASP A 59 -20.956 -8.325 10.504 1.00 1.00 O ATOM 611 OD2 ASP A 59 -22.492 -7.062 11.484 1.00 1.00 O ATOM 0 H ASP A 59 -19.189 -7.068 8.839 1.00 1.00 H new ATOM 0 HA ASP A 59 -21.374 -5.758 7.434 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -22.891 -5.952 9.360 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -22.635 -7.464 8.512 1.00 1.00 H new ATOM 616 N GLY A 60 -20.060 -3.781 8.300 1.00 1.00 N ATOM 617 CA GLY A 60 -19.496 -2.501 8.769 1.00 1.00 C ATOM 618 C GLY A 60 -18.027 -2.207 8.400 1.00 1.00 C ATOM 619 O GLY A 60 -17.426 -1.328 9.011 1.00 1.00 O ATOM 0 H GLY A 60 -20.182 -3.802 7.288 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -20.113 -1.694 8.374 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -19.586 -2.469 9.855 1.00 1.00 H new ATOM 623 N THR A 61 -17.441 -2.908 7.415 1.00 1.00 N ATOM 624 CA THR A 61 -16.025 -2.840 6.970 1.00 1.00 C ATOM 625 C THR A 61 -15.553 -1.411 6.662 1.00 1.00 C ATOM 626 O THR A 61 -15.840 -0.905 5.578 1.00 1.00 O ATOM 627 CB THR A 61 -15.783 -3.776 5.764 1.00 1.00 C ATOM 628 OG1 THR A 61 -16.028 -5.097 6.185 1.00 1.00 O ATOM 629 CG2 THR A 61 -14.352 -3.737 5.199 1.00 1.00 C ATOM 0 H THR A 61 -17.973 -3.584 6.867 1.00 1.00 H new ATOM 0 HA THR A 61 -15.422 -3.184 7.810 1.00 1.00 H new ATOM 0 HB THR A 61 -16.449 -3.434 4.972 1.00 1.00 H new ATOM 0 HG1 THR A 61 -15.591 -5.723 5.570 1.00 1.00 H new ATOM 0 HG21 THR A 61 -14.275 -4.424 4.356 1.00 1.00 H new ATOM 0 HG22 THR A 61 -14.120 -2.726 4.865 1.00 1.00 H new ATOM 0 HG23 THR A 61 -13.646 -4.033 5.975 1.00 1.00 H new ATOM 637 N LEU A 62 -14.835 -0.769 7.599 1.00 1.00 N ATOM 638 CA LEU A 62 -14.282 0.580 7.462 1.00 1.00 C ATOM 639 C LEU A 62 -13.017 0.571 6.580 1.00 1.00 C ATOM 640 O LEU A 62 -11.904 0.258 7.013 1.00 1.00 O ATOM 641 CB LEU A 62 -14.087 1.177 8.870 1.00 1.00 C ATOM 642 CG LEU A 62 -13.626 2.646 8.970 1.00 1.00 C ATOM 643 CD1 LEU A 62 -14.589 3.589 8.237 1.00 1.00 C ATOM 644 CD2 LEU A 62 -13.540 3.065 10.445 1.00 1.00 C ATOM 0 H LEU A 62 -14.619 -1.193 8.501 1.00 1.00 H new ATOM 0 HA LEU A 62 -14.974 1.236 6.933 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -15.031 1.085 9.407 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -13.359 0.561 9.397 1.00 1.00 H new ATOM 0 HG LEU A 62 -12.646 2.719 8.499 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -14.233 4.615 8.328 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -14.636 3.314 7.183 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -15.583 3.509 8.678 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -13.214 4.103 10.510 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -14.521 2.963 10.910 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -12.824 2.427 10.963 1.00 1.00 H new ATOM 656 N VAL A 63 -13.181 1.016 5.331 1.00 1.00 N ATOM 657 CA VAL A 63 -12.123 1.097 4.314 1.00 1.00 C ATOM 658 C VAL A 63 -11.538 2.499 4.419 1.00 1.00 C ATOM 659 O VAL A 63 -12.214 3.476 4.075 1.00 1.00 O ATOM 660 CB VAL A 63 -12.671 0.816 2.893 1.00 1.00 C ATOM 661 CG1 VAL A 63 -11.606 1.030 1.794 1.00 1.00 C ATOM 662 CG2 VAL A 63 -13.181 -0.630 2.789 1.00 1.00 C ATOM 0 H VAL A 63 -14.084 1.341 4.986 1.00 1.00 H new ATOM 0 HA VAL A 63 -11.359 0.339 4.488 1.00 1.00 H new ATOM 0 HB VAL A 63 -13.483 1.525 2.735 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -12.043 0.819 0.818 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -11.258 2.063 1.821 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -10.765 0.359 1.967 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -13.562 -0.810 1.784 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -12.363 -1.320 2.996 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -13.980 -0.787 3.514 1.00 1.00 H new ATOM 672 N THR A 64 -10.299 2.587 4.933 1.00 1.00 N ATOM 673 CA THR A 64 -9.599 3.892 5.062 1.00 1.00 C ATOM 674 C THR A 64 -8.380 4.007 4.124 1.00 1.00 C ATOM 675 O THR A 64 -7.357 3.345 4.324 1.00 1.00 O ATOM 676 CB THR A 64 -9.243 4.167 6.538 1.00 1.00 C ATOM 677 OG1 THR A 64 -10.434 4.230 7.302 1.00 1.00 O ATOM 678 CG2 THR A 64 -8.512 5.498 6.739 1.00 1.00 C ATOM 0 H THR A 64 -9.761 1.786 5.264 1.00 1.00 H new ATOM 0 HA THR A 64 -10.286 4.673 4.735 1.00 1.00 H new ATOM 0 HB THR A 64 -8.587 3.356 6.854 1.00 1.00 H new ATOM 0 HG1 THR A 64 -10.209 4.324 8.251 1.00 1.00 H new ATOM 0 HG21 THR A 64 -8.289 5.634 7.797 1.00 1.00 H new ATOM 0 HG22 THR A 64 -7.582 5.492 6.170 1.00 1.00 H new ATOM 0 HG23 THR A 64 -9.144 6.316 6.393 1.00 1.00 H new ATOM 686 N VAL A 65 -8.424 4.944 3.162 1.00 1.00 N ATOM 687 CA VAL A 65 -7.311 5.203 2.218 1.00 1.00 C ATOM 688 C VAL A 65 -6.479 6.399 2.694 1.00 1.00 C ATOM 689 O VAL A 65 -6.933 7.535 2.588 1.00 1.00 O ATOM 690 CB VAL A 65 -7.764 5.339 0.733 1.00 1.00 C ATOM 691 CG1 VAL A 65 -8.820 6.409 0.403 1.00 1.00 C ATOM 692 CG2 VAL A 65 -6.542 5.641 -0.154 1.00 1.00 C ATOM 0 H VAL A 65 -9.232 5.548 3.012 1.00 1.00 H new ATOM 0 HA VAL A 65 -6.674 4.318 2.225 1.00 1.00 H new ATOM 0 HB VAL A 65 -8.240 4.378 0.539 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -9.037 6.389 -0.665 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -9.733 6.204 0.963 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -8.439 7.393 0.677 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -6.860 5.736 -1.192 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -6.079 6.573 0.170 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -5.821 4.828 -0.069 1.00 1.00 H new ATOM 702 N MET A 66 -5.227 6.170 3.120 1.00 1.00 N ATOM 703 CA MET A 66 -4.321 7.242 3.578 1.00 1.00 C ATOM 704 C MET A 66 -2.935 7.220 2.907 1.00 1.00 C ATOM 705 O MET A 66 -2.525 6.239 2.286 1.00 1.00 O ATOM 706 CB MET A 66 -4.164 7.142 5.113 1.00 1.00 C ATOM 707 CG MET A 66 -5.342 7.738 5.892 1.00 1.00 C ATOM 708 SD MET A 66 -5.036 8.324 7.580 1.00 1.00 S ATOM 709 CE MET A 66 -5.150 6.787 8.538 1.00 1.00 C ATOM 0 H MET A 66 -4.812 5.239 3.158 1.00 1.00 H new ATOM 0 HA MET A 66 -4.777 8.189 3.288 1.00 1.00 H new ATOM 0 HB2 MET A 66 -4.049 6.094 5.390 1.00 1.00 H new ATOM 0 HB3 MET A 66 -3.248 7.652 5.410 1.00 1.00 H new ATOM 0 HG2 MET A 66 -5.736 8.574 5.314 1.00 1.00 H new ATOM 0 HG3 MET A 66 -6.128 6.984 5.937 1.00 1.00 H new ATOM 0 HE1 MET A 66 -4.439 6.819 9.363 1.00 1.00 H new ATOM 0 HE2 MET A 66 -6.160 6.679 8.934 1.00 1.00 H new ATOM 0 HE3 MET A 66 -4.920 5.939 7.893 1.00 1.00 H new ATOM 719 N ALA A 67 -2.182 8.316 3.046 1.00 1.00 N ATOM 720 CA ALA A 67 -0.767 8.400 2.672 1.00 1.00 C ATOM 721 C ALA A 67 0.100 8.270 3.940 1.00 1.00 C ATOM 722 O ALA A 67 -0.139 8.980 4.915 1.00 1.00 O ATOM 723 CB ALA A 67 -0.511 9.738 1.964 1.00 1.00 C ATOM 0 H ALA A 67 -2.547 9.188 3.430 1.00 1.00 H new ATOM 0 HA ALA A 67 -0.506 7.592 1.989 1.00 1.00 H new ATOM 0 HB1 ALA A 67 0.540 9.806 1.684 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -1.130 9.800 1.069 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -0.761 10.559 2.636 1.00 1.00 H new ATOM 729 N GLY A 68 1.078 7.347 3.955 1.00 1.00 N ATOM 730 CA GLY A 68 2.127 7.220 4.994 1.00 1.00 C ATOM 731 C GLY A 68 2.596 8.578 5.552 1.00 1.00 C ATOM 732 O GLY A 68 2.466 8.802 6.751 1.00 1.00 O ATOM 0 H GLY A 68 1.167 6.643 3.222 1.00 1.00 H new ATOM 0 HA2 GLY A 68 1.746 6.610 5.813 1.00 1.00 H new ATOM 0 HA3 GLY A 68 2.983 6.692 4.574 1.00 1.00 H new ATOM 736 N ASN A 69 3.075 9.453 4.653 1.00 1.00 N ATOM 737 CA ASN A 69 3.478 10.856 4.809 1.00 1.00 C ATOM 738 C ASN A 69 4.815 10.941 5.573 1.00 1.00 C ATOM 739 O ASN A 69 4.894 10.598 6.751 1.00 1.00 O ATOM 740 CB ASN A 69 2.309 11.719 5.331 1.00 1.00 C ATOM 741 CG ASN A 69 2.347 13.190 4.905 1.00 1.00 C ATOM 742 OD1 ASN A 69 3.258 13.677 4.248 1.00 1.00 O ATOM 743 ND2 ASN A 69 1.312 13.934 5.201 1.00 1.00 N ATOM 0 H ASN A 69 3.203 9.156 3.686 1.00 1.00 H new ATOM 0 HA ASN A 69 3.697 11.310 3.843 1.00 1.00 H new ATOM 0 HB2 ASN A 69 1.372 11.281 4.986 1.00 1.00 H new ATOM 0 HB3 ASN A 69 2.301 11.672 6.420 1.00 1.00 H new ATOM 0 HD21 ASN A 69 1.273 14.903 4.885 1.00 1.00 H new ATOM 0 HD22 ASN A 69 0.544 13.545 5.748 1.00 1.00 H new ATOM 750 N ASP A 70 5.883 11.320 4.848 1.00 1.00 N ATOM 751 CA ASP A 70 7.288 11.249 5.300 1.00 1.00 C ATOM 752 C ASP A 70 7.695 9.822 5.781 1.00 1.00 C ATOM 753 O ASP A 70 8.521 9.646 6.673 1.00 1.00 O ATOM 754 CB ASP A 70 7.578 12.425 6.260 1.00 1.00 C ATOM 755 CG ASP A 70 8.375 13.574 5.628 1.00 1.00 C ATOM 756 OD1 ASP A 70 9.307 13.291 4.837 1.00 1.00 O ATOM 757 OD2 ASP A 70 7.994 14.731 5.895 1.00 1.00 O ATOM 0 H ASP A 70 5.792 11.695 3.904 1.00 1.00 H new ATOM 0 HA ASP A 70 7.966 11.392 4.458 1.00 1.00 H new ATOM 0 HB2 ASP A 70 6.631 12.817 6.632 1.00 1.00 H new ATOM 0 HB3 ASP A 70 8.128 12.048 7.122 1.00 1.00 H new ATOM 762 N GLU A 71 7.096 8.798 5.140 1.00 1.00 N ATOM 763 CA GLU A 71 7.162 7.351 5.428 1.00 1.00 C ATOM 764 C GLU A 71 6.791 6.978 6.888 1.00 1.00 C ATOM 765 O GLU A 71 7.556 6.291 7.567 1.00 1.00 O ATOM 766 CB GLU A 71 8.493 6.743 4.914 1.00 1.00 C ATOM 767 CG GLU A 71 8.653 6.883 3.389 1.00 1.00 C ATOM 768 CD GLU A 71 9.610 5.876 2.743 1.00 1.00 C ATOM 769 OE1 GLU A 71 10.835 6.012 2.939 1.00 1.00 O ATOM 770 OE2 GLU A 71 9.087 5.000 2.020 1.00 1.00 O ATOM 0 H GLU A 71 6.499 8.980 4.333 1.00 1.00 H new ATOM 0 HA GLU A 71 6.368 6.871 4.855 1.00 1.00 H new ATOM 0 HB2 GLU A 71 9.329 7.235 5.411 1.00 1.00 H new ATOM 0 HB3 GLU A 71 8.536 5.688 5.186 1.00 1.00 H new ATOM 0 HG2 GLU A 71 7.672 6.779 2.925 1.00 1.00 H new ATOM 0 HG3 GLU A 71 9.005 7.890 3.167 1.00 1.00 H new ATOM 777 N ASN A 72 5.592 7.398 7.358 1.00 1.00 N ATOM 778 CA ASN A 72 5.043 6.994 8.670 1.00 1.00 C ATOM 779 C ASN A 72 4.350 5.592 8.581 1.00 1.00 C ATOM 780 O ASN A 72 5.050 4.594 8.441 1.00 1.00 O ATOM 781 CB ASN A 72 4.327 8.201 9.353 1.00 1.00 C ATOM 782 CG ASN A 72 2.989 8.010 10.052 1.00 1.00 C ATOM 783 OD1 ASN A 72 2.890 7.734 11.230 1.00 1.00 O ATOM 784 ND2 ASN A 72 1.910 8.046 9.303 1.00 1.00 N ATOM 0 H ASN A 72 4.980 8.026 6.837 1.00 1.00 H new ATOM 0 HA ASN A 72 5.815 6.773 9.408 1.00 1.00 H new ATOM 0 HB2 ASN A 72 5.019 8.611 10.089 1.00 1.00 H new ATOM 0 HB3 ASN A 72 4.185 8.965 8.589 1.00 1.00 H new ATOM 0 HD21 ASN A 72 0.998 7.843 9.712 1.00 1.00 H new ATOM 0 HD22 ASN A 72 1.984 8.277 8.312 1.00 1.00 H new ATOM 791 N TYR A 73 3.007 5.497 8.648 1.00 1.00 N ATOM 792 CA TYR A 73 2.125 4.313 8.638 1.00 1.00 C ATOM 793 C TYR A 73 0.632 4.749 8.551 1.00 1.00 C ATOM 794 O TYR A 73 -0.142 4.601 9.501 1.00 1.00 O ATOM 795 CB TYR A 73 2.405 3.418 9.880 1.00 1.00 C ATOM 796 CG TYR A 73 3.544 2.418 9.779 1.00 1.00 C ATOM 797 CD1 TYR A 73 3.510 1.406 8.791 1.00 1.00 C ATOM 798 CD2 TYR A 73 4.627 2.478 10.692 1.00 1.00 C ATOM 799 CE1 TYR A 73 4.571 0.476 8.690 1.00 1.00 C ATOM 800 CE2 TYR A 73 5.682 1.538 10.605 1.00 1.00 C ATOM 801 CZ TYR A 73 5.657 0.536 9.595 1.00 1.00 C ATOM 802 OH TYR A 73 6.668 -0.365 9.500 1.00 1.00 O ATOM 0 H TYR A 73 2.450 6.348 8.719 1.00 1.00 H new ATOM 0 HA TYR A 73 2.339 3.714 7.753 1.00 1.00 H new ATOM 0 HB2 TYR A 73 2.606 4.072 10.728 1.00 1.00 H new ATOM 0 HB3 TYR A 73 1.493 2.867 10.111 1.00 1.00 H new ATOM 0 HD1 TYR A 73 2.672 1.343 8.112 1.00 1.00 H new ATOM 0 HD2 TYR A 73 4.647 3.242 11.455 1.00 1.00 H new ATOM 0 HE1 TYR A 73 4.552 -0.282 7.920 1.00 1.00 H new ATOM 0 HE2 TYR A 73 6.504 1.581 11.304 1.00 1.00 H new ATOM 0 HH TYR A 73 7.334 -0.183 10.195 1.00 1.00 H new ATOM 812 N SER A 74 0.193 5.269 7.389 1.00 1.00 N ATOM 813 CA SER A 74 -1.158 5.822 7.115 1.00 1.00 C ATOM 814 C SER A 74 -1.521 7.072 7.952 1.00 1.00 C ATOM 815 O SER A 74 -2.083 6.949 9.038 1.00 1.00 O ATOM 816 CB SER A 74 -2.260 4.731 7.152 1.00 1.00 C ATOM 817 OG SER A 74 -2.343 4.004 8.367 1.00 1.00 O ATOM 0 H SER A 74 0.799 5.320 6.570 1.00 1.00 H new ATOM 0 HA SER A 74 -1.110 6.189 6.090 1.00 1.00 H new ATOM 0 HB2 SER A 74 -3.224 5.203 6.962 1.00 1.00 H new ATOM 0 HB3 SER A 74 -2.083 4.029 6.337 1.00 1.00 H new ATOM 0 HG SER A 74 -1.782 4.435 9.045 1.00 1.00 H new ATOM 823 N ALA A 75 -1.206 8.284 7.449 1.00 1.00 N ATOM 824 CA ALA A 75 -1.605 9.566 8.069 1.00 1.00 C ATOM 825 C ALA A 75 -1.866 10.703 7.047 1.00 1.00 C ATOM 826 O ALA A 75 -1.076 11.645 6.940 1.00 1.00 O ATOM 827 CB ALA A 75 -0.602 9.973 9.166 1.00 1.00 C ATOM 0 H ALA A 75 -0.663 8.402 6.594 1.00 1.00 H new ATOM 0 HA ALA A 75 -2.573 9.398 8.541 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -0.913 10.919 9.610 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -0.573 9.202 9.936 1.00 1.00 H new ATOM 0 HB3 ALA A 75 0.390 10.086 8.728 1.00 1.00 H new ATOM 833 N GLU A 76 -3.010 10.626 6.337 1.00 1.00 N ATOM 834 CA GLU A 76 -3.561 11.649 5.419 1.00 1.00 C ATOM 835 C GLU A 76 -4.615 11.142 4.408 1.00 1.00 C ATOM 836 O GLU A 76 -4.282 10.655 3.321 1.00 1.00 O ATOM 837 CB GLU A 76 -2.468 12.470 4.700 1.00 1.00 C ATOM 838 CG GLU A 76 -3.016 13.741 4.051 1.00 1.00 C ATOM 839 CD GLU A 76 -1.928 14.712 3.587 1.00 1.00 C ATOM 840 OE1 GLU A 76 -1.094 15.149 4.409 1.00 1.00 O ATOM 841 OE2 GLU A 76 -2.008 15.073 2.390 1.00 1.00 O ATOM 0 H GLU A 76 -3.609 9.802 6.390 1.00 1.00 H new ATOM 0 HA GLU A 76 -4.101 12.310 6.097 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -1.691 12.738 5.416 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -1.998 11.851 3.936 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -3.633 13.465 3.196 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -3.666 14.250 4.762 1.00 1.00 H new ATOM 848 N LEU A 77 -5.894 11.321 4.765 1.00 1.00 N ATOM 849 CA LEU A 77 -7.109 11.154 4.012 1.00 1.00 C ATOM 850 C LEU A 77 -7.994 12.409 4.250 1.00 1.00 C ATOM 851 O LEU A 77 -7.742 13.194 5.175 1.00 1.00 O ATOM 852 CB LEU A 77 -7.749 9.831 4.485 1.00 1.00 C ATOM 853 CG LEU A 77 -8.612 9.689 5.753 1.00 1.00 C ATOM 854 CD1 LEU A 77 -8.207 10.567 6.922 1.00 1.00 C ATOM 855 CD2 LEU A 77 -10.088 9.950 5.460 1.00 1.00 C ATOM 0 H LEU A 77 -6.109 11.626 5.714 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.956 11.081 2.935 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -8.366 9.480 3.658 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -6.930 9.121 4.595 1.00 1.00 H new ATOM 0 HG LEU A 77 -8.441 8.655 6.053 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -8.879 10.388 7.761 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.185 10.330 7.218 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -8.265 11.615 6.627 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -10.666 9.841 6.378 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -10.209 10.962 5.073 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.444 9.234 4.720 1.00 1.00 H new ATOM 867 N ARG A 78 -9.037 12.633 3.440 1.00 1.00 N ATOM 868 CA ARG A 78 -10.065 13.677 3.715 1.00 1.00 C ATOM 869 C ARG A 78 -11.460 13.212 3.274 1.00 1.00 C ATOM 870 O ARG A 78 -11.910 13.539 2.182 1.00 1.00 O ATOM 871 CB ARG A 78 -9.606 15.022 3.102 1.00 1.00 C ATOM 872 CG ARG A 78 -9.900 16.269 3.935 1.00 1.00 C ATOM 873 CD ARG A 78 -11.401 16.530 4.132 1.00 1.00 C ATOM 874 NE ARG A 78 -11.761 17.942 3.949 1.00 1.00 N ATOM 875 CZ ARG A 78 -12.926 18.413 3.545 1.00 1.00 C ATOM 876 NH1 ARG A 78 -13.970 17.661 3.294 1.00 1.00 N ATOM 877 NH2 ARG A 78 -13.061 19.698 3.364 1.00 1.00 N ATOM 0 H ARG A 78 -9.202 12.108 2.581 1.00 1.00 H new ATOM 0 HA ARG A 78 -10.161 13.843 4.788 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -8.532 14.971 2.926 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.083 15.138 2.129 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.425 16.165 4.911 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -9.448 17.135 3.451 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -11.967 15.921 3.427 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.692 16.212 5.133 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.036 18.629 4.155 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -13.909 16.649 3.408 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -14.843 18.088 2.984 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -12.273 20.323 3.534 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -13.955 20.078 3.052 1.00 1.00 H new ATOM 891 N ASN A 79 -12.129 12.426 4.137 1.00 1.00 N ATOM 892 CA ASN A 79 -13.383 11.706 3.861 1.00 1.00 C ATOM 893 C ASN A 79 -13.106 10.345 3.165 1.00 1.00 C ATOM 894 O ASN A 79 -14.049 9.617 2.875 1.00 1.00 O ATOM 895 CB ASN A 79 -14.405 12.630 3.152 1.00 1.00 C ATOM 896 CG ASN A 79 -14.802 13.865 3.963 1.00 1.00 C ATOM 897 OD1 ASN A 79 -14.280 14.964 3.818 1.00 1.00 O ATOM 898 ND2 ASN A 79 -15.738 13.725 4.876 1.00 1.00 N ATOM 0 H ASN A 79 -11.794 12.269 5.088 1.00 1.00 H new ATOM 0 HA ASN A 79 -13.867 11.433 4.799 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -13.985 12.954 2.200 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -15.302 12.054 2.925 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -16.017 14.523 5.447 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -16.185 12.819 5.013 1.00 1.00 H new ATOM 905 N ALA A 80 -11.823 9.952 2.979 1.00 1.00 N ATOM 906 CA ALA A 80 -11.293 8.652 2.506 1.00 1.00 C ATOM 907 C ALA A 80 -11.565 7.423 3.408 1.00 1.00 C ATOM 908 O ALA A 80 -10.993 6.352 3.196 1.00 1.00 O ATOM 909 CB ALA A 80 -9.795 8.866 2.282 1.00 1.00 C ATOM 0 H ALA A 80 -11.060 10.600 3.176 1.00 1.00 H new ATOM 0 HA ALA A 80 -11.830 8.383 1.596 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -9.343 7.938 1.931 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -9.647 9.647 1.536 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -9.326 9.165 3.219 1.00 1.00 H new ATOM 915 N THR A 81 -12.420 7.616 4.414 1.00 1.00 N ATOM 916 CA THR A 81 -12.856 6.612 5.398 1.00 1.00 C ATOM 917 C THR A 81 -14.382 6.388 5.315 1.00 1.00 C ATOM 918 O THR A 81 -15.154 7.326 5.525 1.00 1.00 O ATOM 919 CB THR A 81 -12.312 6.989 6.793 1.00 1.00 C ATOM 920 OG1 THR A 81 -12.419 5.889 7.653 1.00 1.00 O ATOM 921 CG2 THR A 81 -12.940 8.205 7.486 1.00 1.00 C ATOM 0 H THR A 81 -12.853 8.525 4.577 1.00 1.00 H new ATOM 0 HA THR A 81 -12.431 5.634 5.171 1.00 1.00 H new ATOM 0 HB THR A 81 -11.281 7.281 6.593 1.00 1.00 H new ATOM 0 HG1 THR A 81 -11.538 5.476 7.767 1.00 1.00 H new ATOM 0 HG21 THR A 81 -12.465 8.357 8.456 1.00 1.00 H new ATOM 0 HG22 THR A 81 -12.794 9.091 6.868 1.00 1.00 H new ATOM 0 HG23 THR A 81 -14.007 8.032 7.627 1.00 1.00 H new ATOM 929 N ALA A 82 -14.817 5.174 4.925 1.00 1.00 N ATOM 930 CA ALA A 82 -16.216 4.721 4.865 1.00 1.00 C ATOM 931 C ALA A 82 -16.369 3.235 5.281 1.00 1.00 C ATOM 932 O ALA A 82 -15.527 2.403 4.947 1.00 1.00 O ATOM 933 CB ALA A 82 -16.767 4.974 3.449 1.00 1.00 C ATOM 0 H ALA A 82 -14.166 4.447 4.628 1.00 1.00 H new ATOM 0 HA ALA A 82 -16.799 5.295 5.585 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.803 4.641 3.397 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.717 6.039 3.224 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -16.171 4.421 2.723 1.00 1.00 H new ATOM 939 N ALA A 83 -17.483 2.908 5.941 1.00 1.00 N ATOM 940 CA ALA A 83 -17.917 1.560 6.387 1.00 1.00 C ATOM 941 C ALA A 83 -18.815 0.854 5.320 1.00 1.00 C ATOM 942 O ALA A 83 -19.644 1.508 4.686 1.00 1.00 O ATOM 943 CB ALA A 83 -18.634 1.705 7.744 1.00 1.00 C ATOM 0 H ALA A 83 -18.162 3.623 6.202 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.045 0.918 6.507 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -18.961 0.724 8.089 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -17.949 2.137 8.473 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -19.500 2.357 7.630 1.00 1.00 H new ATOM 949 N MET A 84 -18.694 -0.483 5.154 1.00 1.00 N ATOM 950 CA MET A 84 -19.287 -1.326 4.086 1.00 1.00 C ATOM 951 C MET A 84 -20.191 -2.429 4.656 1.00 1.00 C ATOM 952 O MET A 84 -19.902 -2.935 5.739 1.00 1.00 O ATOM 953 CB MET A 84 -18.143 -1.986 3.284 1.00 1.00 C ATOM 954 CG MET A 84 -17.584 -1.173 2.114 1.00 1.00 C ATOM 955 SD MET A 84 -16.783 0.415 2.455 1.00 1.00 S ATOM 956 CE MET A 84 -18.138 1.538 2.029 1.00 1.00 C ATOM 0 H MET A 84 -18.142 -1.041 5.806 1.00 1.00 H new ATOM 0 HA MET A 84 -19.899 -0.685 3.451 1.00 1.00 H new ATOM 0 HB2 MET A 84 -17.325 -2.206 3.970 1.00 1.00 H new ATOM 0 HB3 MET A 84 -18.501 -2.941 2.898 1.00 1.00 H new ATOM 0 HG2 MET A 84 -16.862 -1.801 1.592 1.00 1.00 H new ATOM 0 HG3 MET A 84 -18.404 -0.986 1.421 1.00 1.00 H new ATOM 0 HE1 MET A 84 -18.173 2.356 2.749 1.00 1.00 H new ATOM 0 HE2 MET A 84 -17.976 1.941 1.029 1.00 1.00 H new ATOM 0 HE3 MET A 84 -19.082 0.994 2.052 1.00 1.00 H new ATOM 966 N LYS A 85 -21.241 -2.842 3.916 1.00 1.00 N ATOM 967 CA LYS A 85 -22.295 -3.758 4.410 1.00 1.00 C ATOM 968 C LYS A 85 -21.816 -5.221 4.378 1.00 1.00 C ATOM 969 O LYS A 85 -20.818 -5.529 5.016 1.00 1.00 O ATOM 970 CB LYS A 85 -23.618 -3.469 3.674 1.00 1.00 C ATOM 971 CG LYS A 85 -24.215 -2.112 4.081 1.00 1.00 C ATOM 972 CD LYS A 85 -25.649 -1.902 3.585 1.00 1.00 C ATOM 973 CE LYS A 85 -26.620 -2.813 4.334 1.00 1.00 C ATOM 974 NZ LYS A 85 -27.937 -2.897 3.673 1.00 1.00 N ATOM 0 H LYS A 85 -21.384 -2.547 2.950 1.00 1.00 H new ATOM 0 HA LYS A 85 -22.503 -3.575 5.464 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -23.445 -3.482 2.598 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -24.335 -4.261 3.891 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -24.199 -2.028 5.168 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -23.583 -1.314 3.690 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -25.938 -0.861 3.725 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -25.703 -2.106 2.516 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -26.191 -3.812 4.411 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -26.750 -2.443 5.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -28.560 -3.526 4.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -28.361 -1.949 3.622 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -27.819 -3.275 2.711 1.00 1.00 H new ATOM 987 N ASN A 86 -22.451 -6.096 3.589 1.00 1.00 N ATOM 988 CA ASN A 86 -22.170 -7.539 3.467 1.00 1.00 C ATOM 989 C ASN A 86 -20.727 -7.897 3.023 1.00 1.00 C ATOM 990 O ASN A 86 -20.390 -9.072 3.041 1.00 1.00 O ATOM 991 CB ASN A 86 -23.161 -8.179 2.466 1.00 1.00 C ATOM 992 CG ASN A 86 -24.607 -7.703 2.416 1.00 1.00 C ATOM 993 OD1 ASN A 86 -25.215 -7.245 3.368 1.00 1.00 O ATOM 994 ND2 ASN A 86 -25.196 -7.770 1.247 1.00 1.00 N ATOM 0 H ASN A 86 -23.218 -5.804 2.983 1.00 1.00 H new ATOM 0 HA ASN A 86 -22.287 -7.935 4.476 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -22.742 -8.050 1.468 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -23.179 -9.250 2.668 1.00 1.00 H new ATOM 0 HD21 ASN A 86 -26.155 -7.440 1.140 1.00 1.00 H new ATOM 0 HD22 ASN A 86 -24.695 -8.152 0.445 1.00 1.00 H new ATOM 1001 N GLN A 87 -19.912 -6.899 2.628 1.00 1.00 N ATOM 1002 CA GLN A 87 -18.571 -6.876 2.000 1.00 1.00 C ATOM 1003 C GLN A 87 -18.461 -5.855 0.831 1.00 1.00 C ATOM 1004 O GLN A 87 -17.428 -5.848 0.158 1.00 1.00 O ATOM 1005 CB GLN A 87 -18.089 -8.255 1.477 1.00 1.00 C ATOM 1006 CG GLN A 87 -18.655 -8.721 0.127 1.00 1.00 C ATOM 1007 CD GLN A 87 -19.906 -9.584 0.213 1.00 1.00 C ATOM 1008 OE1 GLN A 87 -21.014 -9.123 -0.015 1.00 1.00 O ATOM 1009 NE2 GLN A 87 -19.789 -10.863 0.507 1.00 1.00 N ATOM 0 H GLN A 87 -20.230 -5.939 2.764 1.00 1.00 H new ATOM 0 HA GLN A 87 -17.923 -6.569 2.821 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -17.002 -8.227 1.398 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -18.335 -9.007 2.226 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -18.880 -7.842 -0.478 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -17.882 -9.281 -0.399 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -18.869 -11.260 0.699 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -20.618 -11.456 0.542 1.00 1.00 H new ATOM 1018 N VAL A 88 -19.480 -5.001 0.568 1.00 1.00 N ATOM 1019 CA VAL A 88 -19.565 -4.147 -0.645 1.00 1.00 C ATOM 1020 C VAL A 88 -19.730 -2.652 -0.307 1.00 1.00 C ATOM 1021 O VAL A 88 -20.425 -2.295 0.654 1.00 1.00 O ATOM 1022 CB VAL A 88 -20.685 -4.655 -1.606 1.00 1.00 C ATOM 1023 CG1 VAL A 88 -20.740 -3.882 -2.944 1.00 1.00 C ATOM 1024 CG2 VAL A 88 -20.517 -6.147 -1.965 1.00 1.00 C ATOM 0 H VAL A 88 -20.274 -4.884 1.197 1.00 1.00 H new ATOM 0 HA VAL A 88 -18.612 -4.233 -1.167 1.00 1.00 H new ATOM 0 HB VAL A 88 -21.605 -4.491 -1.045 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -21.540 -4.286 -3.565 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -20.930 -2.827 -2.747 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -19.788 -3.988 -3.465 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -21.320 -6.453 -2.635 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -19.556 -6.297 -2.458 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -20.556 -6.747 -1.056 1.00 1.00 H new ATOM 1034 N ALA A 89 -19.112 -1.794 -1.140 1.00 1.00 N ATOM 1035 CA ALA A 89 -19.207 -0.321 -1.135 1.00 1.00 C ATOM 1036 C ALA A 89 -20.183 0.243 -2.201 1.00 1.00 C ATOM 1037 O ALA A 89 -20.292 -0.273 -3.315 1.00 1.00 O ATOM 1038 CB ALA A 89 -17.815 0.313 -1.315 1.00 1.00 C ATOM 0 H ALA A 89 -18.495 -2.130 -1.880 1.00 1.00 H new ATOM 0 HA ALA A 89 -19.616 -0.052 -0.161 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -17.906 1.399 -1.309 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -17.164 -0.001 -0.499 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -17.388 -0.010 -2.265 1.00 1.00 H new ATOM 1044 N ARG A 90 -20.846 1.360 -1.849 1.00 1.00 N ATOM 1045 CA ARG A 90 -21.759 2.175 -2.679 1.00 1.00 C ATOM 1046 C ARG A 90 -21.161 3.576 -2.941 1.00 1.00 C ATOM 1047 O ARG A 90 -21.096 4.394 -2.028 1.00 1.00 O ATOM 1048 CB ARG A 90 -23.119 2.241 -1.956 1.00 1.00 C ATOM 1049 CG ARG A 90 -24.338 2.732 -2.740 1.00 1.00 C ATOM 1050 CD ARG A 90 -25.437 1.669 -2.624 1.00 1.00 C ATOM 1051 NE ARG A 90 -25.105 0.462 -3.408 1.00 1.00 N ATOM 1052 CZ ARG A 90 -25.423 0.195 -4.663 1.00 1.00 C ATOM 1053 NH1 ARG A 90 -26.244 0.923 -5.375 1.00 1.00 N ATOM 1054 NH2 ARG A 90 -24.899 -0.843 -5.247 1.00 1.00 N ATOM 0 H ARG A 90 -20.752 1.746 -0.910 1.00 1.00 H new ATOM 0 HA ARG A 90 -21.898 1.721 -3.660 1.00 1.00 H new ATOM 0 HB2 ARG A 90 -23.345 1.242 -1.583 1.00 1.00 H new ATOM 0 HB3 ARG A 90 -23.001 2.887 -1.086 1.00 1.00 H new ATOM 0 HG2 ARG A 90 -24.687 3.685 -2.344 1.00 1.00 H new ATOM 0 HG3 ARG A 90 -24.077 2.898 -3.785 1.00 1.00 H new ATOM 0 HD2 ARG A 90 -25.574 1.398 -1.577 1.00 1.00 H new ATOM 0 HD3 ARG A 90 -26.383 2.082 -2.973 1.00 1.00 H new ATOM 0 HE ARG A 90 -24.564 -0.253 -2.921 1.00 1.00 H new ATOM 0 HH11 ARG A 90 -26.679 1.750 -4.965 1.00 1.00 H new ATOM 0 HH12 ARG A 90 -26.449 0.664 -6.340 1.00 1.00 H new ATOM 0 HH21 ARG A 90 -24.250 -1.442 -4.737 1.00 1.00 H new ATOM 0 HH22 ARG A 90 -25.138 -1.058 -6.215 1.00 1.00 H new ATOM 1068 N PHE A 91 -20.763 3.840 -4.195 1.00 1.00 N ATOM 1069 CA PHE A 91 -20.177 5.077 -4.753 1.00 1.00 C ATOM 1070 C PHE A 91 -19.045 5.747 -3.933 1.00 1.00 C ATOM 1071 O PHE A 91 -17.884 5.590 -4.303 1.00 1.00 O ATOM 1072 CB PHE A 91 -21.312 6.050 -5.143 1.00 1.00 C ATOM 1073 CG PHE A 91 -20.977 7.168 -6.122 1.00 1.00 C ATOM 1074 CD1 PHE A 91 -20.162 8.263 -5.743 1.00 1.00 C ATOM 1075 CD2 PHE A 91 -21.518 7.126 -7.427 1.00 1.00 C ATOM 1076 CE1 PHE A 91 -19.884 9.297 -6.662 1.00 1.00 C ATOM 1077 CE2 PHE A 91 -21.246 8.166 -8.345 1.00 1.00 C ATOM 1078 CZ PHE A 91 -20.430 9.253 -7.962 1.00 1.00 C ATOM 0 H PHE A 91 -20.850 3.125 -4.917 1.00 1.00 H new ATOM 0 HA PHE A 91 -19.631 4.770 -5.645 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -22.126 5.463 -5.569 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -21.692 6.506 -4.229 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -19.751 8.307 -4.745 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -22.142 6.296 -7.724 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -19.253 10.123 -6.370 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -21.663 8.129 -9.341 1.00 1.00 H new ATOM 0 HZ PHE A 91 -20.224 10.049 -8.663 1.00 1.00 H new ATOM 1088 N ASN A 92 -19.407 6.486 -2.870 1.00 1.00 N ATOM 1089 CA ASN A 92 -18.632 7.358 -1.972 1.00 1.00 C ATOM 1090 C ASN A 92 -17.602 8.353 -2.603 1.00 1.00 C ATOM 1091 O ASN A 92 -17.164 8.241 -3.747 1.00 1.00 O ATOM 1092 CB ASN A 92 -18.019 6.477 -0.861 1.00 1.00 C ATOM 1093 CG ASN A 92 -19.034 5.844 0.077 1.00 1.00 C ATOM 1094 OD1 ASN A 92 -19.931 6.474 0.614 1.00 1.00 O ATOM 1095 ND2 ASN A 92 -18.885 4.574 0.369 1.00 1.00 N ATOM 0 H ASN A 92 -20.386 6.484 -2.583 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.350 8.074 -1.573 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.431 5.686 -1.326 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.330 7.083 -0.273 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -19.514 4.127 1.036 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -18.140 4.033 -0.071 1.00 1.00 H new ATOM 1102 N ASP A 93 -17.233 9.369 -1.806 1.00 1.00 N ATOM 1103 CA ASP A 93 -16.387 10.526 -2.155 1.00 1.00 C ATOM 1104 C ASP A 93 -14.863 10.240 -2.037 1.00 1.00 C ATOM 1105 O ASP A 93 -14.139 10.432 -3.011 1.00 1.00 O ATOM 1106 CB ASP A 93 -16.790 11.705 -1.243 1.00 1.00 C ATOM 1107 CG ASP A 93 -18.258 12.191 -1.320 1.00 1.00 C ATOM 1108 OD1 ASP A 93 -19.160 11.352 -1.549 1.00 1.00 O ATOM 1109 OD2 ASP A 93 -18.469 13.390 -1.033 1.00 1.00 O ATOM 0 H ASP A 93 -17.538 9.408 -0.833 1.00 1.00 H new ATOM 0 HA ASP A 93 -16.556 10.764 -3.205 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -16.582 11.420 -0.212 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -16.142 12.550 -1.477 1.00 1.00 H new ATOM 1114 N LEU A 94 -14.431 9.776 -0.845 1.00 1.00 N ATOM 1115 CA LEU A 94 -13.127 9.264 -0.373 1.00 1.00 C ATOM 1116 C LEU A 94 -11.845 10.010 -0.861 1.00 1.00 C ATOM 1117 O LEU A 94 -11.582 10.007 -2.074 1.00 1.00 O ATOM 1118 CB LEU A 94 -13.113 7.739 -0.645 1.00 1.00 C ATOM 1119 CG LEU A 94 -14.233 6.880 0.000 1.00 1.00 C ATOM 1120 CD1 LEU A 94 -14.602 5.694 -0.893 1.00 1.00 C ATOM 1121 CD2 LEU A 94 -13.845 6.344 1.380 1.00 1.00 C ATOM 0 H LEU A 94 -15.096 9.749 -0.072 1.00 1.00 H new ATOM 0 HA LEU A 94 -13.058 9.476 0.694 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -13.156 7.591 -1.724 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -12.154 7.347 -0.307 1.00 1.00 H new ATOM 0 HG LEU A 94 -15.088 7.546 0.114 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -15.389 5.110 -0.416 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -14.956 6.060 -1.857 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -13.724 5.065 -1.044 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -14.665 5.751 1.784 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -12.955 5.720 1.291 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -13.637 7.179 2.049 1.00 1.00 H new ATOM 1133 N ARG A 95 -10.981 10.586 0.039 1.00 1.00 N ATOM 1134 CA ARG A 95 -9.880 11.464 -0.467 1.00 1.00 C ATOM 1135 C ARG A 95 -8.485 10.981 -0.055 1.00 1.00 C ATOM 1136 O ARG A 95 -8.137 11.085 1.116 1.00 1.00 O ATOM 1137 CB ARG A 95 -10.174 12.898 0.005 1.00 1.00 C ATOM 1138 CG ARG A 95 -9.915 14.108 -0.894 1.00 1.00 C ATOM 1139 CD ARG A 95 -8.489 14.639 -0.715 1.00 1.00 C ATOM 1140 NE ARG A 95 -8.341 16.032 -0.240 1.00 1.00 N ATOM 1141 CZ ARG A 95 -8.544 17.215 -0.791 1.00 1.00 C ATOM 1142 NH1 ARG A 95 -9.066 17.437 -1.965 1.00 1.00 N ATOM 1143 NH2 ARG A 95 -8.147 18.256 -0.123 1.00 1.00 N ATOM 0 H ARG A 95 -11.021 10.468 1.051 1.00 1.00 H new ATOM 0 HA ARG A 95 -9.860 11.428 -1.556 1.00 1.00 H new ATOM 0 HB2 ARG A 95 -11.228 12.930 0.282 1.00 1.00 H new ATOM 0 HB3 ARG A 95 -9.600 13.054 0.918 1.00 1.00 H new ATOM 0 HG2 ARG A 95 -10.074 13.830 -1.936 1.00 1.00 H new ATOM 0 HG3 ARG A 95 -10.631 14.896 -0.662 1.00 1.00 H new ATOM 0 HD2 ARG A 95 -7.971 13.986 -0.013 1.00 1.00 H new ATOM 0 HD3 ARG A 95 -7.973 14.552 -1.671 1.00 1.00 H new ATOM 0 HE ARG A 95 -8.010 16.092 0.723 1.00 1.00 H new ATOM 0 HH11 ARG A 95 -9.360 16.654 -2.549 1.00 1.00 H new ATOM 0 HH12 ARG A 95 -9.180 18.394 -2.300 1.00 1.00 H new ATOM 0 HH21 ARG A 95 -7.700 18.138 0.786 1.00 1.00 H new ATOM 0 HH22 ARG A 95 -8.282 19.191 -0.508 1.00 1.00 H new ATOM 1157 N PHE A 96 -7.654 10.589 -1.027 1.00 1.00 N ATOM 1158 CA PHE A 96 -6.328 9.981 -0.824 1.00 1.00 C ATOM 1159 C PHE A 96 -5.211 11.028 -1.008 1.00 1.00 C ATOM 1160 O PHE A 96 -5.287 11.844 -1.930 1.00 1.00 O ATOM 1161 CB PHE A 96 -6.188 8.727 -1.707 1.00 1.00 C ATOM 1162 CG PHE A 96 -5.631 8.801 -3.119 1.00 1.00 C ATOM 1163 CD1 PHE A 96 -6.436 9.219 -4.204 1.00 1.00 C ATOM 1164 CD2 PHE A 96 -4.327 8.318 -3.367 1.00 1.00 C ATOM 1165 CE1 PHE A 96 -5.931 9.181 -5.524 1.00 1.00 C ATOM 1166 CE2 PHE A 96 -3.818 8.280 -4.680 1.00 1.00 C ATOM 1167 CZ PHE A 96 -4.616 8.722 -5.754 1.00 1.00 C ATOM 0 H PHE A 96 -7.892 10.689 -2.014 1.00 1.00 H new ATOM 0 HA PHE A 96 -6.223 9.637 0.205 1.00 1.00 H new ATOM 0 HB2 PHE A 96 -5.563 8.023 -1.158 1.00 1.00 H new ATOM 0 HB3 PHE A 96 -7.180 8.282 -1.782 1.00 1.00 H new ATOM 0 HD1 PHE A 96 -7.442 9.569 -4.023 1.00 1.00 H new ATOM 0 HD2 PHE A 96 -3.716 7.976 -2.545 1.00 1.00 H new ATOM 0 HE1 PHE A 96 -6.547 9.501 -6.351 1.00 1.00 H new ATOM 0 HE2 PHE A 96 -2.819 7.913 -4.863 1.00 1.00 H new ATOM 0 HZ PHE A 96 -4.219 8.710 -6.758 1.00 1.00 H new ATOM 1177 N VAL A 97 -4.205 11.023 -0.104 1.00 1.00 N ATOM 1178 CA VAL A 97 -3.145 12.071 -0.024 1.00 1.00 C ATOM 1179 C VAL A 97 -3.853 13.470 -0.002 1.00 1.00 C ATOM 1180 O VAL A 97 -3.644 14.319 -0.869 1.00 1.00 O ATOM 1181 CB VAL A 97 -2.096 11.892 -1.173 1.00 1.00 C ATOM 1182 CG1 VAL A 97 -0.742 12.488 -0.770 1.00 1.00 C ATOM 1183 CG2 VAL A 97 -1.858 10.455 -1.706 1.00 1.00 C ATOM 0 H VAL A 97 -4.099 10.290 0.598 1.00 1.00 H new ATOM 0 HA VAL A 97 -2.562 11.981 0.893 1.00 1.00 H new ATOM 0 HB VAL A 97 -2.561 12.429 -2.000 1.00 1.00 H new ATOM 0 HG11 VAL A 97 -0.028 12.353 -1.583 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -0.860 13.552 -0.564 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.374 11.984 0.124 1.00 1.00 H new ATOM 0 HG21 VAL A 97 -1.109 10.480 -2.497 1.00 1.00 H new ATOM 0 HG22 VAL A 97 -1.507 9.819 -0.893 1.00 1.00 H new ATOM 0 HG23 VAL A 97 -2.791 10.055 -2.103 1.00 1.00 H new ATOM 1193 N GLY A 98 -4.750 13.654 0.982 1.00 1.00 N ATOM 1194 CA GLY A 98 -5.718 14.769 1.058 1.00 1.00 C ATOM 1195 C GLY A 98 -5.500 16.122 1.750 1.00 1.00 C ATOM 1196 O GLY A 98 -6.394 16.967 1.571 1.00 1.00 O ATOM 0 H GLY A 98 -4.826 13.013 1.772 1.00 1.00 H new ATOM 0 HA2 GLY A 98 -5.971 15.007 0.025 1.00 1.00 H new ATOM 0 HA3 GLY A 98 -6.613 14.348 1.516 1.00 1.00 H new ATOM 1200 N ARG A 99 -4.418 16.388 2.521 1.00 1.00 N ATOM 1201 CA ARG A 99 -4.206 17.669 3.253 1.00 1.00 C ATOM 1202 C ARG A 99 -2.746 18.168 3.415 1.00 1.00 C ATOM 1203 O ARG A 99 -2.340 18.641 4.476 1.00 1.00 O ATOM 1204 CB ARG A 99 -5.029 17.683 4.558 1.00 1.00 C ATOM 1205 CG ARG A 99 -5.437 19.118 4.910 1.00 1.00 C ATOM 1206 CD ARG A 99 -4.690 19.759 6.090 1.00 1.00 C ATOM 1207 NE ARG A 99 -5.479 19.724 7.332 1.00 1.00 N ATOM 1208 CZ ARG A 99 -5.018 19.651 8.566 1.00 1.00 C ATOM 1209 NH1 ARG A 99 -3.749 19.620 8.851 1.00 1.00 N ATOM 1210 NH2 ARG A 99 -5.851 19.602 9.562 1.00 1.00 N ATOM 0 H ARG A 99 -3.661 15.718 2.656 1.00 1.00 H new ATOM 0 HA ARG A 99 -4.592 18.439 2.585 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -5.918 17.062 4.443 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -4.443 17.254 5.371 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -5.290 19.743 4.029 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -6.504 19.127 5.133 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -3.746 19.237 6.247 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -4.446 20.793 5.845 1.00 1.00 H new ATOM 0 HE ARG A 99 -6.493 19.760 7.227 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -3.057 19.653 8.102 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -3.446 19.563 9.823 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -6.856 19.620 9.388 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -5.500 19.545 10.518 1.00 1.00 H new ATOM 1224 N SER A 100 -2.031 18.169 2.287 1.00 1.00 N ATOM 1225 CA SER A 100 -0.692 18.711 1.960 1.00 1.00 C ATOM 1226 C SER A 100 0.040 17.806 0.963 1.00 1.00 C ATOM 1227 O SER A 100 -0.023 18.115 -0.226 1.00 1.00 O ATOM 1228 CB SER A 100 0.164 19.147 3.159 1.00 1.00 C ATOM 1229 OG SER A 100 1.159 20.093 2.768 1.00 1.00 O ATOM 0 H SER A 100 -2.429 17.728 1.458 1.00 1.00 H new ATOM 0 HA SER A 100 -0.877 19.664 1.463 1.00 1.00 H new ATOM 0 HB2 SER A 100 -0.476 19.584 3.926 1.00 1.00 H new ATOM 0 HB3 SER A 100 0.643 18.274 3.603 1.00 1.00 H new ATOM 0 HG SER A 100 1.688 20.354 3.551 1.00 1.00 H new ATOM 1235 N GLY A 101 0.681 16.706 1.397 1.00 1.00 N ATOM 1236 CA GLY A 101 1.345 15.715 0.528 1.00 1.00 C ATOM 1237 C GLY A 101 2.848 15.963 0.296 1.00 1.00 C ATOM 1238 O GLY A 101 3.224 16.551 -0.717 1.00 1.00 O ATOM 0 H GLY A 101 0.754 16.475 2.388 1.00 1.00 H new ATOM 0 HA2 GLY A 101 1.218 14.725 0.966 1.00 1.00 H new ATOM 0 HA3 GLY A 101 0.840 15.703 -0.438 1.00 1.00 H new ATOM 1242 N ARG A 102 3.697 15.468 1.219 1.00 1.00 N ATOM 1243 CA ARG A 102 5.174 15.605 1.306 1.00 1.00 C ATOM 1244 C ARG A 102 5.974 15.409 -0.002 1.00 1.00 C ATOM 1245 O ARG A 102 6.734 16.287 -0.398 1.00 1.00 O ATOM 1246 CB ARG A 102 5.668 14.664 2.430 1.00 1.00 C ATOM 1247 CG ARG A 102 7.178 14.404 2.434 1.00 1.00 C ATOM 1248 CD ARG A 102 7.552 12.943 2.148 1.00 1.00 C ATOM 1249 NE ARG A 102 8.886 12.866 1.533 1.00 1.00 N ATOM 1250 CZ ARG A 102 9.311 12.019 0.609 1.00 1.00 C ATOM 1251 NH1 ARG A 102 8.624 10.963 0.258 1.00 1.00 N ATOM 1252 NH2 ARG A 102 10.458 12.210 0.021 1.00 1.00 N ATOM 0 H ARG A 102 3.339 14.911 1.995 1.00 1.00 H new ATOM 0 HA ARG A 102 5.373 16.653 1.532 1.00 1.00 H new ATOM 0 HB2 ARG A 102 5.385 15.091 3.392 1.00 1.00 H new ATOM 0 HB3 ARG A 102 5.150 13.709 2.339 1.00 1.00 H new ATOM 0 HG2 ARG A 102 7.650 15.044 1.688 1.00 1.00 H new ATOM 0 HG3 ARG A 102 7.585 14.691 3.404 1.00 1.00 H new ATOM 0 HD2 ARG A 102 7.538 12.369 3.075 1.00 1.00 H new ATOM 0 HD3 ARG A 102 6.812 12.495 1.485 1.00 1.00 H new ATOM 0 HE ARG A 102 9.568 13.550 1.859 1.00 1.00 H new ATOM 0 HH11 ARG A 102 7.726 10.768 0.701 1.00 1.00 H new ATOM 0 HH12 ARG A 102 8.986 10.334 -0.459 1.00 1.00 H new ATOM 0 HH21 ARG A 102 11.032 13.015 0.272 1.00 1.00 H new ATOM 0 HH22 ARG A 102 10.782 11.555 -0.691 1.00 1.00 H new ATOM 1266 N GLY A 103 5.859 14.214 -0.597 1.00 1.00 N ATOM 1267 CA GLY A 103 6.625 13.744 -1.761 1.00 1.00 C ATOM 1268 C GLY A 103 5.899 12.616 -2.494 1.00 1.00 C ATOM 1269 O GLY A 103 5.276 12.889 -3.510 1.00 1.00 O ATOM 0 H GLY A 103 5.197 13.514 -0.264 1.00 1.00 H new ATOM 0 HA2 GLY A 103 6.793 14.575 -2.446 1.00 1.00 H new ATOM 0 HA3 GLY A 103 7.605 13.396 -1.436 1.00 1.00 H new ATOM 1273 N LYS A 104 5.983 11.368 -1.988 1.00 1.00 N ATOM 1274 CA LYS A 104 5.229 10.182 -2.474 1.00 1.00 C ATOM 1275 C LYS A 104 5.039 9.065 -1.419 1.00 1.00 C ATOM 1276 O LYS A 104 5.946 8.264 -1.190 1.00 1.00 O ATOM 1277 CB LYS A 104 5.815 9.618 -3.786 1.00 1.00 C ATOM 1278 CG LYS A 104 7.345 9.503 -3.890 1.00 1.00 C ATOM 1279 CD LYS A 104 7.901 10.284 -5.094 1.00 1.00 C ATOM 1280 CE LYS A 104 9.429 10.305 -5.146 1.00 1.00 C ATOM 1281 NZ LYS A 104 9.972 9.196 -5.958 1.00 1.00 N ATOM 0 H LYS A 104 6.596 11.145 -1.204 1.00 1.00 H new ATOM 0 HA LYS A 104 4.228 10.561 -2.681 1.00 1.00 H new ATOM 0 HB2 LYS A 104 5.392 8.626 -3.944 1.00 1.00 H new ATOM 0 HB3 LYS A 104 5.469 10.247 -4.606 1.00 1.00 H new ATOM 0 HG2 LYS A 104 7.800 9.878 -2.973 1.00 1.00 H new ATOM 0 HG3 LYS A 104 7.625 8.453 -3.978 1.00 1.00 H new ATOM 0 HD2 LYS A 104 7.519 9.841 -6.014 1.00 1.00 H new ATOM 0 HD3 LYS A 104 7.531 11.309 -5.056 1.00 1.00 H new ATOM 0 HE2 LYS A 104 9.764 11.256 -5.561 1.00 1.00 H new ATOM 0 HE3 LYS A 104 9.827 10.241 -4.133 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 11.011 9.248 -5.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 9.674 8.288 -5.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 9.614 9.271 -6.931 1.00 1.00 H new ATOM 1294 N SER A 105 3.867 9.027 -0.762 1.00 1.00 N ATOM 1295 CA SER A 105 3.414 7.984 0.181 1.00 1.00 C ATOM 1296 C SER A 105 2.020 7.408 -0.172 1.00 1.00 C ATOM 1297 O SER A 105 1.089 8.174 -0.424 1.00 1.00 O ATOM 1298 CB SER A 105 3.358 8.583 1.587 1.00 1.00 C ATOM 1299 OG SER A 105 4.517 8.321 2.354 1.00 1.00 O ATOM 0 H SER A 105 3.170 9.763 -0.880 1.00 1.00 H new ATOM 0 HA SER A 105 4.127 7.162 0.121 1.00 1.00 H new ATOM 0 HB2 SER A 105 3.218 9.661 1.510 1.00 1.00 H new ATOM 0 HB3 SER A 105 2.488 8.185 2.109 1.00 1.00 H new ATOM 0 HG SER A 105 4.938 9.168 2.611 1.00 1.00 H new ATOM 1305 N PHE A 106 1.861 6.073 -0.102 1.00 1.00 N ATOM 1306 CA PHE A 106 0.594 5.337 -0.273 1.00 1.00 C ATOM 1307 C PHE A 106 0.411 4.248 0.815 1.00 1.00 C ATOM 1308 O PHE A 106 1.183 3.289 0.860 1.00 1.00 O ATOM 1309 CB PHE A 106 0.552 4.752 -1.702 1.00 1.00 C ATOM 1310 CG PHE A 106 -0.798 4.586 -2.371 1.00 1.00 C ATOM 1311 CD1 PHE A 106 -1.817 3.810 -1.769 1.00 1.00 C ATOM 1312 CD2 PHE A 106 -1.029 5.181 -3.632 1.00 1.00 C ATOM 1313 CE1 PHE A 106 -3.057 3.639 -2.420 1.00 1.00 C ATOM 1314 CE2 PHE A 106 -2.274 5.005 -4.283 1.00 1.00 C ATOM 1315 CZ PHE A 106 -3.289 4.238 -3.676 1.00 1.00 C ATOM 0 H PHE A 106 2.647 5.450 0.084 1.00 1.00 H new ATOM 0 HA PHE A 106 -0.245 6.021 -0.147 1.00 1.00 H new ATOM 0 HB2 PHE A 106 1.163 5.390 -2.340 1.00 1.00 H new ATOM 0 HB3 PHE A 106 1.032 3.774 -1.675 1.00 1.00 H new ATOM 0 HD1 PHE A 106 -1.645 3.347 -0.808 1.00 1.00 H new ATOM 0 HD2 PHE A 106 -0.255 5.771 -4.100 1.00 1.00 H new ATOM 0 HE1 PHE A 106 -3.832 3.047 -1.955 1.00 1.00 H new ATOM 0 HE2 PHE A 106 -2.446 5.460 -5.247 1.00 1.00 H new ATOM 0 HZ PHE A 106 -4.240 4.109 -4.171 1.00 1.00 H new ATOM 1325 N THR A 107 -0.589 4.391 1.702 1.00 1.00 N ATOM 1326 CA THR A 107 -0.967 3.413 2.756 1.00 1.00 C ATOM 1327 C THR A 107 -2.504 3.289 2.882 1.00 1.00 C ATOM 1328 O THR A 107 -3.144 3.820 3.799 1.00 1.00 O ATOM 1329 CB THR A 107 -0.304 3.720 4.126 1.00 1.00 C ATOM 1330 OG1 THR A 107 1.052 4.097 3.992 1.00 1.00 O ATOM 1331 CG2 THR A 107 -0.312 2.487 5.042 1.00 1.00 C ATOM 0 H THR A 107 -1.183 5.220 1.711 1.00 1.00 H new ATOM 0 HA THR A 107 -0.578 2.446 2.438 1.00 1.00 H new ATOM 0 HB THR A 107 -0.890 4.536 4.549 1.00 1.00 H new ATOM 0 HG1 THR A 107 1.429 4.282 4.877 1.00 1.00 H new ATOM 0 HG21 THR A 107 0.160 2.737 5.992 1.00 1.00 H new ATOM 0 HG22 THR A 107 -1.340 2.172 5.219 1.00 1.00 H new ATOM 0 HG23 THR A 107 0.239 1.676 4.566 1.00 1.00 H new ATOM 1339 N LEU A 108 -3.111 2.582 1.917 1.00 1.00 N ATOM 1340 CA LEU A 108 -4.530 2.211 1.900 1.00 1.00 C ATOM 1341 C LEU A 108 -4.787 1.055 2.892 1.00 1.00 C ATOM 1342 O LEU A 108 -4.353 -0.069 2.646 1.00 1.00 O ATOM 1343 CB LEU A 108 -4.934 1.893 0.447 1.00 1.00 C ATOM 1344 CG LEU A 108 -6.435 1.752 0.123 1.00 1.00 C ATOM 1345 CD1 LEU A 108 -6.643 2.124 -1.351 1.00 1.00 C ATOM 1346 CD2 LEU A 108 -6.967 0.334 0.356 1.00 1.00 C ATOM 0 H LEU A 108 -2.607 2.242 1.098 1.00 1.00 H new ATOM 0 HA LEU A 108 -5.161 3.033 2.238 1.00 1.00 H new ATOM 0 HB2 LEU A 108 -4.528 2.678 -0.191 1.00 1.00 H new ATOM 0 HB3 LEU A 108 -4.443 0.963 0.161 1.00 1.00 H new ATOM 0 HG LEU A 108 -6.984 2.414 0.793 1.00 1.00 H new ATOM 0 HD11 LEU A 108 -7.699 2.032 -1.604 1.00 1.00 H new ATOM 0 HD12 LEU A 108 -6.319 3.151 -1.516 1.00 1.00 H new ATOM 0 HD13 LEU A 108 -6.059 1.453 -1.981 1.00 1.00 H new ATOM 0 HD21 LEU A 108 -8.028 0.299 0.111 1.00 1.00 H new ATOM 0 HD22 LEU A 108 -6.424 -0.367 -0.278 1.00 1.00 H new ATOM 0 HD23 LEU A 108 -6.827 0.060 1.402 1.00 1.00 H new ATOM 1358 N THR A 109 -5.468 1.337 4.012 1.00 1.00 N ATOM 1359 CA THR A 109 -5.716 0.385 5.127 1.00 1.00 C ATOM 1360 C THR A 109 -7.217 0.111 5.333 1.00 1.00 C ATOM 1361 O THR A 109 -7.992 0.973 5.752 1.00 1.00 O ATOM 1362 CB THR A 109 -5.022 0.838 6.433 1.00 1.00 C ATOM 1363 OG1 THR A 109 -3.611 0.825 6.268 1.00 1.00 O ATOM 1364 CG2 THR A 109 -5.305 -0.072 7.640 1.00 1.00 C ATOM 0 H THR A 109 -5.877 2.256 4.181 1.00 1.00 H new ATOM 0 HA THR A 109 -5.264 -0.564 4.840 1.00 1.00 H new ATOM 0 HB THR A 109 -5.423 1.832 6.628 1.00 1.00 H new ATOM 0 HG1 THR A 109 -3.182 1.115 7.100 1.00 1.00 H new ATOM 0 HG21 THR A 109 -4.783 0.313 8.516 1.00 1.00 H new ATOM 0 HG22 THR A 109 -6.377 -0.093 7.836 1.00 1.00 H new ATOM 0 HG23 THR A 109 -4.956 -1.082 7.424 1.00 1.00 H new ATOM 1372 N ILE A 110 -7.628 -1.143 5.102 1.00 1.00 N ATOM 1373 CA ILE A 110 -8.996 -1.646 5.311 1.00 1.00 C ATOM 1374 C ILE A 110 -9.055 -2.222 6.729 1.00 1.00 C ATOM 1375 O ILE A 110 -8.361 -3.198 7.028 1.00 1.00 O ATOM 1376 CB ILE A 110 -9.391 -2.706 4.245 1.00 1.00 C ATOM 1377 CG1 ILE A 110 -9.464 -2.059 2.839 1.00 1.00 C ATOM 1378 CG2 ILE A 110 -10.746 -3.365 4.607 1.00 1.00 C ATOM 1379 CD1 ILE A 110 -9.619 -3.044 1.671 1.00 1.00 C ATOM 0 H ILE A 110 -6.996 -1.863 4.752 1.00 1.00 H new ATOM 0 HA ILE A 110 -9.716 -0.835 5.200 1.00 1.00 H new ATOM 0 HB ILE A 110 -8.624 -3.481 4.231 1.00 1.00 H new ATOM 0 HG12 ILE A 110 -10.303 -1.364 2.820 1.00 1.00 H new ATOM 0 HG13 ILE A 110 -8.560 -1.472 2.680 1.00 1.00 H new ATOM 0 HG21 ILE A 110 -11.005 -4.104 3.849 1.00 1.00 H new ATOM 0 HG22 ILE A 110 -10.665 -3.854 5.578 1.00 1.00 H new ATOM 0 HG23 ILE A 110 -11.522 -2.601 4.649 1.00 1.00 H new ATOM 0 HD11 ILE A 110 -9.660 -2.492 0.732 1.00 1.00 H new ATOM 0 HD12 ILE A 110 -8.768 -3.725 1.654 1.00 1.00 H new ATOM 0 HD13 ILE A 110 -10.539 -3.615 1.797 1.00 1.00 H new ATOM 1391 N THR A 111 -9.886 -1.599 7.580 1.00 1.00 N ATOM 1392 CA THR A 111 -10.146 -2.048 8.974 1.00 1.00 C ATOM 1393 C THR A 111 -11.600 -2.532 9.199 1.00 1.00 C ATOM 1394 O THR A 111 -12.552 -1.752 9.189 1.00 1.00 O ATOM 1395 CB THR A 111 -9.629 -1.022 10.002 1.00 1.00 C ATOM 1396 OG1 THR A 111 -9.732 -1.544 11.308 1.00 1.00 O ATOM 1397 CG2 THR A 111 -10.283 0.359 10.007 1.00 1.00 C ATOM 0 H THR A 111 -10.406 -0.759 7.325 1.00 1.00 H new ATOM 0 HA THR A 111 -9.557 -2.949 9.146 1.00 1.00 H new ATOM 0 HB THR A 111 -8.601 -0.860 9.679 1.00 1.00 H new ATOM 0 HG1 THR A 111 -9.399 -0.884 11.951 1.00 1.00 H new ATOM 0 HG21 THR A 111 -9.823 0.977 10.778 1.00 1.00 H new ATOM 0 HG22 THR A 111 -10.145 0.830 9.034 1.00 1.00 H new ATOM 0 HG23 THR A 111 -11.349 0.256 10.212 1.00 1.00 H new ATOM 1405 N VAL A 112 -11.795 -3.856 9.346 1.00 1.00 N ATOM 1406 CA VAL A 112 -13.106 -4.516 9.538 1.00 1.00 C ATOM 1407 C VAL A 112 -13.622 -4.358 10.983 1.00 1.00 C ATOM 1408 O VAL A 112 -12.871 -4.406 11.957 1.00 1.00 O ATOM 1409 CB VAL A 112 -13.050 -6.000 9.098 1.00 1.00 C ATOM 1410 CG1 VAL A 112 -14.273 -6.854 9.477 1.00 1.00 C ATOM 1411 CG2 VAL A 112 -12.847 -6.140 7.583 1.00 1.00 C ATOM 0 H VAL A 112 -11.021 -4.520 9.334 1.00 1.00 H new ATOM 0 HA VAL A 112 -13.828 -4.012 8.895 1.00 1.00 H new ATOM 0 HB VAL A 112 -12.195 -6.382 9.657 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -14.129 -7.874 9.121 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -14.390 -6.861 10.561 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -15.167 -6.433 9.018 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -12.813 -7.196 7.316 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -13.674 -5.660 7.059 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -11.910 -5.663 7.296 1.00 1.00 H new ATOM 1421 N PHE A 113 -14.947 -4.242 11.084 1.00 1.00 N ATOM 1422 CA PHE A 113 -15.773 -3.946 12.273 1.00 1.00 C ATOM 1423 C PHE A 113 -16.516 -5.174 12.867 1.00 1.00 C ATOM 1424 O PHE A 113 -17.111 -5.062 13.939 1.00 1.00 O ATOM 1425 CB PHE A 113 -16.745 -2.840 11.816 1.00 1.00 C ATOM 1426 CG PHE A 113 -17.675 -2.181 12.827 1.00 1.00 C ATOM 1427 CD1 PHE A 113 -17.187 -1.221 13.748 1.00 1.00 C ATOM 1428 CD2 PHE A 113 -19.058 -2.479 12.804 1.00 1.00 C ATOM 1429 CE1 PHE A 113 -18.076 -0.593 14.654 1.00 1.00 C ATOM 1430 CE2 PHE A 113 -19.943 -1.850 13.705 1.00 1.00 C ATOM 1431 CZ PHE A 113 -19.450 -0.914 14.639 1.00 1.00 C ATOM 0 H PHE A 113 -15.533 -4.364 10.258 1.00 1.00 H new ATOM 0 HA PHE A 113 -15.139 -3.631 13.102 1.00 1.00 H new ATOM 0 HB2 PHE A 113 -16.147 -2.050 11.362 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -17.369 -3.261 11.028 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -16.137 -0.968 13.759 1.00 1.00 H new ATOM 0 HD2 PHE A 113 -19.440 -3.194 12.090 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -17.701 0.134 15.359 1.00 1.00 H new ATOM 0 HE2 PHE A 113 -20.997 -2.085 13.680 1.00 1.00 H new ATOM 0 HZ PHE A 113 -20.123 -0.444 15.341 1.00 1.00 H new ATOM 1441 N THR A 114 -16.463 -6.331 12.184 1.00 1.00 N ATOM 1442 CA THR A 114 -17.164 -7.616 12.465 1.00 1.00 C ATOM 1443 C THR A 114 -16.566 -8.338 13.697 1.00 1.00 C ATOM 1444 O THR A 114 -15.501 -7.952 14.185 1.00 1.00 O ATOM 1445 CB THR A 114 -17.059 -8.546 11.217 1.00 1.00 C ATOM 1446 OG1 THR A 114 -17.353 -7.849 10.021 1.00 1.00 O ATOM 1447 CG2 THR A 114 -17.995 -9.768 11.189 1.00 1.00 C ATOM 0 H THR A 114 -15.882 -6.408 11.349 1.00 1.00 H new ATOM 0 HA THR A 114 -18.208 -7.390 12.683 1.00 1.00 H new ATOM 0 HB THR A 114 -16.028 -8.891 11.291 1.00 1.00 H new ATOM 0 HG1 THR A 114 -17.862 -7.038 10.231 1.00 1.00 H new ATOM 0 HG21 THR A 114 -17.827 -10.334 10.273 1.00 1.00 H new ATOM 0 HG22 THR A 114 -17.790 -10.403 12.051 1.00 1.00 H new ATOM 0 HG23 THR A 114 -19.032 -9.433 11.223 1.00 1.00 H new ATOM 1455 N ASN A 115 -17.199 -9.425 14.186 1.00 1.00 N ATOM 1456 CA ASN A 115 -16.653 -10.309 15.236 1.00 1.00 C ATOM 1457 C ASN A 115 -15.137 -10.595 15.020 1.00 1.00 C ATOM 1458 O ASN A 115 -14.380 -10.383 15.967 1.00 1.00 O ATOM 1459 CB ASN A 115 -17.532 -11.575 15.352 1.00 1.00 C ATOM 1460 CG ASN A 115 -18.482 -11.576 16.545 1.00 1.00 C ATOM 1461 OD1 ASN A 115 -19.690 -11.662 16.424 1.00 1.00 O ATOM 1462 ND2 ASN A 115 -17.972 -11.486 17.756 1.00 1.00 N ATOM 0 H ASN A 115 -18.119 -9.717 13.856 1.00 1.00 H new ATOM 0 HA ASN A 115 -16.696 -9.805 16.201 1.00 1.00 H new ATOM 0 HB2 ASN A 115 -18.116 -11.682 14.438 1.00 1.00 H new ATOM 0 HB3 ASN A 115 -16.883 -12.448 15.419 1.00 1.00 H new ATOM 0 HD21 ASN A 115 -18.587 -11.489 18.570 1.00 1.00 H new ATOM 0 HD22 ASN A 115 -16.962 -11.413 17.880 1.00 1.00 H new ATOM 1469 N PRO A 116 -14.688 -11.058 13.825 1.00 1.00 N ATOM 1470 CA PRO A 116 -13.275 -11.143 13.442 1.00 1.00 C ATOM 1471 C PRO A 116 -12.760 -9.729 13.031 1.00 1.00 C ATOM 1472 O PRO A 116 -13.179 -9.213 11.990 1.00 1.00 O ATOM 1473 CB PRO A 116 -13.209 -12.117 12.258 1.00 1.00 C ATOM 1474 CG PRO A 116 -14.594 -12.007 11.620 1.00 1.00 C ATOM 1475 CD PRO A 116 -15.517 -11.662 12.787 1.00 1.00 C ATOM 0 HA PRO A 116 -12.649 -11.493 14.263 1.00 1.00 H new ATOM 0 HB2 PRO A 116 -12.422 -11.841 11.556 1.00 1.00 H new ATOM 0 HB3 PRO A 116 -13.000 -13.135 12.588 1.00 1.00 H new ATOM 0 HG2 PRO A 116 -14.618 -11.235 10.851 1.00 1.00 H new ATOM 0 HG3 PRO A 116 -14.888 -12.942 11.142 1.00 1.00 H new ATOM 0 HD2 PRO A 116 -16.299 -10.973 12.469 1.00 1.00 H new ATOM 0 HD3 PRO A 116 -16.014 -12.556 13.163 1.00 1.00 H new ATOM 1483 N PRO A 117 -11.867 -9.074 13.811 1.00 1.00 N ATOM 1484 CA PRO A 117 -11.258 -7.792 13.428 1.00 1.00 C ATOM 1485 C PRO A 117 -10.255 -8.018 12.273 1.00 1.00 C ATOM 1486 O PRO A 117 -9.176 -8.582 12.475 1.00 1.00 O ATOM 1487 CB PRO A 117 -10.599 -7.239 14.698 1.00 1.00 C ATOM 1488 CG PRO A 117 -10.290 -8.483 15.528 1.00 1.00 C ATOM 1489 CD PRO A 117 -11.258 -9.563 15.044 1.00 1.00 C ATOM 0 HA PRO A 117 -11.985 -7.072 13.054 1.00 1.00 H new ATOM 0 HB2 PRO A 117 -9.693 -6.679 14.466 1.00 1.00 H new ATOM 0 HB3 PRO A 117 -11.266 -6.560 15.230 1.00 1.00 H new ATOM 0 HG2 PRO A 117 -9.255 -8.797 15.391 1.00 1.00 H new ATOM 0 HG3 PRO A 117 -10.425 -8.286 16.592 1.00 1.00 H new ATOM 0 HD2 PRO A 117 -10.731 -10.501 14.868 1.00 1.00 H new ATOM 0 HD3 PRO A 117 -12.020 -9.762 15.797 1.00 1.00 H new ATOM 1497 N GLN A 118 -10.619 -7.610 11.046 1.00 1.00 N ATOM 1498 CA GLN A 118 -9.826 -7.851 9.825 1.00 1.00 C ATOM 1499 C GLN A 118 -9.147 -6.557 9.339 1.00 1.00 C ATOM 1500 O GLN A 118 -9.771 -5.700 8.713 1.00 1.00 O ATOM 1501 CB GLN A 118 -10.679 -8.538 8.731 1.00 1.00 C ATOM 1502 CG GLN A 118 -10.413 -10.035 8.474 1.00 1.00 C ATOM 1503 CD GLN A 118 -11.288 -10.950 9.327 1.00 1.00 C ATOM 1504 OE1 GLN A 118 -12.502 -10.898 9.310 1.00 1.00 O ATOM 1505 NE2 GLN A 118 -10.733 -11.834 10.121 1.00 1.00 N ATOM 0 H GLN A 118 -11.483 -7.097 10.870 1.00 1.00 H new ATOM 0 HA GLN A 118 -9.022 -8.546 10.067 1.00 1.00 H new ATOM 0 HB2 GLN A 118 -11.730 -8.421 8.997 1.00 1.00 H new ATOM 0 HB3 GLN A 118 -10.526 -8.001 7.795 1.00 1.00 H new ATOM 0 HG2 GLN A 118 -10.587 -10.254 7.420 1.00 1.00 H new ATOM 0 HG3 GLN A 118 -9.364 -10.252 8.676 1.00 1.00 H new ATOM 0 HE21 GLN A 118 -9.717 -11.912 10.167 1.00 1.00 H new ATOM 0 HE22 GLN A 118 -11.317 -12.444 10.693 1.00 1.00 H new ATOM 1514 N VAL A 119 -7.848 -6.432 9.633 1.00 1.00 N ATOM 1515 CA VAL A 119 -6.951 -5.329 9.220 1.00 1.00 C ATOM 1516 C VAL A 119 -6.018 -5.762 8.066 1.00 1.00 C ATOM 1517 O VAL A 119 -5.168 -6.635 8.237 1.00 1.00 O ATOM 1518 CB VAL A 119 -6.169 -4.728 10.424 1.00 1.00 C ATOM 1519 CG1 VAL A 119 -7.131 -3.990 11.379 1.00 1.00 C ATOM 1520 CG2 VAL A 119 -5.348 -5.745 11.246 1.00 1.00 C ATOM 0 H VAL A 119 -7.361 -7.131 10.195 1.00 1.00 H new ATOM 0 HA VAL A 119 -7.580 -4.526 8.835 1.00 1.00 H new ATOM 0 HB VAL A 119 -5.452 -4.044 9.969 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -6.567 -3.576 12.215 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -7.629 -3.183 10.842 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -7.877 -4.689 11.756 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -4.841 -5.229 12.061 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -6.014 -6.504 11.656 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -4.609 -6.221 10.602 1.00 1.00 H new ATOM 1530 N ALA A 120 -6.186 -5.152 6.880 1.00 1.00 N ATOM 1531 CA ALA A 120 -5.405 -5.412 5.654 1.00 1.00 C ATOM 1532 C ALA A 120 -4.971 -4.089 4.984 1.00 1.00 C ATOM 1533 O ALA A 120 -5.806 -3.225 4.703 1.00 1.00 O ATOM 1534 CB ALA A 120 -6.231 -6.305 4.710 1.00 1.00 C ATOM 0 H ALA A 120 -6.898 -4.435 6.742 1.00 1.00 H new ATOM 0 HA ALA A 120 -4.487 -5.942 5.907 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.660 -6.501 3.802 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -6.457 -7.248 5.207 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -7.161 -5.799 4.451 1.00 1.00 H new ATOM 1540 N THR A 121 -3.671 -3.934 4.695 1.00 1.00 N ATOM 1541 CA THR A 121 -3.023 -2.691 4.216 1.00 1.00 C ATOM 1542 C THR A 121 -2.260 -2.834 2.885 1.00 1.00 C ATOM 1543 O THR A 121 -1.718 -3.891 2.557 1.00 1.00 O ATOM 1544 CB THR A 121 -2.162 -2.042 5.325 1.00 1.00 C ATOM 1545 OG1 THR A 121 -1.892 -0.700 4.982 1.00 1.00 O ATOM 1546 CG2 THR A 121 -0.835 -2.757 5.604 1.00 1.00 C ATOM 0 H THR A 121 -3.007 -4.703 4.791 1.00 1.00 H new ATOM 0 HA THR A 121 -3.840 -2.009 3.981 1.00 1.00 H new ATOM 0 HB THR A 121 -2.750 -2.118 6.240 1.00 1.00 H new ATOM 0 HG1 THR A 121 -2.265 -0.106 5.666 1.00 1.00 H new ATOM 0 HG21 THR A 121 -0.299 -2.233 6.395 1.00 1.00 H new ATOM 0 HG22 THR A 121 -1.033 -3.782 5.918 1.00 1.00 H new ATOM 0 HG23 THR A 121 -0.229 -2.765 4.698 1.00 1.00 H new ATOM 1554 N TYR A 122 -2.220 -1.753 2.096 1.00 1.00 N ATOM 1555 CA TYR A 122 -1.516 -1.668 0.812 1.00 1.00 C ATOM 1556 C TYR A 122 -0.052 -1.245 1.066 1.00 1.00 C ATOM 1557 O TYR A 122 0.247 -0.119 1.464 1.00 1.00 O ATOM 1558 CB TYR A 122 -2.257 -0.632 -0.050 1.00 1.00 C ATOM 1559 CG TYR A 122 -1.962 -0.594 -1.540 1.00 1.00 C ATOM 1560 CD1 TYR A 122 -2.645 -1.498 -2.378 1.00 1.00 C ATOM 1561 CD2 TYR A 122 -1.080 0.362 -2.097 1.00 1.00 C ATOM 1562 CE1 TYR A 122 -2.439 -1.478 -3.774 1.00 1.00 C ATOM 1563 CE2 TYR A 122 -0.869 0.397 -3.499 1.00 1.00 C ATOM 1564 CZ TYR A 122 -1.561 -0.515 -4.337 1.00 1.00 C ATOM 1565 OH TYR A 122 -1.439 -0.443 -5.685 1.00 1.00 O ATOM 0 H TYR A 122 -2.693 -0.884 2.343 1.00 1.00 H new ATOM 0 HA TYR A 122 -1.501 -2.627 0.295 1.00 1.00 H new ATOM 0 HB2 TYR A 122 -3.327 -0.801 0.073 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -2.041 0.356 0.357 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -3.332 -2.212 -1.948 1.00 1.00 H new ATOM 0 HD2 TYR A 122 -0.568 1.064 -1.455 1.00 1.00 H new ATOM 0 HE1 TYR A 122 -2.945 -2.190 -4.409 1.00 1.00 H new ATOM 0 HE2 TYR A 122 -0.185 1.115 -3.927 1.00 1.00 H new ATOM 0 HH TYR A 122 -1.549 0.487 -5.974 1.00 1.00 H new ATOM 1575 N HIS A 123 0.862 -2.190 0.787 1.00 1.00 N ATOM 1576 CA HIS A 123 2.321 -2.138 1.010 1.00 1.00 C ATOM 1577 C HIS A 123 3.119 -2.571 -0.247 1.00 1.00 C ATOM 1578 O HIS A 123 3.981 -3.458 -0.197 1.00 1.00 O ATOM 1579 CB HIS A 123 2.649 -2.946 2.283 1.00 1.00 C ATOM 1580 CG HIS A 123 2.340 -4.422 2.235 1.00 1.00 C ATOM 1581 ND1 HIS A 123 3.093 -5.368 1.574 1.00 1.00 N ATOM 1582 CD2 HIS A 123 1.295 -5.053 2.842 1.00 1.00 C ATOM 1583 CE1 HIS A 123 2.540 -6.579 1.812 1.00 1.00 C ATOM 1584 NE2 HIS A 123 1.438 -6.396 2.579 1.00 1.00 N ATOM 0 H HIS A 123 0.582 -3.077 0.369 1.00 1.00 H new ATOM 0 HA HIS A 123 2.641 -1.110 1.178 1.00 1.00 H new ATOM 0 HB2 HIS A 123 3.710 -2.825 2.501 1.00 1.00 H new ATOM 0 HB3 HIS A 123 2.100 -2.508 3.117 1.00 1.00 H new ATOM 0 HD2 HIS A 123 0.508 -4.589 3.418 1.00 1.00 H new ATOM 0 HE1 HIS A 123 2.912 -7.527 1.453 1.00 1.00 H new ATOM 0 HE2 HIS A 123 0.816 -7.134 2.908 1.00 1.00 H new ATOM 1593 N ARG A 124 2.756 -1.967 -1.393 1.00 1.00 N ATOM 1594 CA ARG A 124 3.254 -2.259 -2.755 1.00 1.00 C ATOM 1595 C ARG A 124 3.569 -1.001 -3.599 1.00 1.00 C ATOM 1596 O ARG A 124 4.638 -0.425 -3.417 1.00 1.00 O ATOM 1597 CB ARG A 124 2.340 -3.296 -3.451 1.00 1.00 C ATOM 1598 CG ARG A 124 0.823 -3.089 -3.306 1.00 1.00 C ATOM 1599 CD ARG A 124 0.028 -3.984 -4.257 1.00 1.00 C ATOM 1600 NE ARG A 124 0.270 -3.636 -5.670 1.00 1.00 N ATOM 1601 CZ ARG A 124 0.990 -4.340 -6.530 1.00 1.00 C ATOM 1602 NH1 ARG A 124 1.568 -5.471 -6.215 1.00 1.00 N ATOM 1603 NH2 ARG A 124 1.149 -3.912 -7.751 1.00 1.00 N ATOM 0 H ARG A 124 2.066 -1.216 -1.396 1.00 1.00 H new ATOM 0 HA ARG A 124 4.236 -2.721 -2.654 1.00 1.00 H new ATOM 0 HB2 ARG A 124 2.582 -3.303 -4.514 1.00 1.00 H new ATOM 0 HB3 ARG A 124 2.587 -4.283 -3.061 1.00 1.00 H new ATOM 0 HG2 ARG A 124 0.525 -3.298 -2.278 1.00 1.00 H new ATOM 0 HG3 ARG A 124 0.579 -2.045 -3.503 1.00 1.00 H new ATOM 0 HD2 ARG A 124 0.300 -5.026 -4.088 1.00 1.00 H new ATOM 0 HD3 ARG A 124 -1.036 -3.893 -4.038 1.00 1.00 H new ATOM 0 HE ARG A 124 -0.155 -2.776 -6.016 1.00 1.00 H new ATOM 0 HH11 ARG A 124 1.474 -5.846 -5.271 1.00 1.00 H new ATOM 0 HH12 ARG A 124 2.113 -5.977 -6.913 1.00 1.00 H new ATOM 0 HH21 ARG A 124 0.719 -3.035 -8.044 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.704 -4.454 -8.413 1.00 1.00 H new ATOM 1617 N ALA A 125 2.686 -0.566 -4.514 1.00 1.00 N ATOM 1618 CA ALA A 125 2.911 0.510 -5.508 1.00 1.00 C ATOM 1619 C ALA A 125 2.971 1.965 -4.946 1.00 1.00 C ATOM 1620 O ALA A 125 2.213 2.851 -5.351 1.00 1.00 O ATOM 1621 CB ALA A 125 1.898 0.332 -6.657 1.00 1.00 C ATOM 0 H ALA A 125 1.752 -0.970 -4.588 1.00 1.00 H new ATOM 0 HA ALA A 125 3.927 0.390 -5.885 1.00 1.00 H new ATOM 0 HB1 ALA A 125 2.048 1.116 -7.399 1.00 1.00 H new ATOM 0 HB2 ALA A 125 2.044 -0.642 -7.123 1.00 1.00 H new ATOM 0 HB3 ALA A 125 0.884 0.396 -6.262 1.00 1.00 H new ATOM 1627 N ILE A 126 3.911 2.223 -4.025 1.00 1.00 N ATOM 1628 CA ILE A 126 4.179 3.515 -3.353 1.00 1.00 C ATOM 1629 C ILE A 126 4.796 4.597 -4.276 1.00 1.00 C ATOM 1630 O ILE A 126 5.962 4.976 -4.148 1.00 1.00 O ATOM 1631 CB ILE A 126 4.986 3.314 -2.039 1.00 1.00 C ATOM 1632 CG1 ILE A 126 6.284 2.481 -2.204 1.00 1.00 C ATOM 1633 CG2 ILE A 126 4.106 2.675 -0.947 1.00 1.00 C ATOM 1634 CD1 ILE A 126 7.561 3.177 -1.725 1.00 1.00 C ATOM 0 H ILE A 126 4.548 1.493 -3.705 1.00 1.00 H new ATOM 0 HA ILE A 126 3.203 3.918 -3.082 1.00 1.00 H new ATOM 0 HB ILE A 126 5.295 4.317 -1.743 1.00 1.00 H new ATOM 0 HG12 ILE A 126 6.170 1.545 -1.657 1.00 1.00 H new ATOM 0 HG13 ILE A 126 6.401 2.222 -3.256 1.00 1.00 H new ATOM 0 HG21 ILE A 126 4.692 2.544 -0.037 1.00 1.00 H new ATOM 0 HG22 ILE A 126 3.255 3.324 -0.740 1.00 1.00 H new ATOM 0 HG23 ILE A 126 3.748 1.705 -1.290 1.00 1.00 H new ATOM 0 HD11 ILE A 126 8.415 2.518 -1.881 1.00 1.00 H new ATOM 0 HD12 ILE A 126 7.706 4.098 -2.289 1.00 1.00 H new ATOM 0 HD13 ILE A 126 7.472 3.411 -0.664 1.00 1.00 H new ATOM 1646 N LYS A 127 3.971 5.136 -5.187 1.00 1.00 N ATOM 1647 CA LYS A 127 4.246 6.286 -6.075 1.00 1.00 C ATOM 1648 C LYS A 127 3.129 7.344 -6.002 1.00 1.00 C ATOM 1649 O LYS A 127 2.004 7.041 -5.608 1.00 1.00 O ATOM 1650 CB LYS A 127 4.462 5.769 -7.509 1.00 1.00 C ATOM 1651 CG LYS A 127 5.228 6.740 -8.419 1.00 1.00 C ATOM 1652 CD LYS A 127 5.556 6.084 -9.769 1.00 1.00 C ATOM 1653 CE LYS A 127 6.695 6.758 -10.548 1.00 1.00 C ATOM 1654 NZ LYS A 127 6.364 8.128 -11.000 1.00 1.00 N ATOM 0 H LYS A 127 3.035 4.760 -5.336 1.00 1.00 H new ATOM 0 HA LYS A 127 5.154 6.788 -5.741 1.00 1.00 H new ATOM 0 HB2 LYS A 127 5.005 4.825 -7.465 1.00 1.00 H new ATOM 0 HB3 LYS A 127 3.491 5.558 -7.957 1.00 1.00 H new ATOM 0 HG2 LYS A 127 4.632 7.638 -8.582 1.00 1.00 H new ATOM 0 HG3 LYS A 127 6.150 7.053 -7.929 1.00 1.00 H new ATOM 0 HD2 LYS A 127 5.819 5.041 -9.596 1.00 1.00 H new ATOM 0 HD3 LYS A 127 4.658 6.088 -10.388 1.00 1.00 H new ATOM 0 HE2 LYS A 127 7.584 6.795 -9.919 1.00 1.00 H new ATOM 0 HE3 LYS A 127 6.944 6.147 -11.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 7.172 8.527 -11.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 5.533 8.096 -11.625 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 6.154 8.725 -10.175 1.00 1.00 H new ATOM 1667 N ILE A 128 3.448 8.580 -6.412 1.00 1.00 N ATOM 1668 CA ILE A 128 2.533 9.734 -6.549 1.00 1.00 C ATOM 1669 C ILE A 128 2.999 10.689 -7.677 1.00 1.00 C ATOM 1670 O ILE A 128 4.161 10.670 -8.095 1.00 1.00 O ATOM 1671 CB ILE A 128 2.329 10.439 -5.162 1.00 1.00 C ATOM 1672 CG1 ILE A 128 0.851 10.551 -4.743 1.00 1.00 C ATOM 1673 CG2 ILE A 128 2.917 11.858 -5.053 1.00 1.00 C ATOM 1674 CD1 ILE A 128 0.132 9.224 -4.477 1.00 1.00 C ATOM 0 H ILE A 128 4.404 8.820 -6.673 1.00 1.00 H new ATOM 0 HA ILE A 128 1.550 9.379 -6.859 1.00 1.00 H new ATOM 0 HB ILE A 128 2.878 9.771 -4.499 1.00 1.00 H new ATOM 0 HG12 ILE A 128 0.794 11.161 -3.842 1.00 1.00 H new ATOM 0 HG13 ILE A 128 0.311 11.085 -5.524 1.00 1.00 H new ATOM 0 HG21 ILE A 128 2.723 12.257 -4.057 1.00 1.00 H new ATOM 0 HG22 ILE A 128 3.993 11.820 -5.226 1.00 1.00 H new ATOM 0 HG23 ILE A 128 2.452 12.503 -5.799 1.00 1.00 H new ATOM 0 HD11 ILE A 128 -0.901 9.421 -4.190 1.00 1.00 H new ATOM 0 HD12 ILE A 128 0.147 8.614 -5.381 1.00 1.00 H new ATOM 0 HD13 ILE A 128 0.638 8.691 -3.671 1.00 1.00 H new ATOM 1686 N THR A 129 2.075 11.533 -8.152 1.00 1.00 N ATOM 1687 CA THR A 129 2.285 12.583 -9.176 1.00 1.00 C ATOM 1688 C THR A 129 2.469 13.959 -8.503 1.00 1.00 C ATOM 1689 O THR A 129 1.589 14.400 -7.765 1.00 1.00 O ATOM 1690 CB THR A 129 1.092 12.633 -10.167 1.00 1.00 C ATOM 1691 OG1 THR A 129 0.879 11.361 -10.750 1.00 1.00 O ATOM 1692 CG2 THR A 129 1.311 13.627 -11.313 1.00 1.00 C ATOM 0 H THR A 129 1.110 11.507 -7.821 1.00 1.00 H new ATOM 0 HA THR A 129 3.188 12.337 -9.734 1.00 1.00 H new ATOM 0 HB THR A 129 0.232 12.952 -9.578 1.00 1.00 H new ATOM 0 HG1 THR A 129 0.221 10.864 -10.220 1.00 1.00 H new ATOM 0 HG21 THR A 129 0.444 13.618 -11.973 1.00 1.00 H new ATOM 0 HG22 THR A 129 1.446 14.629 -10.905 1.00 1.00 H new ATOM 0 HG23 THR A 129 2.199 13.342 -11.877 1.00 1.00 H new ATOM 1700 N VAL A 130 3.591 14.648 -8.787 1.00 1.00 N ATOM 1701 CA VAL A 130 3.991 15.940 -8.165 1.00 1.00 C ATOM 1702 C VAL A 130 3.183 17.178 -8.612 1.00 1.00 C ATOM 1703 O VAL A 130 2.985 18.072 -7.791 1.00 1.00 O ATOM 1704 CB VAL A 130 5.526 16.167 -8.284 1.00 1.00 C ATOM 1705 CG1 VAL A 130 6.035 16.395 -9.722 1.00 1.00 C ATOM 1706 CG2 VAL A 130 6.046 17.317 -7.398 1.00 1.00 C ATOM 0 H VAL A 130 4.268 14.318 -9.474 1.00 1.00 H new ATOM 0 HA VAL A 130 3.730 15.833 -7.112 1.00 1.00 H new ATOM 0 HB VAL A 130 5.930 15.220 -7.928 1.00 1.00 H new ATOM 0 HG11 VAL A 130 7.115 16.544 -9.706 1.00 1.00 H new ATOM 0 HG12 VAL A 130 5.797 15.525 -10.334 1.00 1.00 H new ATOM 0 HG13 VAL A 130 5.553 17.277 -10.143 1.00 1.00 H new ATOM 0 HG21 VAL A 130 7.123 17.420 -7.530 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.555 18.247 -7.684 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.828 17.098 -6.353 1.00 1.00 H new ATOM 1716 N ASP A 131 2.679 17.212 -9.861 1.00 1.00 N ATOM 1717 CA ASP A 131 1.844 18.277 -10.460 1.00 1.00 C ATOM 1718 C ASP A 131 0.512 18.486 -9.701 1.00 1.00 C ATOM 1719 O ASP A 131 0.221 19.616 -9.318 1.00 1.00 O ATOM 1720 CB ASP A 131 1.645 17.941 -11.953 1.00 1.00 C ATOM 1721 CG ASP A 131 0.920 19.013 -12.772 1.00 1.00 C ATOM 1722 OD1 ASP A 131 1.619 19.911 -13.283 1.00 1.00 O ATOM 1723 OD2 ASP A 131 -0.318 18.891 -12.885 1.00 1.00 O ATOM 0 H ASP A 131 2.853 16.453 -10.520 1.00 1.00 H new ATOM 0 HA ASP A 131 2.353 19.237 -10.374 1.00 1.00 H new ATOM 0 HB2 ASP A 131 2.622 17.763 -12.402 1.00 1.00 H new ATOM 0 HB3 ASP A 131 1.085 17.009 -12.028 1.00 1.00 H new ATOM 1728 N GLY A 132 -0.231 17.391 -9.440 1.00 1.00 N ATOM 1729 CA GLY A 132 -1.439 17.262 -8.605 1.00 1.00 C ATOM 1730 C GLY A 132 -1.343 18.067 -7.295 1.00 1.00 C ATOM 1731 O GLY A 132 -0.729 17.548 -6.356 1.00 1.00 O ATOM 0 H GLY A 132 0.025 16.492 -9.847 1.00 1.00 H new ATOM 0 HA2 GLY A 132 -2.306 17.600 -9.172 1.00 1.00 H new ATOM 0 HA3 GLY A 132 -1.603 16.210 -8.370 1.00 1.00 H new