USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 83 ASN : amide:sc= 0 X(o=-0.0035,f=-0.0035) USER MOD Set 1.2: A 89 THR OG1 : rot -150:sc=-0.00354 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.38 K(o=-2,f=-5.6!) USER MOD Set 2.2: A 63 SER OG : rot 60:sc= -0.603 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.57) USER MOD Single : A 5 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.3!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.129 F(o=-0.77,f=-0.13) USER MOD Single : A 35 THR OG1 : rot 127:sc= 1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= 0.0417 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.1!) USER MOD Single : A 82 MET CE :methyl -112:sc= -1.09 (180deg=-6.07!) USER MOD Single : A 85 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.03) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 10:sc= -0.914 USER MOD Single : A 92 ASN : amide:sc= -3.3 K(o=-3.3,f=-5!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.711 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.227 F(o=-0.36,f=0.23) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.654 -1.735 -1.089 1.00 41.42 N ATOM 9 CA SER A 2 4.985 -2.951 -0.355 1.00 43.41 C ATOM 10 C SER A 2 4.392 -4.178 -1.041 1.00 45.23 C ATOM 11 O SER A 2 3.387 -4.085 -1.744 1.00 11.30 O ATOM 12 CB SER A 2 4.472 -2.858 1.083 1.00 30.30 C ATOM 13 OG SER A 2 5.312 -3.575 1.971 1.00 23.35 O ATOM 0 HA SER A 2 6.070 -3.054 -0.340 1.00 43.41 H new ATOM 0 HB2 SER A 2 4.423 -1.813 1.388 1.00 30.30 H new ATOM 0 HB3 SER A 2 3.458 -3.254 1.137 1.00 30.30 H new ATOM 0 HG SER A 2 4.964 -3.499 2.884 1.00 23.35 H new ATOM 19 N ALA A 3 5.025 -5.327 -0.832 1.00 71.50 N ATOM 20 CA ALA A 3 4.561 -6.574 -1.428 1.00 31.14 C ATOM 21 C ALA A 3 3.085 -6.811 -1.126 1.00 52.55 C ATOM 22 O ALA A 3 2.728 -7.246 -0.032 1.00 2.13 O ATOM 23 CB ALA A 3 5.397 -7.742 -0.927 1.00 25.13 C ATOM 0 H ALA A 3 5.861 -5.421 -0.255 1.00 71.50 H new ATOM 0 HA ALA A 3 4.676 -6.496 -2.509 1.00 31.14 H new ATOM 0 HB1 ALA A 3 5.039 -8.666 -1.380 1.00 25.13 H new ATOM 0 HB2 ALA A 3 6.441 -7.585 -1.198 1.00 25.13 H new ATOM 0 HB3 ALA A 3 5.311 -7.813 0.157 1.00 25.13 H new ATOM 29 N GLN A 4 2.232 -6.520 -2.103 1.00 23.13 N ATOM 30 CA GLN A 4 0.795 -6.700 -1.940 1.00 14.03 C ATOM 31 C GLN A 4 0.357 -8.072 -2.442 1.00 33.32 C ATOM 32 O GLN A 4 0.746 -8.499 -3.528 1.00 60.12 O ATOM 33 CB GLN A 4 0.033 -5.603 -2.688 1.00 23.30 C ATOM 34 CG GLN A 4 -0.940 -4.833 -1.811 1.00 41.14 C ATOM 35 CD GLN A 4 -1.844 -5.743 -1.004 1.00 2.54 C ATOM 36 OE1 GLN A 4 -1.571 -6.031 0.162 1.00 12.41 O ATOM 37 NE2 GLN A 4 -2.927 -6.201 -1.619 1.00 53.15 N ATOM 0 H GLN A 4 2.511 -6.159 -3.015 1.00 23.13 H new ATOM 0 HA GLN A 4 0.565 -6.632 -0.877 1.00 14.03 H new ATOM 0 HB2 GLN A 4 0.749 -4.905 -3.121 1.00 23.30 H new ATOM 0 HB3 GLN A 4 -0.515 -6.053 -3.516 1.00 23.30 H new ATOM 0 HG2 GLN A 4 -0.380 -4.189 -1.133 1.00 41.14 H new ATOM 0 HG3 GLN A 4 -1.551 -4.183 -2.437 1.00 41.14 H new ATOM 0 HE21 GLN A 4 -3.114 -5.937 -2.586 1.00 53.15 H new ATOM 0 HE22 GLN A 4 -3.572 -6.817 -1.125 1.00 53.15 H new ATOM 46 N ASN A 5 -0.453 -8.759 -1.644 1.00 14.22 N ATOM 47 CA ASN A 5 -0.943 -10.083 -2.007 1.00 13.24 C ATOM 48 C ASN A 5 -2.177 -9.982 -2.898 1.00 51.13 C ATOM 49 O ASN A 5 -3.195 -9.412 -2.503 1.00 51.40 O ATOM 50 CB ASN A 5 -1.273 -10.890 -0.750 1.00 22.14 C ATOM 51 CG ASN A 5 -0.051 -11.147 0.110 1.00 62.13 C ATOM 52 OD1 ASN A 5 0.481 -12.257 0.137 1.00 63.51 O ATOM 53 ND2 ASN A 5 0.401 -10.119 0.818 1.00 5.01 N ATOM 0 H ASN A 5 -0.784 -8.420 -0.741 1.00 14.22 H new ATOM 0 HA ASN A 5 -0.157 -10.594 -2.563 1.00 13.24 H new ATOM 0 HB2 ASN A 5 -2.020 -10.355 -0.164 1.00 22.14 H new ATOM 0 HB3 ASN A 5 -1.717 -11.842 -1.039 1.00 22.14 H new ATOM 0 HD21 ASN A 5 1.221 -10.232 1.415 1.00 5.01 H new ATOM 0 HD22 ASN A 5 -0.071 -9.216 0.765 1.00 5.01 H new ATOM 60 N ILE A 6 -2.079 -10.538 -4.101 1.00 5.43 N ATOM 61 CA ILE A 6 -3.187 -10.512 -5.047 1.00 12.05 C ATOM 62 C ILE A 6 -3.528 -11.916 -5.534 1.00 35.51 C ATOM 63 O ILE A 6 -2.686 -12.609 -6.106 1.00 41.40 O ATOM 64 CB ILE A 6 -2.868 -9.622 -6.263 1.00 11.11 C ATOM 65 CG1 ILE A 6 -2.616 -8.181 -5.816 1.00 1.24 C ATOM 66 CG2 ILE A 6 -4.005 -9.678 -7.272 1.00 72.22 C ATOM 67 CD1 ILE A 6 -3.816 -7.531 -5.163 1.00 75.41 C ATOM 0 H ILE A 6 -1.243 -11.012 -4.443 1.00 5.43 H new ATOM 0 HA ILE A 6 -4.044 -10.096 -4.517 1.00 12.05 H new ATOM 0 HB ILE A 6 -1.964 -9.997 -6.742 1.00 11.11 H new ATOM 0 HG12 ILE A 6 -1.780 -8.167 -5.116 1.00 1.24 H new ATOM 0 HG13 ILE A 6 -2.318 -7.588 -6.681 1.00 1.24 H new ATOM 0 HG21 ILE A 6 -3.765 -9.044 -8.126 1.00 72.22 H new ATOM 0 HG22 ILE A 6 -4.142 -10.705 -7.610 1.00 72.22 H new ATOM 0 HG23 ILE A 6 -4.924 -9.325 -6.804 1.00 72.22 H new ATOM 0 HD11 ILE A 6 -3.564 -6.511 -4.872 1.00 75.41 H new ATOM 0 HD12 ILE A 6 -4.648 -7.512 -5.867 1.00 75.41 H new ATOM 0 HD13 ILE A 6 -4.102 -8.100 -4.279 1.00 75.41 H new ATOM 79 N THR A 7 -4.770 -12.331 -5.304 1.00 41.32 N ATOM 80 CA THR A 7 -5.223 -13.652 -5.720 1.00 33.25 C ATOM 81 C THR A 7 -5.956 -13.587 -7.055 1.00 74.31 C ATOM 82 O THR A 7 -6.752 -12.680 -7.293 1.00 12.14 O ATOM 83 CB THR A 7 -6.154 -14.284 -4.666 1.00 5.12 C ATOM 84 OG1 THR A 7 -7.100 -13.315 -4.204 1.00 42.33 O ATOM 85 CG2 THR A 7 -5.352 -14.820 -3.490 1.00 35.24 C ATOM 0 H THR A 7 -5.480 -11.771 -4.832 1.00 41.32 H new ATOM 0 HA THR A 7 -4.333 -14.272 -5.827 1.00 33.25 H new ATOM 0 HB THR A 7 -6.685 -15.114 -5.132 1.00 5.12 H new ATOM 0 HG1 THR A 7 -7.689 -13.725 -3.536 1.00 42.33 H new ATOM 0 HG21 THR A 7 -6.029 -15.261 -2.759 1.00 35.24 H new ATOM 0 HG22 THR A 7 -4.653 -15.579 -3.842 1.00 35.24 H new ATOM 0 HG23 THR A 7 -4.798 -14.004 -3.025 1.00 35.24 H new ATOM 93 N ALA A 8 -5.684 -14.557 -7.922 1.00 0.31 N ATOM 94 CA ALA A 8 -6.320 -14.611 -9.232 1.00 44.31 C ATOM 95 C ALA A 8 -6.500 -16.052 -9.697 1.00 23.45 C ATOM 96 O ALA A 8 -5.906 -16.973 -9.136 1.00 31.14 O ATOM 97 CB ALA A 8 -5.503 -13.825 -10.248 1.00 74.11 C ATOM 0 H ALA A 8 -5.027 -15.316 -7.740 1.00 0.31 H new ATOM 0 HA ALA A 8 -7.308 -14.158 -9.147 1.00 44.31 H new ATOM 0 HB1 ALA A 8 -5.990 -13.874 -11.222 1.00 74.11 H new ATOM 0 HB2 ALA A 8 -5.431 -12.785 -9.930 1.00 74.11 H new ATOM 0 HB3 ALA A 8 -4.503 -14.253 -10.320 1.00 74.11 H new ATOM 103 N ARG A 9 -7.322 -16.240 -10.723 1.00 51.14 N ATOM 104 CA ARG A 9 -7.582 -17.570 -11.261 1.00 1.45 C ATOM 105 C ARG A 9 -7.271 -17.623 -12.754 1.00 14.31 C ATOM 106 O ARG A 9 -7.413 -16.626 -13.462 1.00 41.31 O ATOM 107 CB ARG A 9 -9.039 -17.967 -11.017 1.00 3.33 C ATOM 108 CG ARG A 9 -9.229 -18.871 -9.810 1.00 51.23 C ATOM 109 CD ARG A 9 -9.806 -18.108 -8.628 1.00 35.42 C ATOM 110 NE ARG A 9 -10.402 -19.001 -7.638 1.00 24.34 N ATOM 111 CZ ARG A 9 -10.999 -18.577 -6.530 1.00 51.31 C ATOM 112 NH1 ARG A 9 -11.081 -17.279 -6.273 1.00 41.23 N ATOM 113 NH2 ARG A 9 -11.516 -19.451 -5.677 1.00 33.13 N ATOM 0 H ARG A 9 -7.820 -15.488 -11.199 1.00 51.14 H new ATOM 0 HA ARG A 9 -6.930 -18.276 -10.747 1.00 1.45 H new ATOM 0 HB2 ARG A 9 -9.635 -17.064 -10.882 1.00 3.33 H new ATOM 0 HB3 ARG A 9 -9.422 -18.473 -11.903 1.00 3.33 H new ATOM 0 HG2 ARG A 9 -9.893 -19.695 -10.072 1.00 51.23 H new ATOM 0 HG3 ARG A 9 -8.272 -19.310 -9.529 1.00 51.23 H new ATOM 0 HD2 ARG A 9 -9.019 -17.519 -8.157 1.00 35.42 H new ATOM 0 HD3 ARG A 9 -10.560 -17.406 -8.983 1.00 35.42 H new ATOM 0 HE ARG A 9 -10.357 -20.006 -7.807 1.00 24.34 H new ATOM 0 HH11 ARG A 9 -10.685 -16.604 -6.927 1.00 41.23 H new ATOM 0 HH12 ARG A 9 -11.540 -16.956 -5.421 1.00 41.23 H new ATOM 0 HH21 ARG A 9 -11.455 -20.450 -5.871 1.00 33.13 H new ATOM 0 HH22 ARG A 9 -11.974 -19.124 -4.826 1.00 33.13 H new ATOM 127 N ILE A 10 -6.849 -18.791 -13.224 1.00 73.24 N ATOM 128 CA ILE A 10 -6.521 -18.973 -14.633 1.00 5.12 C ATOM 129 C ILE A 10 -7.680 -18.550 -15.528 1.00 55.40 C ATOM 130 O ILE A 10 -8.785 -19.079 -15.420 1.00 73.33 O ATOM 131 CB ILE A 10 -6.157 -20.437 -14.941 1.00 63.34 C ATOM 132 CG1 ILE A 10 -4.970 -20.883 -14.085 1.00 1.42 C ATOM 133 CG2 ILE A 10 -5.841 -20.604 -16.420 1.00 21.30 C ATOM 134 CD1 ILE A 10 -4.810 -22.385 -14.006 1.00 72.01 C ATOM 0 H ILE A 10 -6.726 -19.626 -12.651 1.00 73.24 H new ATOM 0 HA ILE A 10 -5.658 -18.341 -14.840 1.00 5.12 H new ATOM 0 HB ILE A 10 -7.013 -21.067 -14.698 1.00 63.34 H new ATOM 0 HG12 ILE A 10 -4.056 -20.450 -14.492 1.00 1.42 H new ATOM 0 HG13 ILE A 10 -5.090 -20.485 -13.077 1.00 1.42 H new ATOM 0 HG21 ILE A 10 -5.586 -21.644 -16.622 1.00 21.30 H new ATOM 0 HG22 ILE A 10 -6.712 -20.322 -17.012 1.00 21.30 H new ATOM 0 HG23 ILE A 10 -4.999 -19.965 -16.687 1.00 21.30 H new ATOM 0 HD11 ILE A 10 -3.949 -22.627 -13.383 1.00 72.01 H new ATOM 0 HD12 ILE A 10 -5.708 -22.824 -13.571 1.00 72.01 H new ATOM 0 HD13 ILE A 10 -4.658 -22.788 -15.007 1.00 72.01 H new ATOM 146 N GLY A 11 -7.420 -17.591 -16.412 1.00 63.42 N ATOM 147 CA GLY A 11 -8.452 -17.115 -17.314 1.00 2.40 C ATOM 148 C GLY A 11 -9.293 -16.012 -16.701 1.00 20.20 C ATOM 149 O GLY A 11 -10.245 -15.536 -17.318 1.00 15.34 O ATOM 0 H GLY A 11 -6.514 -17.136 -16.519 1.00 63.42 H new ATOM 0 HA2 GLY A 11 -7.989 -16.748 -18.230 1.00 2.40 H new ATOM 0 HA3 GLY A 11 -9.098 -17.947 -17.594 1.00 2.40 H new ATOM 153 N GLU A 12 -8.942 -15.608 -15.484 1.00 63.34 N ATOM 154 CA GLU A 12 -9.674 -14.558 -14.788 1.00 52.35 C ATOM 155 C GLU A 12 -8.933 -13.227 -14.877 1.00 23.33 C ATOM 156 O GLU A 12 -7.708 -13.162 -14.769 1.00 10.21 O ATOM 157 CB GLU A 12 -9.886 -14.939 -13.322 1.00 35.11 C ATOM 158 CG GLU A 12 -10.659 -16.234 -13.135 1.00 3.54 C ATOM 159 CD GLU A 12 -11.865 -16.331 -14.049 1.00 42.43 C ATOM 160 OE1 GLU A 12 -12.892 -15.687 -13.748 1.00 33.04 O ATOM 161 OE2 GLU A 12 -11.781 -17.050 -15.067 1.00 3.24 O ATOM 0 H GLU A 12 -8.155 -15.992 -14.960 1.00 63.34 H new ATOM 0 HA GLU A 12 -10.645 -14.447 -15.271 1.00 52.35 H new ATOM 0 HB2 GLU A 12 -8.915 -15.032 -12.835 1.00 35.11 H new ATOM 0 HB3 GLU A 12 -10.419 -14.132 -12.819 1.00 35.11 H new ATOM 0 HG2 GLU A 12 -9.996 -17.079 -13.323 1.00 3.54 H new ATOM 0 HG3 GLU A 12 -10.987 -16.311 -12.098 1.00 3.54 H new ATOM 168 N PRO A 13 -9.691 -12.139 -15.080 1.00 62.45 N ATOM 169 CA PRO A 13 -9.127 -10.791 -15.188 1.00 52.32 C ATOM 170 C PRO A 13 -8.582 -10.282 -13.858 1.00 41.13 C ATOM 171 O PRO A 13 -9.151 -10.547 -12.799 1.00 74.00 O ATOM 172 CB PRO A 13 -10.321 -9.943 -15.636 1.00 0.10 C ATOM 173 CG PRO A 13 -11.517 -10.685 -15.148 1.00 42.01 C ATOM 174 CD PRO A 13 -11.157 -12.144 -15.219 1.00 42.43 C ATOM 0 HA PRO A 13 -8.280 -10.757 -15.874 1.00 52.32 H new ATOM 0 HB2 PRO A 13 -10.276 -8.940 -15.211 1.00 0.10 H new ATOM 0 HB3 PRO A 13 -10.341 -9.829 -16.720 1.00 0.10 H new ATOM 0 HG2 PRO A 13 -11.767 -10.394 -14.128 1.00 42.01 H new ATOM 0 HG3 PRO A 13 -12.389 -10.468 -15.764 1.00 42.01 H new ATOM 0 HD2 PRO A 13 -11.634 -12.715 -14.423 1.00 42.43 H new ATOM 0 HD3 PRO A 13 -11.470 -12.590 -16.163 1.00 42.43 H new ATOM 182 N LEU A 14 -7.475 -9.549 -13.921 1.00 34.34 N ATOM 183 CA LEU A 14 -6.852 -9.002 -12.720 1.00 71.14 C ATOM 184 C LEU A 14 -6.243 -7.631 -12.999 1.00 71.42 C ATOM 185 O LEU A 14 -5.676 -7.398 -14.066 1.00 51.25 O ATOM 186 CB LEU A 14 -5.774 -9.956 -12.201 1.00 73.32 C ATOM 187 CG LEU A 14 -5.140 -9.586 -10.859 1.00 75.33 C ATOM 188 CD1 LEU A 14 -6.181 -9.619 -9.751 1.00 34.33 C ATOM 189 CD2 LEU A 14 -3.987 -10.525 -10.539 1.00 5.13 C ATOM 0 H LEU A 14 -6.991 -9.320 -14.789 1.00 34.34 H new ATOM 0 HA LEU A 14 -7.624 -8.888 -11.959 1.00 71.14 H new ATOM 0 HB2 LEU A 14 -6.210 -10.951 -12.112 1.00 73.32 H new ATOM 0 HB3 LEU A 14 -4.983 -10.020 -12.948 1.00 73.32 H new ATOM 0 HG LEU A 14 -4.747 -8.572 -10.930 1.00 75.33 H new ATOM 0 HD11 LEU A 14 -5.712 -9.353 -8.803 1.00 34.33 H new ATOM 0 HD12 LEU A 14 -6.974 -8.906 -9.976 1.00 34.33 H new ATOM 0 HD13 LEU A 14 -6.603 -10.621 -9.678 1.00 34.33 H new ATOM 0 HD21 LEU A 14 -3.547 -10.248 -9.581 1.00 5.13 H new ATOM 0 HD22 LEU A 14 -4.356 -11.549 -10.486 1.00 5.13 H new ATOM 0 HD23 LEU A 14 -3.231 -10.452 -11.320 1.00 5.13 H new ATOM 201 N VAL A 15 -6.361 -6.728 -12.031 1.00 33.32 N ATOM 202 CA VAL A 15 -5.820 -5.382 -12.171 1.00 21.44 C ATOM 203 C VAL A 15 -4.840 -5.066 -11.047 1.00 1.52 C ATOM 204 O VAL A 15 -4.985 -5.552 -9.924 1.00 53.13 O ATOM 205 CB VAL A 15 -6.940 -4.325 -12.174 1.00 43.30 C ATOM 206 CG1 VAL A 15 -6.367 -2.941 -12.445 1.00 64.34 C ATOM 207 CG2 VAL A 15 -8.004 -4.680 -13.201 1.00 14.10 C ATOM 0 H VAL A 15 -6.827 -6.905 -11.141 1.00 33.32 H new ATOM 0 HA VAL A 15 -5.297 -5.348 -13.126 1.00 21.44 H new ATOM 0 HB VAL A 15 -7.407 -4.313 -11.189 1.00 43.30 H new ATOM 0 HG11 VAL A 15 -7.173 -2.207 -12.443 1.00 64.34 H new ATOM 0 HG12 VAL A 15 -5.644 -2.688 -11.669 1.00 64.34 H new ATOM 0 HG13 VAL A 15 -5.873 -2.936 -13.417 1.00 64.34 H new ATOM 0 HG21 VAL A 15 -8.788 -3.923 -13.190 1.00 14.10 H new ATOM 0 HG22 VAL A 15 -7.553 -4.721 -14.193 1.00 14.10 H new ATOM 0 HG23 VAL A 15 -8.435 -5.651 -12.958 1.00 14.10 H new ATOM 217 N LEU A 16 -3.840 -4.246 -11.355 1.00 53.31 N ATOM 218 CA LEU A 16 -2.835 -3.861 -10.370 1.00 65.02 C ATOM 219 C LEU A 16 -2.623 -2.351 -10.369 1.00 61.21 C ATOM 220 O LEU A 16 -2.763 -1.693 -11.400 1.00 13.11 O ATOM 221 CB LEU A 16 -1.512 -4.574 -10.658 1.00 52.44 C ATOM 222 CG LEU A 16 -1.611 -6.060 -11.005 1.00 54.10 C ATOM 223 CD1 LEU A 16 -0.336 -6.537 -11.681 1.00 1.31 C ATOM 224 CD2 LEU A 16 -1.895 -6.881 -9.755 1.00 22.15 C ATOM 0 H LEU A 16 -3.704 -3.835 -12.279 1.00 53.31 H new ATOM 0 HA LEU A 16 -3.194 -4.158 -9.385 1.00 65.02 H new ATOM 0 HB2 LEU A 16 -1.018 -4.061 -11.483 1.00 52.44 H new ATOM 0 HB3 LEU A 16 -0.868 -4.468 -9.785 1.00 52.44 H new ATOM 0 HG LEU A 16 -2.438 -6.197 -11.701 1.00 54.10 H new ATOM 0 HD11 LEU A 16 -0.426 -7.597 -11.920 1.00 1.31 H new ATOM 0 HD12 LEU A 16 -0.177 -5.970 -12.598 1.00 1.31 H new ATOM 0 HD13 LEU A 16 0.510 -6.387 -11.010 1.00 1.31 H new ATOM 0 HD21 LEU A 16 -1.962 -7.936 -10.020 1.00 22.15 H new ATOM 0 HD22 LEU A 16 -1.089 -6.738 -9.035 1.00 22.15 H new ATOM 0 HD23 LEU A 16 -2.837 -6.557 -9.313 1.00 22.15 H new ATOM 236 N LYS A 17 -2.281 -1.807 -9.206 1.00 22.24 N ATOM 237 CA LYS A 17 -2.045 -0.375 -9.070 1.00 30.44 C ATOM 238 C LYS A 17 -0.555 -0.080 -8.931 1.00 14.21 C ATOM 239 O LYS A 17 0.201 -0.888 -8.391 1.00 1.33 O ATOM 240 CB LYS A 17 -2.800 0.174 -7.858 1.00 2.25 C ATOM 241 CG LYS A 17 -3.307 1.593 -8.048 1.00 74.03 C ATOM 242 CD LYS A 17 -4.574 1.624 -8.886 1.00 53.23 C ATOM 243 CE LYS A 17 -5.754 1.025 -8.135 1.00 41.31 C ATOM 244 NZ LYS A 17 -7.051 1.588 -8.602 1.00 13.31 N ATOM 0 H LYS A 17 -2.161 -2.337 -8.343 1.00 22.24 H new ATOM 0 HA LYS A 17 -2.412 0.116 -9.972 1.00 30.44 H new ATOM 0 HB2 LYS A 17 -3.646 -0.479 -7.641 1.00 2.25 H new ATOM 0 HB3 LYS A 17 -2.144 0.145 -6.988 1.00 2.25 H new ATOM 0 HG2 LYS A 17 -3.502 2.044 -7.075 1.00 74.03 H new ATOM 0 HG3 LYS A 17 -2.536 2.195 -8.530 1.00 74.03 H new ATOM 0 HD2 LYS A 17 -4.803 2.653 -9.164 1.00 53.23 H new ATOM 0 HD3 LYS A 17 -4.413 1.072 -9.812 1.00 53.23 H new ATOM 0 HE2 LYS A 17 -5.758 -0.057 -8.269 1.00 41.31 H new ATOM 0 HE3 LYS A 17 -5.639 1.214 -7.068 1.00 41.31 H new ATOM 0 HZ1 LYS A 17 -7.830 1.155 -8.066 1.00 13.31 H new ATOM 0 HZ2 LYS A 17 -7.057 2.617 -8.451 1.00 13.31 H new ATOM 0 HZ3 LYS A 17 -7.173 1.386 -9.615 1.00 13.31 H new ATOM 258 N CYS A 18 -0.138 1.083 -9.422 1.00 34.12 N ATOM 259 CA CYS A 18 1.260 1.486 -9.351 1.00 45.11 C ATOM 260 C CYS A 18 1.438 2.673 -8.408 1.00 64.41 C ATOM 261 O CYS A 18 1.153 3.815 -8.768 1.00 12.12 O ATOM 262 CB CYS A 18 1.779 1.846 -10.745 1.00 64.03 C ATOM 263 SG CYS A 18 3.593 1.989 -10.849 1.00 1.52 S ATOM 0 H CYS A 18 -0.750 1.763 -9.874 1.00 34.12 H new ATOM 0 HA CYS A 18 1.835 0.646 -8.961 1.00 45.11 H new ATOM 0 HB2 CYS A 18 1.444 1.088 -11.453 1.00 64.03 H new ATOM 0 HB3 CYS A 18 1.332 2.791 -11.055 1.00 64.03 H new ATOM 268 N LYS A 19 1.913 2.393 -7.199 1.00 3.24 N ATOM 269 CA LYS A 19 2.132 3.436 -6.203 1.00 43.12 C ATOM 270 C LYS A 19 3.052 4.523 -6.747 1.00 10.21 C ATOM 271 O LYS A 19 4.275 4.398 -6.698 1.00 34.44 O ATOM 272 CB LYS A 19 2.731 2.835 -4.929 1.00 63.01 C ATOM 273 CG LYS A 19 2.016 1.583 -4.453 1.00 61.31 C ATOM 274 CD LYS A 19 0.529 1.829 -4.260 1.00 70.52 C ATOM 275 CE LYS A 19 0.268 2.819 -3.136 1.00 22.15 C ATOM 276 NZ LYS A 19 -1.186 3.082 -2.955 1.00 44.44 N ATOM 0 H LYS A 19 2.154 1.453 -6.885 1.00 3.24 H new ATOM 0 HA LYS A 19 1.168 3.886 -5.966 1.00 43.12 H new ATOM 0 HB2 LYS A 19 3.780 2.599 -5.107 1.00 63.01 H new ATOM 0 HB3 LYS A 19 2.703 3.583 -4.136 1.00 63.01 H new ATOM 0 HG2 LYS A 19 2.162 0.782 -5.178 1.00 61.31 H new ATOM 0 HG3 LYS A 19 2.455 1.247 -3.514 1.00 61.31 H new ATOM 0 HD2 LYS A 19 0.099 2.208 -5.187 1.00 70.52 H new ATOM 0 HD3 LYS A 19 0.029 0.886 -4.039 1.00 70.52 H new ATOM 0 HE2 LYS A 19 0.685 2.431 -2.207 1.00 22.15 H new ATOM 0 HE3 LYS A 19 0.783 3.756 -3.350 1.00 22.15 H new ATOM 0 HZ1 LYS A 19 -1.322 3.762 -2.180 1.00 44.44 H new ATOM 0 HZ2 LYS A 19 -1.580 3.476 -3.833 1.00 44.44 H new ATOM 0 HZ3 LYS A 19 -1.674 2.193 -2.725 1.00 44.44 H new ATOM 290 N GLY A 20 2.456 5.593 -7.265 1.00 4.31 N ATOM 291 CA GLY A 20 3.238 6.688 -7.809 1.00 14.44 C ATOM 292 C GLY A 20 2.516 7.418 -8.925 1.00 4.34 C ATOM 293 O GLY A 20 2.480 8.647 -8.948 1.00 51.44 O ATOM 0 H GLY A 20 1.445 5.721 -7.318 1.00 4.31 H new ATOM 0 HA2 GLY A 20 3.475 7.393 -7.012 1.00 14.44 H new ATOM 0 HA3 GLY A 20 4.186 6.302 -8.185 1.00 14.44 H new ATOM 434 N LEU A 29 7.263 5.999 -18.168 1.00 13.53 N ATOM 435 CA LEU A 29 7.433 5.064 -17.061 1.00 60.13 C ATOM 436 C LEU A 29 7.805 3.676 -17.574 1.00 40.32 C ATOM 437 O LEU A 29 7.616 3.368 -18.750 1.00 20.51 O ATOM 438 CB LEU A 29 6.149 4.986 -16.232 1.00 24.02 C ATOM 439 CG LEU A 29 4.850 4.819 -17.020 1.00 24.14 C ATOM 440 CD1 LEU A 29 4.761 3.422 -17.615 1.00 65.10 C ATOM 441 CD2 LEU A 29 3.648 5.100 -16.131 1.00 13.11 C ATOM 0 HA LEU A 29 8.244 5.428 -16.431 1.00 60.13 H new ATOM 0 HB2 LEU A 29 6.239 4.151 -15.538 1.00 24.02 H new ATOM 0 HB3 LEU A 29 6.072 5.893 -15.632 1.00 24.02 H new ATOM 0 HG LEU A 29 4.849 5.540 -17.838 1.00 24.14 H new ATOM 0 HD11 LEU A 29 3.829 3.322 -18.172 1.00 65.10 H new ATOM 0 HD12 LEU A 29 5.604 3.258 -18.286 1.00 65.10 H new ATOM 0 HD13 LEU A 29 4.785 2.683 -16.814 1.00 65.10 H new ATOM 0 HD21 LEU A 29 2.732 4.976 -16.708 1.00 13.11 H new ATOM 0 HD22 LEU A 29 3.645 4.404 -15.292 1.00 13.11 H new ATOM 0 HD23 LEU A 29 3.705 6.121 -15.755 1.00 13.11 H new ATOM 453 N GLU A 30 8.335 2.844 -16.682 1.00 71.54 N ATOM 454 CA GLU A 30 8.732 1.489 -17.045 1.00 63.54 C ATOM 455 C GLU A 30 7.973 0.458 -16.215 1.00 11.11 C ATOM 456 O GLU A 30 7.640 0.703 -15.056 1.00 11.14 O ATOM 457 CB GLU A 30 10.239 1.306 -16.852 1.00 10.22 C ATOM 458 CG GLU A 30 10.856 0.291 -17.799 1.00 32.44 C ATOM 459 CD GLU A 30 12.310 0.003 -17.479 1.00 34.44 C ATOM 460 OE1 GLU A 30 12.570 -0.893 -16.648 1.00 1.20 O ATOM 461 OE2 GLU A 30 13.188 0.674 -18.060 1.00 62.23 O ATOM 0 H GLU A 30 8.499 3.085 -15.704 1.00 71.54 H new ATOM 0 HA GLU A 30 8.486 1.336 -18.096 1.00 63.54 H new ATOM 0 HB2 GLU A 30 10.734 2.267 -16.991 1.00 10.22 H new ATOM 0 HB3 GLU A 30 10.430 0.995 -15.825 1.00 10.22 H new ATOM 0 HG2 GLU A 30 10.287 -0.637 -17.752 1.00 32.44 H new ATOM 0 HG3 GLU A 30 10.779 0.660 -18.822 1.00 32.44 H new ATOM 468 N TRP A 31 7.702 -0.694 -16.817 1.00 72.42 N ATOM 469 CA TRP A 31 6.981 -1.763 -16.134 1.00 22.14 C ATOM 470 C TRP A 31 7.657 -3.110 -16.365 1.00 44.34 C ATOM 471 O TRP A 31 8.102 -3.411 -17.474 1.00 15.55 O ATOM 472 CB TRP A 31 5.530 -1.816 -16.616 1.00 64.34 C ATOM 473 CG TRP A 31 4.575 -2.303 -15.570 1.00 70.41 C ATOM 474 CD1 TRP A 31 4.622 -3.497 -14.908 1.00 33.00 C ATOM 475 CD2 TRP A 31 3.429 -1.609 -15.067 1.00 34.42 C ATOM 476 NE1 TRP A 31 3.574 -3.587 -14.024 1.00 74.02 N ATOM 477 CE2 TRP A 31 2.828 -2.441 -14.101 1.00 50.34 C ATOM 478 CE3 TRP A 31 2.852 -0.365 -15.336 1.00 54.41 C ATOM 479 CZ2 TRP A 31 1.679 -2.067 -13.408 1.00 25.32 C ATOM 480 CZ3 TRP A 31 1.712 0.005 -14.647 1.00 71.11 C ATOM 481 CH2 TRP A 31 1.136 -0.844 -13.692 1.00 51.10 C ATOM 0 H TRP A 31 7.970 -0.912 -17.777 1.00 72.42 H new ATOM 0 HA TRP A 31 6.994 -1.551 -15.065 1.00 22.14 H new ATOM 0 HB2 TRP A 31 5.226 -0.821 -16.941 1.00 64.34 H new ATOM 0 HB3 TRP A 31 5.467 -2.468 -17.487 1.00 64.34 H new ATOM 0 HD1 TRP A 31 5.373 -4.259 -15.058 1.00 33.00 H new ATOM 0 HE1 TRP A 31 3.383 -4.379 -13.410 1.00 74.02 H new ATOM 0 HE3 TRP A 31 3.289 0.296 -16.070 1.00 54.41 H new ATOM 0 HZ2 TRP A 31 1.233 -2.720 -12.672 1.00 25.32 H new ATOM 0 HZ3 TRP A 31 1.258 0.964 -14.848 1.00 71.11 H new ATOM 0 HH2 TRP A 31 0.246 -0.526 -13.170 1.00 51.10 H new ATOM 492 N LYS A 32 7.732 -3.918 -15.313 1.00 14.22 N ATOM 493 CA LYS A 32 8.352 -5.235 -15.401 1.00 52.22 C ATOM 494 C LYS A 32 7.514 -6.281 -14.674 1.00 14.22 C ATOM 495 O LYS A 32 6.941 -6.008 -13.617 1.00 25.31 O ATOM 496 CB LYS A 32 9.763 -5.196 -14.812 1.00 33.02 C ATOM 497 CG LYS A 32 10.709 -6.209 -15.432 1.00 20.43 C ATOM 498 CD LYS A 32 12.161 -5.793 -15.264 1.00 50.14 C ATOM 499 CE LYS A 32 12.738 -6.299 -13.951 1.00 43.01 C ATOM 500 NZ LYS A 32 14.211 -6.092 -13.877 1.00 13.14 N ATOM 0 H LYS A 32 7.371 -3.684 -14.388 1.00 14.22 H new ATOM 0 HA LYS A 32 8.412 -5.512 -16.454 1.00 52.22 H new ATOM 0 HB2 LYS A 32 10.176 -4.196 -14.946 1.00 33.02 H new ATOM 0 HB3 LYS A 32 9.705 -5.376 -13.738 1.00 33.02 H new ATOM 0 HG2 LYS A 32 10.553 -7.184 -14.970 1.00 20.43 H new ATOM 0 HG3 LYS A 32 10.482 -6.319 -16.492 1.00 20.43 H new ATOM 0 HD2 LYS A 32 12.750 -6.181 -16.095 1.00 50.14 H new ATOM 0 HD3 LYS A 32 12.236 -4.706 -15.301 1.00 50.14 H new ATOM 0 HE2 LYS A 32 12.256 -5.784 -13.120 1.00 43.01 H new ATOM 0 HE3 LYS A 32 12.514 -7.360 -13.841 1.00 43.01 H new ATOM 0 HZ1 LYS A 32 14.567 -6.450 -12.967 1.00 13.14 H new ATOM 0 HZ2 LYS A 32 14.673 -6.604 -14.655 1.00 13.14 H new ATOM 0 HZ3 LYS A 32 14.423 -5.077 -13.957 1.00 13.14 H new ATOM 514 N LEU A 33 7.445 -7.479 -15.244 1.00 43.21 N ATOM 515 CA LEU A 33 6.678 -8.567 -14.649 1.00 35.35 C ATOM 516 C LEU A 33 7.472 -9.870 -14.672 1.00 12.52 C ATOM 517 O LEU A 33 8.080 -10.218 -15.682 1.00 2.21 O ATOM 518 CB LEU A 33 5.353 -8.750 -15.392 1.00 22.11 C ATOM 519 CG LEU A 33 4.455 -7.516 -15.476 1.00 61.22 C ATOM 520 CD1 LEU A 33 3.126 -7.867 -16.125 1.00 54.02 C ATOM 521 CD2 LEU A 33 4.234 -6.922 -14.092 1.00 40.10 C ATOM 0 H LEU A 33 7.911 -7.721 -16.118 1.00 43.21 H new ATOM 0 HA LEU A 33 6.472 -8.307 -13.611 1.00 35.35 H new ATOM 0 HB2 LEU A 33 5.571 -9.085 -16.406 1.00 22.11 H new ATOM 0 HB3 LEU A 33 4.794 -9.549 -14.905 1.00 22.11 H new ATOM 0 HG LEU A 33 4.953 -6.769 -16.095 1.00 61.22 H new ATOM 0 HD11 LEU A 33 2.500 -6.976 -16.176 1.00 54.02 H new ATOM 0 HD12 LEU A 33 3.302 -8.246 -17.132 1.00 54.02 H new ATOM 0 HD13 LEU A 33 2.622 -8.631 -15.533 1.00 54.02 H new ATOM 0 HD21 LEU A 33 3.592 -6.044 -14.171 1.00 40.10 H new ATOM 0 HD22 LEU A 33 3.758 -7.663 -13.450 1.00 40.10 H new ATOM 0 HD23 LEU A 33 5.193 -6.633 -13.663 1.00 40.10 H new ATOM 533 N ASN A 34 7.458 -10.585 -13.552 1.00 31.20 N ATOM 534 CA ASN A 34 8.175 -11.850 -13.445 1.00 4.31 C ATOM 535 C ASN A 34 7.207 -13.006 -13.211 1.00 51.30 C ATOM 536 O ASN A 34 6.468 -13.023 -12.226 1.00 63.15 O ATOM 537 CB ASN A 34 9.195 -11.787 -12.306 1.00 11.41 C ATOM 538 CG ASN A 34 10.179 -12.940 -12.347 1.00 1.10 C ATOM 539 OD1 ASN A 34 11.333 -12.711 -12.963 1.00 32.12 O flip ATOM 540 ND2 ASN A 34 9.905 -14.023 -11.830 1.00 65.30 N flip ATOM 0 H ASN A 34 6.958 -10.310 -12.706 1.00 31.20 H new ATOM 0 HA ASN A 34 8.699 -12.022 -14.385 1.00 4.31 H new ATOM 0 HB2 ASN A 34 9.741 -10.845 -12.362 1.00 11.41 H new ATOM 0 HB3 ASN A 34 8.670 -11.795 -11.351 1.00 11.41 H new ATOM 0 HD21 ASN A 34 9.006 -14.154 -11.367 1.00 65.30 H new ATOM 0 HD22 ASN A 34 10.577 -14.789 -11.865 1.00 65.30 H new ATOM 547 N THR A 35 7.218 -13.973 -14.125 1.00 31.24 N ATOM 548 CA THR A 35 6.342 -15.132 -14.019 1.00 74.43 C ATOM 549 C THR A 35 7.072 -16.411 -14.410 1.00 61.24 C ATOM 550 O THR A 35 8.238 -16.377 -14.802 1.00 0.20 O ATOM 551 CB THR A 35 5.093 -14.976 -14.908 1.00 51.44 C ATOM 552 OG1 THR A 35 5.392 -15.383 -16.249 1.00 14.23 O ATOM 553 CG2 THR A 35 4.605 -13.535 -14.907 1.00 21.04 C ATOM 0 H THR A 35 7.824 -13.975 -14.946 1.00 31.24 H new ATOM 0 HA THR A 35 6.031 -15.198 -12.976 1.00 74.43 H new ATOM 0 HB THR A 35 4.304 -15.610 -14.503 1.00 51.44 H new ATOM 0 HG1 THR A 35 4.741 -16.055 -16.540 1.00 14.23 H new ATOM 0 HG21 THR A 35 3.723 -13.449 -15.541 1.00 21.04 H new ATOM 0 HG22 THR A 35 4.351 -13.238 -13.890 1.00 21.04 H new ATOM 0 HG23 THR A 35 5.391 -12.884 -15.289 1.00 21.04 H new ATOM 561 N GLY A 36 6.379 -17.540 -14.302 1.00 63.53 N ATOM 562 CA GLY A 36 6.979 -18.816 -14.650 1.00 14.55 C ATOM 563 C GLY A 36 7.910 -19.332 -13.570 1.00 40.22 C ATOM 564 O GLY A 36 7.536 -19.400 -12.399 1.00 64.24 O ATOM 0 H GLY A 36 5.413 -17.595 -13.980 1.00 63.53 H new ATOM 0 HA2 GLY A 36 6.191 -19.548 -14.827 1.00 14.55 H new ATOM 0 HA3 GLY A 36 7.532 -18.711 -15.583 1.00 14.55 H new ATOM 568 N ARG A 37 9.126 -19.696 -13.965 1.00 21.51 N ATOM 569 CA ARG A 37 10.112 -20.211 -13.022 1.00 63.25 C ATOM 570 C ARG A 37 11.272 -19.234 -12.862 1.00 64.10 C ATOM 571 O ARG A 37 11.813 -19.070 -11.768 1.00 43.22 O ATOM 572 CB ARG A 37 10.636 -21.570 -13.492 1.00 33.23 C ATOM 573 CG ARG A 37 9.832 -22.747 -12.964 1.00 72.44 C ATOM 574 CD ARG A 37 8.411 -22.740 -13.505 1.00 44.55 C ATOM 575 NE ARG A 37 7.726 -24.006 -13.263 1.00 53.24 N ATOM 576 CZ ARG A 37 7.955 -25.111 -13.962 1.00 31.21 C ATOM 577 NH1 ARG A 37 8.849 -25.107 -14.942 1.00 13.10 N ATOM 578 NH2 ARG A 37 7.291 -26.225 -13.681 1.00 72.22 N ATOM 0 H ARG A 37 9.452 -19.644 -14.930 1.00 21.51 H new ATOM 0 HA ARG A 37 9.625 -20.332 -12.054 1.00 63.25 H new ATOM 0 HB2 ARG A 37 10.629 -21.596 -14.582 1.00 33.23 H new ATOM 0 HB3 ARG A 37 11.674 -21.679 -13.177 1.00 33.23 H new ATOM 0 HG2 ARG A 37 10.324 -23.679 -13.243 1.00 72.44 H new ATOM 0 HG3 ARG A 37 9.808 -22.713 -11.875 1.00 72.44 H new ATOM 0 HD2 ARG A 37 7.850 -21.930 -13.039 1.00 44.55 H new ATOM 0 HD3 ARG A 37 8.432 -22.538 -14.576 1.00 44.55 H new ATOM 0 HE ARG A 37 7.033 -24.044 -12.515 1.00 53.24 H new ATOM 0 HH11 ARG A 37 9.363 -24.253 -15.160 1.00 13.10 H new ATOM 0 HH12 ARG A 37 9.023 -25.958 -15.477 1.00 13.10 H new ATOM 0 HH21 ARG A 37 6.604 -26.233 -12.927 1.00 72.22 H new ATOM 0 HH22 ARG A 37 7.468 -27.073 -14.219 1.00 72.22 H new ATOM 592 N THR A 38 11.652 -18.588 -13.961 1.00 21.24 N ATOM 593 CA THR A 38 12.749 -17.630 -13.943 1.00 14.44 C ATOM 594 C THR A 38 13.031 -17.090 -15.340 1.00 53.34 C ATOM 595 O THR A 38 13.469 -15.951 -15.498 1.00 72.24 O ATOM 596 CB THR A 38 14.037 -18.259 -13.379 1.00 11.43 C ATOM 597 OG1 THR A 38 15.139 -17.362 -13.554 1.00 54.52 O ATOM 598 CG2 THR A 38 14.339 -19.581 -14.068 1.00 64.31 C ATOM 0 H THR A 38 11.215 -18.712 -14.874 1.00 21.24 H new ATOM 0 HA THR A 38 12.440 -16.810 -13.295 1.00 14.44 H new ATOM 0 HB THR A 38 13.888 -18.446 -12.316 1.00 11.43 H new ATOM 0 HG1 THR A 38 15.953 -17.769 -13.191 1.00 54.52 H new ATOM 0 HG21 THR A 38 15.253 -20.007 -13.654 1.00 64.31 H new ATOM 0 HG22 THR A 38 13.511 -20.272 -13.908 1.00 64.31 H new ATOM 0 HG23 THR A 38 14.469 -19.413 -15.137 1.00 64.31 H new ATOM 606 N GLU A 39 12.774 -17.914 -16.351 1.00 31.12 N ATOM 607 CA GLU A 39 13.001 -17.518 -17.736 1.00 61.11 C ATOM 608 C GLU A 39 11.685 -17.168 -18.424 1.00 33.32 C ATOM 609 O GLU A 39 11.517 -17.400 -19.621 1.00 75.41 O ATOM 610 CB GLU A 39 13.707 -18.639 -18.501 1.00 74.51 C ATOM 611 CG GLU A 39 13.147 -20.022 -18.209 1.00 72.22 C ATOM 612 CD GLU A 39 13.849 -21.113 -18.995 1.00 40.12 C ATOM 613 OE1 GLU A 39 14.844 -20.801 -19.682 1.00 25.44 O ATOM 614 OE2 GLU A 39 13.403 -22.277 -18.923 1.00 41.10 O ATOM 0 H GLU A 39 12.409 -18.859 -16.237 1.00 31.12 H new ATOM 0 HA GLU A 39 13.637 -16.633 -17.735 1.00 61.11 H new ATOM 0 HB2 GLU A 39 13.629 -18.443 -19.570 1.00 74.51 H new ATOM 0 HB3 GLU A 39 14.768 -18.626 -18.251 1.00 74.51 H new ATOM 0 HG2 GLU A 39 13.240 -20.230 -17.143 1.00 72.22 H new ATOM 0 HG3 GLU A 39 12.083 -20.036 -18.445 1.00 72.22 H new ATOM 621 N ALA A 40 10.754 -16.610 -17.658 1.00 12.31 N ATOM 622 CA ALA A 40 9.453 -16.226 -18.192 1.00 40.11 C ATOM 623 C ALA A 40 9.183 -14.742 -17.968 1.00 1.51 C ATOM 624 O ALA A 40 8.190 -14.201 -18.456 1.00 32.22 O ATOM 625 CB ALA A 40 8.353 -17.066 -17.559 1.00 43.03 C ATOM 0 H ALA A 40 10.876 -16.414 -16.665 1.00 12.31 H new ATOM 0 HA ALA A 40 9.462 -16.409 -19.267 1.00 40.11 H new ATOM 0 HB1 ALA A 40 7.387 -16.768 -17.967 1.00 43.03 H new ATOM 0 HB2 ALA A 40 8.529 -18.120 -17.776 1.00 43.03 H new ATOM 0 HB3 ALA A 40 8.354 -16.913 -16.480 1.00 43.03 H new ATOM 631 N TRP A 41 10.071 -14.089 -17.228 1.00 3.34 N ATOM 632 CA TRP A 41 9.928 -12.667 -16.939 1.00 30.13 C ATOM 633 C TRP A 41 9.923 -11.848 -18.224 1.00 3.30 C ATOM 634 O TRP A 41 10.763 -12.047 -19.103 1.00 2.34 O ATOM 635 CB TRP A 41 11.059 -12.195 -16.023 1.00 34.23 C ATOM 636 CG TRP A 41 12.240 -11.654 -16.768 1.00 23.54 C ATOM 637 CD1 TRP A 41 12.598 -10.342 -16.897 1.00 64.44 C ATOM 638 CD2 TRP A 41 13.219 -12.411 -17.488 1.00 72.45 C ATOM 639 NE1 TRP A 41 13.740 -10.239 -17.655 1.00 4.20 N ATOM 640 CE2 TRP A 41 14.142 -11.493 -18.029 1.00 73.33 C ATOM 641 CE3 TRP A 41 13.407 -13.775 -17.729 1.00 52.21 C ATOM 642 CZ2 TRP A 41 15.232 -11.898 -18.794 1.00 32.11 C ATOM 643 CZ3 TRP A 41 14.490 -14.174 -18.488 1.00 75.43 C ATOM 644 CH2 TRP A 41 15.391 -13.240 -19.013 1.00 41.35 C ATOM 0 H TRP A 41 10.898 -14.522 -16.817 1.00 3.34 H new ATOM 0 HA TRP A 41 8.974 -12.519 -16.433 1.00 30.13 H new ATOM 0 HB2 TRP A 41 10.677 -11.424 -15.353 1.00 34.23 H new ATOM 0 HB3 TRP A 41 11.383 -13.028 -15.399 1.00 34.23 H new ATOM 0 HD1 TRP A 41 12.063 -9.509 -16.467 1.00 64.44 H new ATOM 0 HE1 TRP A 41 14.212 -9.368 -17.899 1.00 4.20 H new ATOM 0 HE3 TRP A 41 12.718 -14.504 -17.329 1.00 52.21 H new ATOM 0 HZ2 TRP A 41 15.928 -11.179 -19.200 1.00 32.11 H new ATOM 0 HZ3 TRP A 41 14.644 -15.226 -18.680 1.00 75.43 H new ATOM 0 HH2 TRP A 41 16.228 -13.585 -19.602 1.00 41.35 H new ATOM 655 N LYS A 42 8.973 -10.925 -18.329 1.00 62.24 N ATOM 656 CA LYS A 42 8.860 -10.074 -19.508 1.00 10.33 C ATOM 657 C LYS A 42 8.780 -8.603 -19.111 1.00 22.14 C ATOM 658 O LYS A 42 8.413 -8.273 -17.983 1.00 23.13 O ATOM 659 CB LYS A 42 7.626 -10.461 -20.325 1.00 54.50 C ATOM 660 CG LYS A 42 7.339 -11.952 -20.326 1.00 43.00 C ATOM 661 CD LYS A 42 6.238 -12.309 -19.342 1.00 12.02 C ATOM 662 CE LYS A 42 4.898 -11.732 -19.772 1.00 33.04 C ATOM 663 NZ LYS A 42 3.851 -12.786 -19.882 1.00 54.21 N ATOM 0 H LYS A 42 8.270 -10.747 -17.612 1.00 62.24 H new ATOM 0 HA LYS A 42 9.752 -10.220 -20.118 1.00 10.33 H new ATOM 0 HB2 LYS A 42 6.759 -9.933 -19.929 1.00 54.50 H new ATOM 0 HB3 LYS A 42 7.762 -10.125 -21.353 1.00 54.50 H new ATOM 0 HG2 LYS A 42 7.048 -12.267 -21.328 1.00 43.00 H new ATOM 0 HG3 LYS A 42 8.247 -12.498 -20.071 1.00 43.00 H new ATOM 0 HD2 LYS A 42 6.159 -13.393 -19.260 1.00 12.02 H new ATOM 0 HD3 LYS A 42 6.497 -11.933 -18.352 1.00 12.02 H new ATOM 0 HE2 LYS A 42 4.580 -10.977 -19.053 1.00 33.04 H new ATOM 0 HE3 LYS A 42 5.010 -11.230 -20.733 1.00 33.04 H new ATOM 0 HZ1 LYS A 42 3.199 -12.548 -20.657 1.00 54.21 H new ATOM 0 HZ2 LYS A 42 4.301 -13.703 -20.077 1.00 54.21 H new ATOM 0 HZ3 LYS A 42 3.321 -12.843 -18.989 1.00 54.21 H new ATOM 677 N VAL A 43 9.125 -7.722 -20.045 1.00 64.32 N ATOM 678 CA VAL A 43 9.089 -6.287 -19.794 1.00 3.34 C ATOM 679 C VAL A 43 7.784 -5.675 -20.289 1.00 2.51 C ATOM 680 O VAL A 43 7.460 -5.750 -21.475 1.00 43.13 O ATOM 681 CB VAL A 43 10.271 -5.569 -20.473 1.00 1.23 C ATOM 682 CG1 VAL A 43 10.199 -4.071 -20.224 1.00 51.42 C ATOM 683 CG2 VAL A 43 11.593 -6.137 -19.981 1.00 21.32 C ATOM 0 H VAL A 43 9.433 -7.978 -20.983 1.00 64.32 H new ATOM 0 HA VAL A 43 9.163 -6.152 -18.715 1.00 3.34 H new ATOM 0 HB VAL A 43 10.208 -5.738 -21.548 1.00 1.23 H new ATOM 0 HG11 VAL A 43 11.042 -3.580 -20.711 1.00 51.42 H new ATOM 0 HG12 VAL A 43 9.267 -3.679 -20.630 1.00 51.42 H new ATOM 0 HG13 VAL A 43 10.237 -3.878 -19.152 1.00 51.42 H new ATOM 0 HG21 VAL A 43 12.417 -5.618 -20.471 1.00 21.32 H new ATOM 0 HG22 VAL A 43 11.669 -6.001 -18.902 1.00 21.32 H new ATOM 0 HG23 VAL A 43 11.642 -7.200 -20.217 1.00 21.32 H new ATOM 693 N LEU A 44 7.038 -5.067 -19.374 1.00 14.22 N ATOM 694 CA LEU A 44 5.766 -4.440 -19.716 1.00 52.41 C ATOM 695 C LEU A 44 5.952 -2.953 -20.002 1.00 52.22 C ATOM 696 O LEU A 44 6.790 -2.293 -19.389 1.00 42.03 O ATOM 697 CB LEU A 44 4.759 -4.630 -18.581 1.00 55.04 C ATOM 698 CG LEU A 44 3.795 -5.807 -18.729 1.00 73.12 C ATOM 699 CD1 LEU A 44 2.779 -5.530 -19.826 1.00 72.45 C ATOM 700 CD2 LEU A 44 4.560 -7.090 -19.021 1.00 34.24 C ATOM 0 H LEU A 44 7.292 -4.995 -18.389 1.00 14.22 H new ATOM 0 HA LEU A 44 5.383 -4.920 -20.617 1.00 52.41 H new ATOM 0 HB2 LEU A 44 5.311 -4.753 -17.649 1.00 55.04 H new ATOM 0 HB3 LEU A 44 4.173 -3.716 -18.485 1.00 55.04 H new ATOM 0 HG LEU A 44 3.259 -5.933 -17.788 1.00 73.12 H new ATOM 0 HD11 LEU A 44 2.101 -6.379 -19.917 1.00 72.45 H new ATOM 0 HD12 LEU A 44 2.209 -4.635 -19.576 1.00 72.45 H new ATOM 0 HD13 LEU A 44 3.298 -5.377 -20.772 1.00 72.45 H new ATOM 0 HD21 LEU A 44 3.858 -7.917 -19.123 1.00 34.24 H new ATOM 0 HD22 LEU A 44 5.123 -6.975 -19.947 1.00 34.24 H new ATOM 0 HD23 LEU A 44 5.248 -7.298 -18.202 1.00 34.24 H new ATOM 712 N SER A 45 5.164 -2.432 -20.937 1.00 75.22 N ATOM 713 CA SER A 45 5.242 -1.024 -21.306 1.00 51.32 C ATOM 714 C SER A 45 3.875 -0.355 -21.192 1.00 42.14 C ATOM 715 O SER A 45 2.836 -1.014 -21.136 1.00 23.15 O ATOM 716 CB SER A 45 5.777 -0.877 -22.731 1.00 71.54 C ATOM 717 OG SER A 45 7.122 -0.430 -22.728 1.00 23.35 O ATOM 0 H SER A 45 4.464 -2.965 -21.453 1.00 75.22 H new ATOM 0 HA SER A 45 5.927 -0.531 -20.616 1.00 51.32 H new ATOM 0 HB2 SER A 45 5.710 -1.834 -23.248 1.00 71.54 H new ATOM 0 HB3 SER A 45 5.157 -0.171 -23.284 1.00 71.54 H new ATOM 0 HG SER A 45 7.441 -0.346 -23.651 1.00 23.35 H new ATOM 723 N PRO A 46 3.874 0.985 -21.159 1.00 52.20 N ATOM 724 CA PRO A 46 2.643 1.774 -21.053 1.00 70.44 C ATOM 725 C PRO A 46 1.801 1.707 -22.323 1.00 12.15 C ATOM 726 O PRO A 46 0.734 2.315 -22.402 1.00 11.32 O ATOM 727 CB PRO A 46 3.153 3.198 -20.824 1.00 52.52 C ATOM 728 CG PRO A 46 4.514 3.216 -21.427 1.00 64.12 C ATOM 729 CD PRO A 46 5.075 1.835 -21.223 1.00 11.53 C ATOM 0 HA PRO A 46 1.991 1.408 -20.260 1.00 70.44 H new ATOM 0 HB2 PRO A 46 2.501 3.932 -21.297 1.00 52.52 H new ATOM 0 HB3 PRO A 46 3.188 3.440 -19.762 1.00 52.52 H new ATOM 0 HG2 PRO A 46 4.468 3.466 -22.487 1.00 64.12 H new ATOM 0 HG3 PRO A 46 5.143 3.967 -20.949 1.00 64.12 H new ATOM 0 HD2 PRO A 46 5.731 1.543 -22.043 1.00 11.53 H new ATOM 0 HD3 PRO A 46 5.662 1.771 -20.307 1.00 11.53 H new ATOM 737 N GLN A 47 2.287 0.965 -23.311 1.00 71.44 N ATOM 738 CA GLN A 47 1.578 0.820 -24.577 1.00 71.53 C ATOM 739 C GLN A 47 1.232 -0.641 -24.843 1.00 45.04 C ATOM 740 O GLN A 47 1.822 -1.281 -25.713 1.00 34.53 O ATOM 741 CB GLN A 47 2.423 1.373 -25.726 1.00 0.04 C ATOM 742 CG GLN A 47 1.716 1.343 -27.071 1.00 64.33 C ATOM 743 CD GLN A 47 0.867 2.576 -27.312 1.00 63.33 C ATOM 744 OE1 GLN A 47 1.361 3.602 -27.781 1.00 4.13 O ATOM 745 NE2 GLN A 47 -0.418 2.481 -26.994 1.00 33.42 N ATOM 0 H GLN A 47 3.169 0.455 -23.260 1.00 71.44 H new ATOM 0 HA GLN A 47 0.650 1.388 -24.511 1.00 71.53 H new ATOM 0 HB2 GLN A 47 2.705 2.400 -25.496 1.00 0.04 H new ATOM 0 HB3 GLN A 47 3.346 0.797 -25.797 1.00 0.04 H new ATOM 0 HG2 GLN A 47 2.458 1.256 -27.865 1.00 64.33 H new ATOM 0 HG3 GLN A 47 1.085 0.456 -27.126 1.00 64.33 H new ATOM 0 HE21 GLN A 47 -0.785 1.611 -26.608 1.00 33.42 H new ATOM 0 HE22 GLN A 47 -1.039 3.278 -27.136 1.00 33.42 H new ATOM 852 N ALA A 56 -1.339 -8.590 -21.503 1.00 31.44 N ATOM 853 CA ALA A 56 -2.150 -7.597 -20.808 1.00 44.22 C ATOM 854 C ALA A 56 -1.840 -6.190 -21.306 1.00 44.14 C ATOM 855 O ALA A 56 -0.930 -5.992 -22.112 1.00 22.21 O ATOM 856 CB ALA A 56 -1.926 -7.689 -19.306 1.00 61.10 C ATOM 0 HA ALA A 56 -3.198 -7.807 -21.021 1.00 44.22 H new ATOM 0 HB1 ALA A 56 -2.538 -6.942 -18.800 1.00 61.10 H new ATOM 0 HB2 ALA A 56 -2.205 -8.683 -18.957 1.00 61.10 H new ATOM 0 HB3 ALA A 56 -0.874 -7.508 -19.083 1.00 61.10 H new ATOM 862 N ARG A 57 -2.603 -5.214 -20.823 1.00 21.53 N ATOM 863 CA ARG A 57 -2.410 -3.826 -21.221 1.00 51.34 C ATOM 864 C ARG A 57 -2.157 -2.941 -20.004 1.00 50.21 C ATOM 865 O ARG A 57 -2.456 -3.323 -18.873 1.00 5.11 O ATOM 866 CB ARG A 57 -3.633 -3.318 -21.988 1.00 50.33 C ATOM 867 CG ARG A 57 -4.916 -4.056 -21.645 1.00 61.41 C ATOM 868 CD ARG A 57 -5.952 -3.915 -22.749 1.00 52.21 C ATOM 869 NE ARG A 57 -7.050 -3.035 -22.359 1.00 52.33 N ATOM 870 CZ ARG A 57 -7.993 -2.620 -23.198 1.00 54.10 C ATOM 871 NH1 ARG A 57 -7.971 -3.005 -24.467 1.00 52.51 N ATOM 872 NH2 ARG A 57 -8.961 -1.820 -22.769 1.00 22.44 N ATOM 0 H ARG A 57 -3.360 -5.360 -20.156 1.00 21.53 H new ATOM 0 HA ARG A 57 -1.536 -3.779 -21.871 1.00 51.34 H new ATOM 0 HB2 ARG A 57 -3.767 -2.257 -21.779 1.00 50.33 H new ATOM 0 HB3 ARG A 57 -3.445 -3.411 -23.058 1.00 50.33 H new ATOM 0 HG2 ARG A 57 -4.698 -5.111 -21.482 1.00 61.41 H new ATOM 0 HG3 ARG A 57 -5.322 -3.667 -20.711 1.00 61.41 H new ATOM 0 HD2 ARG A 57 -5.474 -3.523 -23.647 1.00 52.21 H new ATOM 0 HD3 ARG A 57 -6.348 -4.898 -23.003 1.00 52.21 H new ATOM 0 HE ARG A 57 -7.096 -2.722 -21.389 1.00 52.33 H new ATOM 0 HH11 ARG A 57 -7.229 -3.621 -24.800 1.00 52.51 H new ATOM 0 HH12 ARG A 57 -8.696 -2.685 -25.110 1.00 52.51 H new ATOM 0 HH21 ARG A 57 -8.982 -1.523 -21.794 1.00 22.44 H new ATOM 0 HH22 ARG A 57 -9.684 -1.503 -23.415 1.00 22.44 H new ATOM 886 N VAL A 58 -1.603 -1.756 -20.244 1.00 33.32 N ATOM 887 CA VAL A 58 -1.310 -0.817 -19.169 1.00 34.34 C ATOM 888 C VAL A 58 -2.272 0.365 -19.194 1.00 40.42 C ATOM 889 O VAL A 58 -2.474 0.994 -20.234 1.00 23.41 O ATOM 890 CB VAL A 58 0.135 -0.292 -19.260 1.00 21.22 C ATOM 891 CG1 VAL A 58 0.322 0.917 -18.357 1.00 11.43 C ATOM 892 CG2 VAL A 58 1.124 -1.392 -18.905 1.00 4.22 C ATOM 0 H VAL A 58 -1.348 -1.424 -21.174 1.00 33.32 H new ATOM 0 HA VAL A 58 -1.432 -1.361 -18.232 1.00 34.34 H new ATOM 0 HB VAL A 58 0.326 0.020 -20.287 1.00 21.22 H new ATOM 0 HG11 VAL A 58 1.349 1.274 -18.435 1.00 11.43 H new ATOM 0 HG12 VAL A 58 -0.361 1.709 -18.663 1.00 11.43 H new ATOM 0 HG13 VAL A 58 0.113 0.636 -17.325 1.00 11.43 H new ATOM 0 HG21 VAL A 58 2.140 -1.004 -18.974 1.00 4.22 H new ATOM 0 HG22 VAL A 58 0.936 -1.736 -17.888 1.00 4.22 H new ATOM 0 HG23 VAL A 58 1.006 -2.225 -19.598 1.00 4.22 H new ATOM 902 N LEU A 59 -2.862 0.665 -18.043 1.00 53.11 N ATOM 903 CA LEU A 59 -3.804 1.774 -17.932 1.00 25.13 C ATOM 904 C LEU A 59 -3.087 3.113 -18.072 1.00 13.45 C ATOM 905 O LEU A 59 -1.879 3.224 -17.858 1.00 51.24 O ATOM 906 CB LEU A 59 -4.538 1.714 -16.591 1.00 21.31 C ATOM 907 CG LEU A 59 -5.547 0.577 -16.430 1.00 13.05 C ATOM 908 CD1 LEU A 59 -4.837 -0.722 -16.082 1.00 32.54 C ATOM 909 CD2 LEU A 59 -6.578 0.925 -15.365 1.00 2.23 C ATOM 0 H LEU A 59 -2.705 0.156 -17.173 1.00 53.11 H new ATOM 0 HA LEU A 59 -4.529 1.684 -18.741 1.00 25.13 H new ATOM 0 HB2 LEU A 59 -3.796 1.630 -15.797 1.00 21.31 H new ATOM 0 HB3 LEU A 59 -5.059 2.660 -16.442 1.00 21.31 H new ATOM 0 HG LEU A 59 -6.066 0.441 -17.379 1.00 13.05 H new ATOM 0 HD11 LEU A 59 -5.571 -1.520 -15.971 1.00 32.54 H new ATOM 0 HD12 LEU A 59 -4.139 -0.980 -16.878 1.00 32.54 H new ATOM 0 HD13 LEU A 59 -4.291 -0.599 -15.147 1.00 32.54 H new ATOM 0 HD21 LEU A 59 -7.288 0.104 -15.264 1.00 2.23 H new ATOM 0 HD22 LEU A 59 -6.075 1.089 -14.412 1.00 2.23 H new ATOM 0 HD23 LEU A 59 -7.110 1.831 -15.656 1.00 2.23 H new ATOM 921 N PRO A 60 -3.847 4.156 -18.437 1.00 3.31 N ATOM 922 CA PRO A 60 -3.306 5.507 -18.612 1.00 0.51 C ATOM 923 C PRO A 60 -2.897 6.143 -17.287 1.00 74.13 C ATOM 924 O PRO A 60 -2.066 7.050 -17.254 1.00 33.33 O ATOM 925 CB PRO A 60 -4.470 6.277 -19.238 1.00 52.45 C ATOM 926 CG PRO A 60 -5.690 5.545 -18.798 1.00 31.00 C ATOM 927 CD PRO A 60 -5.293 4.097 -18.709 1.00 31.14 C ATOM 0 HA PRO A 60 -2.401 5.508 -19.220 1.00 0.51 H new ATOM 0 HB2 PRO A 60 -4.487 7.313 -18.900 1.00 52.45 H new ATOM 0 HB3 PRO A 60 -4.392 6.298 -20.325 1.00 52.45 H new ATOM 0 HG2 PRO A 60 -6.040 5.914 -17.834 1.00 31.00 H new ATOM 0 HG3 PRO A 60 -6.506 5.683 -19.508 1.00 31.00 H new ATOM 0 HD2 PRO A 60 -5.831 3.581 -17.914 1.00 31.14 H new ATOM 0 HD3 PRO A 60 -5.506 3.564 -19.636 1.00 31.14 H new ATOM 935 N ASN A 61 -3.487 5.661 -16.197 1.00 52.45 N ATOM 936 CA ASN A 61 -3.185 6.184 -14.870 1.00 70.31 C ATOM 937 C ASN A 61 -1.937 5.519 -14.296 1.00 40.23 C ATOM 938 O ASN A 61 -1.552 5.778 -13.157 1.00 15.45 O ATOM 939 CB ASN A 61 -4.372 5.965 -13.930 1.00 31.21 C ATOM 940 CG ASN A 61 -5.025 4.610 -14.129 1.00 40.44 C ATOM 941 OD1 ASN A 61 -5.677 4.366 -15.144 1.00 42.41 O ATOM 942 ND2 ASN A 61 -4.852 3.722 -13.158 1.00 2.22 N ATOM 0 H ASN A 61 -4.177 4.909 -16.207 1.00 52.45 H new ATOM 0 HA ASN A 61 -2.996 7.254 -14.962 1.00 70.31 H new ATOM 0 HB2 ASN A 61 -4.035 6.055 -12.897 1.00 31.21 H new ATOM 0 HB3 ASN A 61 -5.111 6.749 -14.094 1.00 31.21 H new ATOM 0 HD21 ASN A 61 -5.268 2.794 -13.236 1.00 2.22 H new ATOM 0 HD22 ASN A 61 -4.303 3.968 -12.334 1.00 2.22 H new ATOM 949 N GLY A 62 -1.310 4.661 -15.094 1.00 44.33 N ATOM 950 CA GLY A 62 -0.112 3.973 -14.648 1.00 63.33 C ATOM 951 C GLY A 62 -0.421 2.653 -13.969 1.00 25.11 C ATOM 952 O GLY A 62 0.364 2.169 -13.154 1.00 70.32 O ATOM 0 H GLY A 62 -1.610 4.430 -16.041 1.00 44.33 H new ATOM 0 HA2 GLY A 62 0.540 3.795 -15.503 1.00 63.33 H new ATOM 0 HA3 GLY A 62 0.436 4.614 -13.957 1.00 63.33 H new ATOM 956 N SER A 63 -1.567 2.071 -14.305 1.00 33.11 N ATOM 957 CA SER A 63 -1.981 0.802 -13.718 1.00 35.45 C ATOM 958 C SER A 63 -1.826 -0.337 -14.721 1.00 11.34 C ATOM 959 O SER A 63 -1.405 -0.125 -15.858 1.00 43.21 O ATOM 960 CB SER A 63 -3.433 0.884 -13.241 1.00 61.05 C ATOM 961 OG SER A 63 -3.507 1.374 -11.914 1.00 75.22 O ATOM 0 H SER A 63 -2.226 2.458 -14.981 1.00 33.11 H new ATOM 0 HA SER A 63 -1.337 0.599 -12.862 1.00 35.45 H new ATOM 0 HB2 SER A 63 -4.001 1.536 -13.905 1.00 61.05 H new ATOM 0 HB3 SER A 63 -3.893 -0.103 -13.294 1.00 61.05 H new ATOM 0 HG SER A 63 -3.112 2.270 -11.874 1.00 75.22 H new ATOM 967 N LEU A 64 -2.170 -1.546 -14.291 1.00 15.31 N ATOM 968 CA LEU A 64 -2.071 -2.720 -15.151 1.00 73.13 C ATOM 969 C LEU A 64 -3.365 -3.528 -15.122 1.00 5.41 C ATOM 970 O LEU A 64 -3.865 -3.880 -14.054 1.00 55.04 O ATOM 971 CB LEU A 64 -0.898 -3.599 -14.712 1.00 72.15 C ATOM 972 CG LEU A 64 -0.918 -5.044 -15.213 1.00 52.12 C ATOM 973 CD1 LEU A 64 -1.149 -5.085 -16.716 1.00 71.31 C ATOM 974 CD2 LEU A 64 0.379 -5.752 -14.851 1.00 31.53 C ATOM 0 H LEU A 64 -2.520 -1.739 -13.352 1.00 15.31 H new ATOM 0 HA LEU A 64 -1.901 -2.379 -16.172 1.00 73.13 H new ATOM 0 HB2 LEU A 64 0.027 -3.131 -15.050 1.00 72.15 H new ATOM 0 HB3 LEU A 64 -0.869 -3.614 -13.622 1.00 72.15 H new ATOM 0 HG LEU A 64 -1.741 -5.566 -14.726 1.00 52.12 H new ATOM 0 HD11 LEU A 64 -1.160 -6.121 -17.054 1.00 71.31 H new ATOM 0 HD12 LEU A 64 -2.105 -4.617 -16.950 1.00 71.31 H new ATOM 0 HD13 LEU A 64 -0.348 -4.547 -17.222 1.00 71.31 H new ATOM 0 HD21 LEU A 64 0.347 -6.779 -15.215 1.00 31.53 H new ATOM 0 HD22 LEU A 64 1.219 -5.230 -15.310 1.00 31.53 H new ATOM 0 HD23 LEU A 64 0.502 -5.755 -13.768 1.00 31.53 H new ATOM 986 N PHE A 65 -3.901 -3.819 -16.303 1.00 13.23 N ATOM 987 CA PHE A 65 -5.136 -4.586 -16.414 1.00 34.12 C ATOM 988 C PHE A 65 -4.947 -5.792 -17.328 1.00 35.12 C ATOM 989 O PHE A 65 -4.450 -5.665 -18.448 1.00 74.55 O ATOM 990 CB PHE A 65 -6.266 -3.701 -16.945 1.00 20.14 C ATOM 991 CG PHE A 65 -7.316 -4.460 -17.703 1.00 61.03 C ATOM 992 CD1 PHE A 65 -8.045 -5.463 -17.086 1.00 74.24 C ATOM 993 CD2 PHE A 65 -7.574 -4.171 -19.034 1.00 53.20 C ATOM 994 CE1 PHE A 65 -9.013 -6.164 -17.782 1.00 2.02 C ATOM 995 CE2 PHE A 65 -8.540 -4.868 -19.734 1.00 63.13 C ATOM 996 CZ PHE A 65 -9.261 -5.865 -19.107 1.00 22.41 C ATOM 0 H PHE A 65 -3.499 -3.535 -17.197 1.00 13.23 H new ATOM 0 HA PHE A 65 -5.402 -4.944 -15.419 1.00 34.12 H new ATOM 0 HB2 PHE A 65 -6.736 -3.184 -16.108 1.00 20.14 H new ATOM 0 HB3 PHE A 65 -5.842 -2.935 -17.595 1.00 20.14 H new ATOM 0 HD1 PHE A 65 -7.855 -5.700 -16.050 1.00 74.24 H new ATOM 0 HD2 PHE A 65 -7.013 -3.392 -19.529 1.00 53.20 H new ATOM 0 HE1 PHE A 65 -9.574 -6.944 -17.290 1.00 2.02 H new ATOM 0 HE2 PHE A 65 -8.731 -4.633 -20.771 1.00 63.13 H new ATOM 0 HZ PHE A 65 -10.018 -6.410 -19.652 1.00 22.41 H new ATOM 1006 N LEU A 66 -5.345 -6.963 -16.843 1.00 73.41 N ATOM 1007 CA LEU A 66 -5.220 -8.194 -17.615 1.00 72.32 C ATOM 1008 C LEU A 66 -6.589 -8.808 -17.889 1.00 52.52 C ATOM 1009 O LEU A 66 -7.418 -8.963 -16.992 1.00 12.22 O ATOM 1010 CB LEU A 66 -4.338 -9.199 -16.872 1.00 1.32 C ATOM 1011 CG LEU A 66 -2.996 -8.669 -16.367 1.00 3.11 C ATOM 1012 CD1 LEU A 66 -3.066 -8.369 -14.878 1.00 31.11 C ATOM 1013 CD2 LEU A 66 -1.885 -9.667 -16.660 1.00 43.24 C ATOM 0 H LEU A 66 -5.757 -7.086 -15.918 1.00 73.41 H new ATOM 0 HA LEU A 66 -4.755 -7.948 -18.570 1.00 72.32 H new ATOM 0 HB2 LEU A 66 -4.898 -9.583 -16.020 1.00 1.32 H new ATOM 0 HB3 LEU A 66 -4.147 -10.043 -17.534 1.00 1.32 H new ATOM 0 HG LEU A 66 -2.772 -7.741 -16.893 1.00 3.11 H new ATOM 0 HD11 LEU A 66 -2.102 -7.993 -14.537 1.00 31.11 H new ATOM 0 HD12 LEU A 66 -3.834 -7.618 -14.694 1.00 31.11 H new ATOM 0 HD13 LEU A 66 -3.313 -9.281 -14.334 1.00 31.11 H new ATOM 0 HD21 LEU A 66 -0.937 -9.274 -16.294 1.00 43.24 H new ATOM 0 HD22 LEU A 66 -2.103 -10.611 -16.161 1.00 43.24 H new ATOM 0 HD23 LEU A 66 -1.818 -9.832 -17.735 1.00 43.24 H new ATOM 1025 N PRO A 67 -6.835 -9.166 -19.158 1.00 62.14 N ATOM 1026 CA PRO A 67 -8.101 -9.771 -19.580 1.00 34.42 C ATOM 1027 C PRO A 67 -8.275 -11.188 -19.042 1.00 12.33 C ATOM 1028 O PRO A 67 -9.391 -11.623 -18.762 1.00 73.11 O ATOM 1029 CB PRO A 67 -7.996 -9.788 -21.106 1.00 54.12 C ATOM 1030 CG PRO A 67 -6.534 -9.803 -21.385 1.00 25.23 C ATOM 1031 CD PRO A 67 -5.893 -9.011 -20.280 1.00 1.02 C ATOM 0 HA PRO A 67 -8.962 -9.217 -19.205 1.00 34.42 H new ATOM 0 HB2 PRO A 67 -8.488 -10.665 -21.527 1.00 54.12 H new ATOM 0 HB3 PRO A 67 -8.474 -8.912 -21.545 1.00 54.12 H new ATOM 0 HG2 PRO A 67 -6.151 -10.823 -21.406 1.00 25.23 H new ATOM 0 HG3 PRO A 67 -6.318 -9.361 -22.358 1.00 25.23 H new ATOM 0 HD2 PRO A 67 -4.904 -9.396 -20.031 1.00 1.02 H new ATOM 0 HD3 PRO A 67 -5.767 -7.964 -20.557 1.00 1.02 H new ATOM 1039 N ALA A 68 -7.164 -11.901 -18.899 1.00 24.33 N ATOM 1040 CA ALA A 68 -7.193 -13.268 -18.393 1.00 5.13 C ATOM 1041 C ALA A 68 -5.798 -13.735 -17.992 1.00 33.34 C ATOM 1042 O ALA A 68 -4.984 -14.095 -18.842 1.00 41.35 O ATOM 1043 CB ALA A 68 -7.786 -14.205 -19.435 1.00 15.42 C ATOM 0 H ALA A 68 -6.232 -11.555 -19.126 1.00 24.33 H new ATOM 0 HA ALA A 68 -7.823 -13.286 -17.504 1.00 5.13 H new ATOM 0 HB1 ALA A 68 -7.801 -15.222 -19.043 1.00 15.42 H new ATOM 0 HB2 ALA A 68 -8.803 -13.891 -19.670 1.00 15.42 H new ATOM 0 HB3 ALA A 68 -7.179 -14.174 -20.340 1.00 15.42 H new ATOM 1049 N VAL A 69 -5.527 -13.727 -16.690 1.00 52.50 N ATOM 1050 CA VAL A 69 -4.230 -14.150 -16.176 1.00 64.14 C ATOM 1051 C VAL A 69 -4.076 -15.665 -16.255 1.00 4.12 C ATOM 1052 O VAL A 69 -4.845 -16.410 -15.650 1.00 73.43 O ATOM 1053 CB VAL A 69 -4.030 -13.699 -14.718 1.00 33.44 C ATOM 1054 CG1 VAL A 69 -3.879 -12.188 -14.641 1.00 51.54 C ATOM 1055 CG2 VAL A 69 -5.187 -14.173 -13.851 1.00 53.22 C ATOM 0 H VAL A 69 -6.189 -13.432 -15.972 1.00 52.50 H new ATOM 0 HA VAL A 69 -3.472 -13.678 -16.801 1.00 64.14 H new ATOM 0 HB VAL A 69 -3.113 -14.150 -14.339 1.00 33.44 H new ATOM 0 HG11 VAL A 69 -3.739 -11.889 -13.602 1.00 51.54 H new ATOM 0 HG12 VAL A 69 -3.014 -11.878 -15.228 1.00 51.54 H new ATOM 0 HG13 VAL A 69 -4.776 -11.712 -15.038 1.00 51.54 H new ATOM 0 HG21 VAL A 69 -5.030 -13.846 -12.823 1.00 53.22 H new ATOM 0 HG22 VAL A 69 -6.120 -13.752 -14.227 1.00 53.22 H new ATOM 0 HG23 VAL A 69 -5.242 -15.261 -13.881 1.00 53.22 H new ATOM 1065 N GLY A 70 -3.073 -16.115 -17.005 1.00 15.53 N ATOM 1066 CA GLY A 70 -2.836 -17.539 -17.148 1.00 42.11 C ATOM 1067 C GLY A 70 -1.887 -18.078 -16.096 1.00 14.53 C ATOM 1068 O GLY A 70 -1.152 -17.316 -15.465 1.00 51.40 O ATOM 0 H GLY A 70 -2.422 -15.519 -17.515 1.00 15.53 H new ATOM 0 HA2 GLY A 70 -3.785 -18.070 -17.083 1.00 42.11 H new ATOM 0 HA3 GLY A 70 -2.427 -17.738 -18.138 1.00 42.11 H new ATOM 1072 N ILE A 71 -1.904 -19.392 -15.904 1.00 2.44 N ATOM 1073 CA ILE A 71 -1.039 -20.030 -14.919 1.00 42.02 C ATOM 1074 C ILE A 71 0.425 -19.678 -15.163 1.00 2.03 C ATOM 1075 O ILE A 71 1.225 -19.633 -14.229 1.00 51.40 O ATOM 1076 CB ILE A 71 -1.197 -21.562 -14.941 1.00 34.23 C ATOM 1077 CG1 ILE A 71 -1.030 -22.134 -13.531 1.00 52.24 C ATOM 1078 CG2 ILE A 71 -0.187 -22.186 -15.894 1.00 34.14 C ATOM 1079 CD1 ILE A 71 -0.291 -23.452 -13.497 1.00 64.41 C ATOM 0 H ILE A 71 -2.507 -20.036 -16.417 1.00 2.44 H new ATOM 0 HA ILE A 71 -1.342 -19.655 -13.942 1.00 42.02 H new ATOM 0 HB ILE A 71 -2.199 -21.804 -15.295 1.00 34.23 H new ATOM 0 HG12 ILE A 71 -0.495 -21.411 -12.915 1.00 52.24 H new ATOM 0 HG13 ILE A 71 -2.015 -22.267 -13.083 1.00 52.24 H new ATOM 0 HG21 ILE A 71 -0.312 -23.269 -15.898 1.00 34.14 H new ATOM 0 HG22 ILE A 71 -0.348 -21.798 -16.900 1.00 34.14 H new ATOM 0 HG23 ILE A 71 0.823 -21.938 -15.567 1.00 34.14 H new ATOM 0 HD11 ILE A 71 -0.210 -23.797 -12.466 1.00 64.41 H new ATOM 0 HD12 ILE A 71 -0.836 -24.190 -14.085 1.00 64.41 H new ATOM 0 HD13 ILE A 71 0.707 -23.320 -13.915 1.00 64.41 H new ATOM 1091 N GLN A 72 0.766 -19.429 -16.423 1.00 22.01 N ATOM 1092 CA GLN A 72 2.134 -19.079 -16.789 1.00 31.12 C ATOM 1093 C GLN A 72 2.458 -17.648 -16.376 1.00 50.40 C ATOM 1094 O GLN A 72 3.623 -17.292 -16.198 1.00 41.33 O ATOM 1095 CB GLN A 72 2.340 -19.248 -18.295 1.00 22.31 C ATOM 1096 CG GLN A 72 1.963 -20.628 -18.810 1.00 51.41 C ATOM 1097 CD GLN A 72 1.953 -20.704 -20.324 1.00 5.43 C ATOM 1098 OE1 GLN A 72 0.933 -21.022 -20.934 1.00 32.50 O ATOM 1099 NE2 GLN A 72 3.092 -20.408 -20.940 1.00 30.25 N ATOM 0 H GLN A 72 0.115 -19.463 -17.207 1.00 22.01 H new ATOM 0 HA GLN A 72 2.809 -19.752 -16.260 1.00 31.12 H new ATOM 0 HB2 GLN A 72 1.748 -18.499 -18.821 1.00 22.31 H new ATOM 0 HB3 GLN A 72 3.385 -19.053 -18.534 1.00 22.31 H new ATOM 0 HG2 GLN A 72 2.667 -21.362 -18.418 1.00 51.41 H new ATOM 0 HG3 GLN A 72 0.977 -20.896 -18.430 1.00 51.41 H new ATOM 0 HE21 GLN A 72 3.914 -20.149 -20.395 1.00 30.25 H new ATOM 0 HE22 GLN A 72 3.144 -20.439 -21.958 1.00 30.25 H new ATOM 1108 N ASP A 73 1.422 -16.830 -16.226 1.00 35.40 N ATOM 1109 CA ASP A 73 1.596 -15.437 -15.834 1.00 43.34 C ATOM 1110 C ASP A 73 1.789 -15.317 -14.325 1.00 41.21 C ATOM 1111 O ASP A 73 2.044 -14.231 -13.807 1.00 51.45 O ATOM 1112 CB ASP A 73 0.390 -14.606 -16.274 1.00 65.30 C ATOM 1113 CG ASP A 73 0.647 -13.850 -17.563 1.00 45.12 C ATOM 1114 OD1 ASP A 73 1.588 -13.030 -17.592 1.00 2.41 O ATOM 1115 OD2 ASP A 73 -0.092 -14.079 -18.544 1.00 13.23 O ATOM 0 H ASP A 73 0.451 -17.109 -16.370 1.00 35.40 H new ATOM 0 HA ASP A 73 2.490 -15.055 -16.328 1.00 43.34 H new ATOM 0 HB2 ASP A 73 -0.471 -15.262 -16.406 1.00 65.30 H new ATOM 0 HB3 ASP A 73 0.133 -13.898 -15.486 1.00 65.30 H new ATOM 1120 N GLU A 74 1.663 -16.441 -13.626 1.00 65.32 N ATOM 1121 CA GLU A 74 1.822 -16.460 -12.177 1.00 60.41 C ATOM 1122 C GLU A 74 3.243 -16.072 -11.780 1.00 4.32 C ATOM 1123 O GLU A 74 4.210 -16.457 -12.436 1.00 50.31 O ATOM 1124 CB GLU A 74 1.488 -17.847 -11.624 1.00 30.44 C ATOM 1125 CG GLU A 74 2.602 -18.862 -11.811 1.00 65.44 C ATOM 1126 CD GLU A 74 2.257 -20.221 -11.233 1.00 22.23 C ATOM 1127 OE1 GLU A 74 2.268 -20.356 -9.991 1.00 64.24 O ATOM 1128 OE2 GLU A 74 1.977 -21.148 -12.021 1.00 33.11 O ATOM 0 H GLU A 74 1.452 -17.349 -14.040 1.00 65.32 H new ATOM 0 HA GLU A 74 1.133 -15.731 -11.752 1.00 60.41 H new ATOM 0 HB2 GLU A 74 1.262 -17.760 -10.561 1.00 30.44 H new ATOM 0 HB3 GLU A 74 0.586 -18.216 -12.113 1.00 30.44 H new ATOM 0 HG2 GLU A 74 2.817 -18.968 -12.874 1.00 65.44 H new ATOM 0 HG3 GLU A 74 3.511 -18.490 -11.337 1.00 65.44 H new ATOM 1135 N GLY A 75 3.361 -15.304 -10.701 1.00 60.40 N ATOM 1136 CA GLY A 75 4.667 -14.874 -10.235 1.00 20.50 C ATOM 1137 C GLY A 75 4.607 -13.571 -9.464 1.00 1.31 C ATOM 1138 O GLY A 75 3.696 -13.357 -8.663 1.00 62.40 O ATOM 0 H GLY A 75 2.576 -14.972 -10.141 1.00 60.40 H new ATOM 0 HA2 GLY A 75 5.096 -15.649 -9.600 1.00 20.50 H new ATOM 0 HA3 GLY A 75 5.334 -14.757 -11.089 1.00 20.50 H new ATOM 1142 N ILE A 76 5.580 -12.699 -9.703 1.00 3.12 N ATOM 1143 CA ILE A 76 5.634 -11.410 -9.024 1.00 21.01 C ATOM 1144 C ILE A 76 5.659 -10.261 -10.027 1.00 22.34 C ATOM 1145 O ILE A 76 6.480 -10.242 -10.945 1.00 3.44 O ATOM 1146 CB ILE A 76 6.871 -11.307 -8.111 1.00 15.31 C ATOM 1147 CG1 ILE A 76 6.822 -12.384 -7.026 1.00 74.52 C ATOM 1148 CG2 ILE A 76 6.952 -9.921 -7.486 1.00 21.13 C ATOM 1149 CD1 ILE A 76 7.793 -13.520 -7.258 1.00 34.21 C ATOM 0 H ILE A 76 6.342 -12.861 -10.362 1.00 3.12 H new ATOM 0 HA ILE A 76 4.734 -11.336 -8.413 1.00 21.01 H new ATOM 0 HB ILE A 76 7.765 -11.466 -8.714 1.00 15.31 H new ATOM 0 HG12 ILE A 76 7.036 -11.926 -6.060 1.00 74.52 H new ATOM 0 HG13 ILE A 76 5.811 -12.787 -6.971 1.00 74.52 H new ATOM 0 HG21 ILE A 76 7.831 -9.862 -6.843 1.00 21.13 H new ATOM 0 HG22 ILE A 76 7.027 -9.171 -8.273 1.00 21.13 H new ATOM 0 HG23 ILE A 76 6.056 -9.736 -6.893 1.00 21.13 H new ATOM 0 HD11 ILE A 76 7.703 -14.246 -6.450 1.00 34.21 H new ATOM 0 HD12 ILE A 76 7.566 -14.004 -8.208 1.00 34.21 H new ATOM 0 HD13 ILE A 76 8.810 -13.130 -7.284 1.00 34.21 H new ATOM 1161 N PHE A 77 4.756 -9.304 -9.844 1.00 64.40 N ATOM 1162 CA PHE A 77 4.675 -8.150 -10.733 1.00 12.14 C ATOM 1163 C PHE A 77 5.260 -6.909 -10.066 1.00 63.02 C ATOM 1164 O PHE A 77 5.010 -6.646 -8.890 1.00 54.41 O ATOM 1165 CB PHE A 77 3.221 -7.890 -11.133 1.00 22.30 C ATOM 1166 CG PHE A 77 2.591 -9.032 -11.878 1.00 33.23 C ATOM 1167 CD1 PHE A 77 3.326 -9.770 -12.792 1.00 52.42 C ATOM 1168 CD2 PHE A 77 1.264 -9.368 -11.663 1.00 43.33 C ATOM 1169 CE1 PHE A 77 2.748 -10.820 -13.480 1.00 12.23 C ATOM 1170 CE2 PHE A 77 0.680 -10.418 -12.347 1.00 43.43 C ATOM 1171 CZ PHE A 77 1.424 -11.146 -13.256 1.00 62.14 C ATOM 0 H PHE A 77 4.070 -9.304 -9.089 1.00 64.40 H new ATOM 0 HA PHE A 77 5.258 -8.369 -11.628 1.00 12.14 H new ATOM 0 HB2 PHE A 77 2.637 -7.686 -10.236 1.00 22.30 H new ATOM 0 HB3 PHE A 77 3.178 -6.994 -11.753 1.00 22.30 H new ATOM 0 HD1 PHE A 77 4.362 -9.522 -12.969 1.00 52.42 H new ATOM 0 HD2 PHE A 77 0.679 -8.803 -10.953 1.00 43.33 H new ATOM 0 HE1 PHE A 77 3.331 -11.385 -14.192 1.00 12.23 H new ATOM 0 HE2 PHE A 77 -0.356 -10.669 -12.171 1.00 43.43 H new ATOM 0 HZ PHE A 77 0.971 -11.968 -13.790 1.00 62.14 H new ATOM 1181 N ARG A 78 6.043 -6.150 -10.827 1.00 35.00 N ATOM 1182 CA ARG A 78 6.666 -4.937 -10.311 1.00 40.12 C ATOM 1183 C ARG A 78 6.387 -3.750 -11.228 1.00 64.41 C ATOM 1184 O ARG A 78 6.275 -3.905 -12.445 1.00 42.21 O ATOM 1185 CB ARG A 78 8.175 -5.138 -10.162 1.00 13.11 C ATOM 1186 CG ARG A 78 8.552 -6.449 -9.493 1.00 64.11 C ATOM 1187 CD ARG A 78 8.884 -7.523 -10.517 1.00 52.33 C ATOM 1188 NE ARG A 78 10.310 -7.555 -10.834 1.00 53.23 N ATOM 1189 CZ ARG A 78 11.227 -8.097 -10.040 1.00 75.33 C ATOM 1190 NH1 ARG A 78 10.868 -8.651 -8.890 1.00 0.31 N ATOM 1191 NH2 ARG A 78 12.504 -8.088 -10.397 1.00 20.11 N ATOM 0 H ARG A 78 6.261 -6.354 -11.802 1.00 35.00 H new ATOM 0 HA ARG A 78 6.236 -4.725 -9.332 1.00 40.12 H new ATOM 0 HB2 ARG A 78 8.637 -5.097 -11.148 1.00 13.11 H new ATOM 0 HB3 ARG A 78 8.587 -4.312 -9.582 1.00 13.11 H new ATOM 0 HG2 ARG A 78 9.410 -6.291 -8.839 1.00 64.11 H new ATOM 0 HG3 ARG A 78 7.729 -6.787 -8.864 1.00 64.11 H new ATOM 0 HD2 ARG A 78 8.576 -8.496 -10.135 1.00 52.33 H new ATOM 0 HD3 ARG A 78 8.314 -7.343 -11.429 1.00 52.33 H new ATOM 0 HE ARG A 78 10.618 -7.139 -11.713 1.00 53.23 H new ATOM 0 HH11 ARG A 78 9.886 -8.662 -8.614 1.00 0.31 H new ATOM 0 HH12 ARG A 78 11.574 -9.067 -8.282 1.00 0.31 H new ATOM 0 HH21 ARG A 78 12.783 -7.665 -11.282 1.00 20.11 H new ATOM 0 HH22 ARG A 78 13.207 -8.504 -9.787 1.00 20.11 H new ATOM 1205 N CYS A 79 6.277 -2.565 -10.637 1.00 3.32 N ATOM 1206 CA CYS A 79 6.012 -1.351 -11.400 1.00 33.10 C ATOM 1207 C CYS A 79 7.043 -0.272 -11.082 1.00 75.23 C ATOM 1208 O CYS A 79 7.606 -0.242 -9.988 1.00 71.05 O ATOM 1209 CB CYS A 79 4.604 -0.833 -11.098 1.00 4.41 C ATOM 1210 SG CYS A 79 4.072 0.540 -12.171 1.00 42.22 S ATOM 0 H CYS A 79 6.367 -2.419 -9.631 1.00 3.32 H new ATOM 0 HA CYS A 79 6.083 -1.594 -12.460 1.00 33.10 H new ATOM 0 HB2 CYS A 79 3.896 -1.655 -11.200 1.00 4.41 H new ATOM 0 HB3 CYS A 79 4.564 -0.505 -10.059 1.00 4.41 H new ATOM 1215 N GLN A 80 7.283 0.611 -12.046 1.00 3.10 N ATOM 1216 CA GLN A 80 8.247 1.690 -11.868 1.00 52.32 C ATOM 1217 C GLN A 80 7.744 2.979 -12.510 1.00 42.15 C ATOM 1218 O GLN A 80 7.313 2.982 -13.663 1.00 61.12 O ATOM 1219 CB GLN A 80 9.598 1.301 -12.469 1.00 22.01 C ATOM 1220 CG GLN A 80 10.249 2.413 -13.276 1.00 25.13 C ATOM 1221 CD GLN A 80 11.691 2.107 -13.632 1.00 52.23 C ATOM 1222 OE1 GLN A 80 12.086 2.191 -14.796 1.00 13.31 O ATOM 1223 NE2 GLN A 80 12.486 1.751 -12.631 1.00 11.31 N ATOM 0 H GLN A 80 6.824 0.600 -12.957 1.00 3.10 H new ATOM 0 HA GLN A 80 8.370 1.861 -10.798 1.00 52.32 H new ATOM 0 HB2 GLN A 80 10.272 1.005 -11.665 1.00 22.01 H new ATOM 0 HB3 GLN A 80 9.464 0.430 -13.110 1.00 22.01 H new ATOM 0 HG2 GLN A 80 9.679 2.575 -14.191 1.00 25.13 H new ATOM 0 HG3 GLN A 80 10.208 3.342 -12.707 1.00 25.13 H new ATOM 0 HE21 GLN A 80 12.117 1.694 -11.682 1.00 11.31 H new ATOM 0 HE22 GLN A 80 13.466 1.534 -12.811 1.00 11.31 H new ATOM 1232 N ALA A 81 7.803 4.073 -11.757 1.00 61.22 N ATOM 1233 CA ALA A 81 7.356 5.368 -12.255 1.00 35.03 C ATOM 1234 C ALA A 81 8.349 6.467 -11.893 1.00 71.32 C ATOM 1235 O ALA A 81 9.195 6.289 -11.017 1.00 40.41 O ATOM 1236 CB ALA A 81 5.977 5.698 -11.702 1.00 74.40 C ATOM 0 H ALA A 81 8.156 4.088 -10.800 1.00 61.22 H new ATOM 0 HA ALA A 81 7.296 5.311 -13.342 1.00 35.03 H new ATOM 0 HB1 ALA A 81 5.655 6.668 -12.082 1.00 74.40 H new ATOM 0 HB2 ALA A 81 5.267 4.932 -12.014 1.00 74.40 H new ATOM 0 HB3 ALA A 81 6.020 5.731 -10.613 1.00 74.40 H new ATOM 1242 N MET A 82 8.240 7.604 -12.574 1.00 1.05 N ATOM 1243 CA MET A 82 9.129 8.732 -12.323 1.00 12.21 C ATOM 1244 C MET A 82 8.333 10.019 -12.129 1.00 32.43 C ATOM 1245 O MET A 82 7.532 10.398 -12.981 1.00 54.30 O ATOM 1246 CB MET A 82 10.115 8.899 -13.481 1.00 72.42 C ATOM 1247 CG MET A 82 10.941 10.172 -13.396 1.00 40.14 C ATOM 1248 SD MET A 82 12.624 9.949 -14.005 1.00 25.10 S ATOM 1249 CE MET A 82 13.513 9.721 -12.466 1.00 41.24 C ATOM 0 H MET A 82 7.546 7.768 -13.303 1.00 1.05 H new ATOM 0 HA MET A 82 9.685 8.528 -11.408 1.00 12.21 H new ATOM 0 HB2 MET A 82 10.786 8.041 -13.503 1.00 72.42 H new ATOM 0 HB3 MET A 82 9.563 8.896 -14.421 1.00 72.42 H new ATOM 0 HG2 MET A 82 10.451 10.957 -13.972 1.00 40.14 H new ATOM 0 HG3 MET A 82 10.975 10.510 -12.360 1.00 40.14 H new ATOM 0 HE1 MET A 82 14.167 10.576 -12.294 1.00 41.24 H new ATOM 0 HE2 MET A 82 12.802 9.637 -11.644 1.00 41.24 H new ATOM 0 HE3 MET A 82 14.111 8.812 -12.523 1.00 41.24 H new ATOM 1259 N ASN A 83 8.559 10.684 -11.001 1.00 30.14 N ATOM 1260 CA ASN A 83 7.862 11.928 -10.694 1.00 62.23 C ATOM 1261 C ASN A 83 8.617 13.128 -11.256 1.00 43.12 C ATOM 1262 O ASN A 83 9.737 12.993 -11.751 1.00 41.52 O ATOM 1263 CB ASN A 83 7.690 12.081 -9.181 1.00 24.10 C ATOM 1264 CG ASN A 83 7.128 10.831 -8.533 1.00 62.22 C ATOM 1265 OD1 ASN A 83 7.792 10.188 -7.720 1.00 33.03 O ATOM 1266 ND2 ASN A 83 5.899 10.480 -8.894 1.00 22.25 N ATOM 0 H ASN A 83 9.219 10.383 -10.284 1.00 30.14 H new ATOM 0 HA ASN A 83 6.878 11.889 -11.162 1.00 62.23 H new ATOM 0 HB2 ASN A 83 8.654 12.318 -8.731 1.00 24.10 H new ATOM 0 HB3 ASN A 83 7.027 12.922 -8.977 1.00 24.10 H new ATOM 0 HD21 ASN A 83 5.468 9.647 -8.493 1.00 22.25 H new ATOM 0 HD22 ASN A 83 5.386 11.044 -9.572 1.00 22.25 H new ATOM 1273 N ARG A 84 7.998 14.301 -11.175 1.00 3.12 N ATOM 1274 CA ARG A 84 8.612 15.525 -11.675 1.00 42.41 C ATOM 1275 C ARG A 84 9.768 15.961 -10.778 1.00 32.12 C ATOM 1276 O ARG A 84 10.623 16.744 -11.187 1.00 51.34 O ATOM 1277 CB ARG A 84 7.572 16.644 -11.763 1.00 34.51 C ATOM 1278 CG ARG A 84 6.370 16.291 -12.624 1.00 10.35 C ATOM 1279 CD ARG A 84 6.595 16.673 -14.078 1.00 2.11 C ATOM 1280 NE ARG A 84 6.555 18.119 -14.277 1.00 53.11 N ATOM 1281 CZ ARG A 84 6.758 18.706 -15.452 1.00 2.34 C ATOM 1282 NH1 ARG A 84 7.013 17.973 -16.526 1.00 43.13 N ATOM 1283 NH2 ARG A 84 6.705 20.028 -15.552 1.00 64.41 N ATOM 0 H ARG A 84 7.072 14.430 -10.768 1.00 3.12 H new ATOM 0 HA ARG A 84 9.004 15.323 -12.672 1.00 42.41 H new ATOM 0 HB2 ARG A 84 7.229 16.890 -10.758 1.00 34.51 H new ATOM 0 HB3 ARG A 84 8.047 17.539 -12.166 1.00 34.51 H new ATOM 0 HG2 ARG A 84 6.173 15.221 -12.554 1.00 10.35 H new ATOM 0 HG3 ARG A 84 5.486 16.804 -12.245 1.00 10.35 H new ATOM 0 HD2 ARG A 84 7.560 16.288 -14.409 1.00 2.11 H new ATOM 0 HD3 ARG A 84 5.834 16.201 -14.699 1.00 2.11 H new ATOM 0 HE ARG A 84 6.361 18.711 -13.470 1.00 53.11 H new ATOM 0 HH11 ARG A 84 7.054 16.957 -16.452 1.00 43.13 H new ATOM 0 HH12 ARG A 84 7.169 18.425 -17.427 1.00 43.13 H new ATOM 0 HH21 ARG A 84 6.508 20.594 -14.727 1.00 64.41 H new ATOM 0 HH22 ARG A 84 6.861 20.478 -16.454 1.00 64.41 H new ATOM 1297 N ASN A 85 9.785 15.447 -9.552 1.00 60.44 N ATOM 1298 CA ASN A 85 10.833 15.782 -8.598 1.00 4.15 C ATOM 1299 C ASN A 85 12.143 15.089 -8.962 1.00 41.41 C ATOM 1300 O ASN A 85 13.219 15.506 -8.533 1.00 74.41 O ATOM 1301 CB ASN A 85 10.410 15.385 -7.182 1.00 44.43 C ATOM 1302 CG ASN A 85 9.483 16.403 -6.549 1.00 54.53 C ATOM 1303 OD1 ASN A 85 8.391 16.065 -6.091 1.00 10.43 O ATOM 1304 ND2 ASN A 85 9.914 17.660 -6.521 1.00 31.40 N ATOM 0 H ASN A 85 9.084 14.797 -9.197 1.00 60.44 H new ATOM 0 HA ASN A 85 10.990 16.860 -8.634 1.00 4.15 H new ATOM 0 HB2 ASN A 85 9.913 14.415 -7.213 1.00 44.43 H new ATOM 0 HB3 ASN A 85 11.297 15.269 -6.560 1.00 44.43 H new ATOM 0 HD21 ASN A 85 9.333 18.389 -6.108 1.00 31.40 H new ATOM 0 HD22 ASN A 85 10.826 17.895 -6.912 1.00 31.40 H new ATOM 1311 N GLY A 86 12.044 14.028 -9.757 1.00 14.31 N ATOM 1312 CA GLY A 86 13.227 13.294 -10.165 1.00 42.43 C ATOM 1313 C GLY A 86 13.321 11.932 -9.508 1.00 71.34 C ATOM 1314 O GLY A 86 14.117 11.087 -9.921 1.00 14.42 O ATOM 0 H GLY A 86 11.165 13.664 -10.126 1.00 14.31 H new ATOM 0 HA2 GLY A 86 13.219 13.171 -11.248 1.00 42.43 H new ATOM 0 HA3 GLY A 86 14.115 13.875 -9.917 1.00 42.43 H new ATOM 1318 N LYS A 87 12.508 11.716 -8.480 1.00 30.04 N ATOM 1319 CA LYS A 87 12.501 10.447 -7.762 1.00 2.15 C ATOM 1320 C LYS A 87 11.600 9.433 -8.458 1.00 64.41 C ATOM 1321 O LYS A 87 10.588 9.796 -9.056 1.00 64.32 O ATOM 1322 CB LYS A 87 12.034 10.656 -6.320 1.00 74.43 C ATOM 1323 CG LYS A 87 12.869 11.662 -5.549 1.00 34.22 C ATOM 1324 CD LYS A 87 14.215 11.082 -5.151 1.00 24.34 C ATOM 1325 CE LYS A 87 15.270 12.167 -5.008 1.00 3.24 C ATOM 1326 NZ LYS A 87 16.645 11.598 -4.933 1.00 52.41 N ATOM 0 H LYS A 87 11.844 12.404 -8.125 1.00 30.04 H new ATOM 0 HA LYS A 87 13.519 10.057 -7.755 1.00 2.15 H new ATOM 0 HB2 LYS A 87 10.996 10.989 -6.328 1.00 74.43 H new ATOM 0 HB3 LYS A 87 12.058 9.700 -5.797 1.00 74.43 H new ATOM 0 HG2 LYS A 87 13.022 12.553 -6.159 1.00 34.22 H new ATOM 0 HG3 LYS A 87 12.329 11.976 -4.656 1.00 34.22 H new ATOM 0 HD2 LYS A 87 14.116 10.543 -4.209 1.00 24.34 H new ATOM 0 HD3 LYS A 87 14.536 10.358 -5.900 1.00 24.34 H new ATOM 0 HE2 LYS A 87 15.205 12.850 -5.855 1.00 3.24 H new ATOM 0 HE3 LYS A 87 15.070 12.752 -4.110 1.00 3.24 H new ATOM 0 HZ1 LYS A 87 17.335 12.370 -4.836 1.00 52.41 H new ATOM 0 HZ2 LYS A 87 16.715 10.966 -4.110 1.00 52.41 H new ATOM 0 HZ3 LYS A 87 16.846 11.061 -5.800 1.00 52.41 H new ATOM 1340 N GLU A 88 11.975 8.159 -8.375 1.00 50.32 N ATOM 1341 CA GLU A 88 11.199 7.093 -8.997 1.00 43.44 C ATOM 1342 C GLU A 88 10.410 6.312 -7.951 1.00 41.03 C ATOM 1343 O GLU A 88 10.881 6.099 -6.833 1.00 72.15 O ATOM 1344 CB GLU A 88 12.120 6.146 -9.769 1.00 45.11 C ATOM 1345 CG GLU A 88 12.307 6.532 -11.228 1.00 21.54 C ATOM 1346 CD GLU A 88 12.926 5.419 -12.051 1.00 22.53 C ATOM 1347 OE1 GLU A 88 13.937 4.840 -11.602 1.00 63.11 O ATOM 1348 OE2 GLU A 88 12.398 5.127 -13.144 1.00 24.10 O ATOM 0 H GLU A 88 12.810 7.841 -7.884 1.00 50.32 H new ATOM 0 HA GLU A 88 10.494 7.550 -9.692 1.00 43.44 H new ATOM 0 HB2 GLU A 88 13.094 6.122 -9.281 1.00 45.11 H new ATOM 0 HB3 GLU A 88 11.713 5.136 -9.719 1.00 45.11 H new ATOM 0 HG2 GLU A 88 11.341 6.801 -11.656 1.00 21.54 H new ATOM 0 HG3 GLU A 88 12.940 7.418 -11.287 1.00 21.54 H new ATOM 1355 N THR A 89 9.206 5.888 -8.322 1.00 21.21 N ATOM 1356 CA THR A 89 8.350 5.132 -7.415 1.00 50.35 C ATOM 1357 C THR A 89 8.346 3.650 -7.771 1.00 13.42 C ATOM 1358 O THR A 89 8.085 3.275 -8.914 1.00 34.03 O ATOM 1359 CB THR A 89 6.902 5.658 -7.442 1.00 2.43 C ATOM 1360 OG1 THR A 89 6.786 6.726 -8.389 1.00 54.45 O ATOM 1361 CG2 THR A 89 6.478 6.147 -6.065 1.00 4.34 C ATOM 0 H THR A 89 8.802 6.055 -9.243 1.00 21.21 H new ATOM 0 HA THR A 89 8.758 5.261 -6.413 1.00 50.35 H new ATOM 0 HB THR A 89 6.247 4.838 -7.737 1.00 2.43 H new ATOM 0 HG1 THR A 89 6.086 7.347 -8.097 1.00 54.45 H new ATOM 0 HG21 THR A 89 5.452 6.514 -6.109 1.00 4.34 H new ATOM 0 HG22 THR A 89 6.539 5.325 -5.352 1.00 4.34 H new ATOM 0 HG23 THR A 89 7.138 6.954 -5.746 1.00 4.34 H new ATOM 1369 N LYS A 90 8.637 2.810 -6.783 1.00 60.02 N ATOM 1370 CA LYS A 90 8.666 1.366 -6.990 1.00 50.33 C ATOM 1371 C LYS A 90 7.462 0.699 -6.334 1.00 35.21 C ATOM 1372 O LYS A 90 7.011 1.119 -5.269 1.00 54.41 O ATOM 1373 CB LYS A 90 9.960 0.776 -6.426 1.00 73.40 C ATOM 1374 CG LYS A 90 10.461 1.486 -5.181 1.00 31.33 C ATOM 1375 CD LYS A 90 11.402 2.626 -5.530 1.00 42.41 C ATOM 1376 CE LYS A 90 12.621 2.130 -6.293 1.00 71.23 C ATOM 1377 NZ LYS A 90 13.745 3.106 -6.239 1.00 71.23 N ATOM 0 H LYS A 90 8.856 3.104 -5.831 1.00 60.02 H new ATOM 0 HA LYS A 90 8.625 1.176 -8.063 1.00 50.33 H new ATOM 0 HB2 LYS A 90 9.798 -0.276 -6.193 1.00 73.40 H new ATOM 0 HB3 LYS A 90 10.733 0.818 -7.193 1.00 73.40 H new ATOM 0 HG2 LYS A 90 9.613 1.873 -4.616 1.00 31.33 H new ATOM 0 HG3 LYS A 90 10.975 0.773 -4.536 1.00 31.33 H new ATOM 0 HD2 LYS A 90 10.872 3.366 -6.130 1.00 42.41 H new ATOM 0 HD3 LYS A 90 11.722 3.127 -4.617 1.00 42.41 H new ATOM 0 HE2 LYS A 90 12.947 1.177 -5.876 1.00 71.23 H new ATOM 0 HE3 LYS A 90 12.349 1.947 -7.332 1.00 71.23 H new ATOM 0 HZ1 LYS A 90 14.556 2.731 -6.771 1.00 71.23 H new ATOM 0 HZ2 LYS A 90 13.442 4.008 -6.660 1.00 71.23 H new ATOM 0 HZ3 LYS A 90 14.022 3.262 -5.249 1.00 71.23 H new ATOM 1391 N SER A 91 6.946 -0.344 -6.976 1.00 4.03 N ATOM 1392 CA SER A 91 5.793 -1.069 -6.455 1.00 62.44 C ATOM 1393 C SER A 91 5.890 -2.555 -6.787 1.00 21.23 C ATOM 1394 O SER A 91 6.085 -2.933 -7.940 1.00 63.14 O ATOM 1395 CB SER A 91 4.499 -0.490 -7.031 1.00 34.34 C ATOM 1396 OG SER A 91 4.184 0.754 -6.428 1.00 21.02 O ATOM 0 H SER A 91 7.308 -0.706 -7.858 1.00 4.03 H new ATOM 0 HA SER A 91 5.783 -0.957 -5.371 1.00 62.44 H new ATOM 0 HB2 SER A 91 4.603 -0.360 -8.108 1.00 34.34 H new ATOM 0 HB3 SER A 91 3.680 -1.192 -6.873 1.00 34.34 H new ATOM 0 HG SER A 91 4.941 1.055 -5.884 1.00 21.02 H new ATOM 1402 N ASN A 92 5.752 -3.393 -5.764 1.00 22.40 N ATOM 1403 CA ASN A 92 5.825 -4.838 -5.946 1.00 34.42 C ATOM 1404 C ASN A 92 4.522 -5.506 -5.514 1.00 64.52 C ATOM 1405 O ASN A 92 4.087 -5.364 -4.371 1.00 43.04 O ATOM 1406 CB ASN A 92 6.995 -5.415 -5.147 1.00 5.20 C ATOM 1407 CG ASN A 92 6.696 -6.797 -4.598 1.00 13.21 C ATOM 1408 OD1 ASN A 92 6.738 -7.018 -3.388 1.00 21.43 O ATOM 1409 ND2 ASN A 92 6.391 -7.734 -5.488 1.00 50.24 N ATOM 0 H ASN A 92 5.589 -3.096 -4.802 1.00 22.40 H new ATOM 0 HA ASN A 92 5.983 -5.039 -7.006 1.00 34.42 H new ATOM 0 HB2 ASN A 92 7.878 -5.464 -5.785 1.00 5.20 H new ATOM 0 HB3 ASN A 92 7.234 -4.744 -4.322 1.00 5.20 H new ATOM 0 HD21 ASN A 92 6.179 -8.682 -5.178 1.00 50.24 H new ATOM 0 HD22 ASN A 92 6.368 -7.505 -6.482 1.00 50.24 H new ATOM 1416 N TYR A 93 3.905 -6.236 -6.438 1.00 21.55 N ATOM 1417 CA TYR A 93 2.652 -6.925 -6.154 1.00 63.33 C ATOM 1418 C TYR A 93 2.737 -8.396 -6.552 1.00 61.22 C ATOM 1419 O TYR A 93 2.947 -8.723 -7.720 1.00 54.35 O ATOM 1420 CB TYR A 93 1.497 -6.251 -6.895 1.00 13.21 C ATOM 1421 CG TYR A 93 1.065 -4.939 -6.279 1.00 24.11 C ATOM 1422 CD1 TYR A 93 1.932 -3.854 -6.230 1.00 41.20 C ATOM 1423 CD2 TYR A 93 -0.209 -4.784 -5.747 1.00 24.14 C ATOM 1424 CE1 TYR A 93 1.544 -2.654 -5.667 1.00 32.13 C ATOM 1425 CE2 TYR A 93 -0.607 -3.587 -5.183 1.00 64.31 C ATOM 1426 CZ TYR A 93 0.273 -2.525 -5.145 1.00 24.33 C ATOM 1427 OH TYR A 93 -0.118 -1.332 -4.585 1.00 53.33 O ATOM 0 H TYR A 93 4.252 -6.365 -7.388 1.00 21.55 H new ATOM 0 HA TYR A 93 2.470 -6.868 -5.081 1.00 63.33 H new ATOM 0 HB2 TYR A 93 1.793 -6.077 -7.930 1.00 13.21 H new ATOM 0 HB3 TYR A 93 0.645 -6.930 -6.917 1.00 13.21 H new ATOM 0 HD1 TYR A 93 2.927 -3.951 -6.639 1.00 41.20 H new ATOM 0 HD2 TYR A 93 -0.900 -5.613 -5.775 1.00 24.14 H new ATOM 0 HE1 TYR A 93 2.231 -1.821 -5.635 1.00 32.13 H new ATOM 0 HE2 TYR A 93 -1.601 -3.483 -4.774 1.00 64.31 H new ATOM 0 HH TYR A 93 -1.041 -1.408 -4.266 1.00 53.33 H new ATOM 1437 N ARG A 94 2.572 -9.278 -5.573 1.00 13.52 N ATOM 1438 CA ARG A 94 2.630 -10.714 -5.819 1.00 20.02 C ATOM 1439 C ARG A 94 1.274 -11.242 -6.279 1.00 62.21 C ATOM 1440 O ARG A 94 0.245 -10.952 -5.669 1.00 70.24 O ATOM 1441 CB ARG A 94 3.075 -11.452 -4.555 1.00 62.10 C ATOM 1442 CG ARG A 94 2.247 -11.111 -3.327 1.00 54.21 C ATOM 1443 CD ARG A 94 2.999 -10.178 -2.390 1.00 42.00 C ATOM 1444 NE ARG A 94 4.264 -10.755 -1.942 1.00 34.34 N ATOM 1445 CZ ARG A 94 4.360 -11.635 -0.952 1.00 32.35 C ATOM 1446 NH1 ARG A 94 3.272 -12.037 -0.309 1.00 54.22 N ATOM 1447 NH2 ARG A 94 5.546 -12.115 -0.601 1.00 1.32 N ATOM 0 H ARG A 94 2.397 -9.024 -4.601 1.00 13.52 H new ATOM 0 HA ARG A 94 3.358 -10.893 -6.611 1.00 20.02 H new ATOM 0 HB2 ARG A 94 3.020 -12.526 -4.733 1.00 62.10 H new ATOM 0 HB3 ARG A 94 4.120 -11.215 -4.355 1.00 62.10 H new ATOM 0 HG2 ARG A 94 1.312 -10.643 -3.636 1.00 54.21 H new ATOM 0 HG3 ARG A 94 1.985 -12.027 -2.797 1.00 54.21 H new ATOM 0 HD2 ARG A 94 3.191 -9.233 -2.897 1.00 42.00 H new ATOM 0 HD3 ARG A 94 2.376 -9.954 -1.524 1.00 42.00 H new ATOM 0 HE ARG A 94 5.120 -10.466 -2.415 1.00 34.34 H new ATOM 0 HH11 ARG A 94 2.358 -11.670 -0.574 1.00 54.22 H new ATOM 0 HH12 ARG A 94 3.349 -12.713 0.451 1.00 54.22 H new ATOM 0 HH21 ARG A 94 6.386 -11.808 -1.092 1.00 1.32 H new ATOM 0 HH22 ARG A 94 5.618 -12.791 0.160 1.00 1.32 H new ATOM 1461 N VAL A 95 1.282 -12.018 -7.358 1.00 10.30 N ATOM 1462 CA VAL A 95 0.055 -12.586 -7.900 1.00 34.24 C ATOM 1463 C VAL A 95 0.117 -14.110 -7.922 1.00 11.24 C ATOM 1464 O VAL A 95 1.149 -14.694 -8.253 1.00 55.15 O ATOM 1465 CB VAL A 95 -0.220 -12.075 -9.327 1.00 30.14 C ATOM 1466 CG1 VAL A 95 -1.385 -12.827 -9.949 1.00 73.55 C ATOM 1467 CG2 VAL A 95 -0.488 -10.578 -9.313 1.00 1.12 C ATOM 0 H VAL A 95 2.126 -12.267 -7.874 1.00 10.30 H new ATOM 0 HA VAL A 95 -0.756 -12.267 -7.245 1.00 34.24 H new ATOM 0 HB VAL A 95 0.665 -12.258 -9.936 1.00 30.14 H new ATOM 0 HG11 VAL A 95 -1.564 -12.452 -10.957 1.00 73.55 H new ATOM 0 HG12 VAL A 95 -1.149 -13.890 -9.994 1.00 73.55 H new ATOM 0 HG13 VAL A 95 -2.279 -12.679 -9.343 1.00 73.55 H new ATOM 0 HG21 VAL A 95 -0.680 -10.233 -10.329 1.00 1.12 H new ATOM 0 HG22 VAL A 95 -1.357 -10.370 -8.689 1.00 1.12 H new ATOM 0 HG23 VAL A 95 0.381 -10.057 -8.911 1.00 1.12 H new ATOM 1477 N ARG A 96 -0.994 -14.747 -7.565 1.00 41.32 N ATOM 1478 CA ARG A 96 -1.065 -16.203 -7.543 1.00 21.34 C ATOM 1479 C ARG A 96 -2.284 -16.699 -8.313 1.00 73.45 C ATOM 1480 O ARG A 96 -3.406 -16.250 -8.078 1.00 30.40 O ATOM 1481 CB ARG A 96 -1.119 -16.710 -6.100 1.00 70.23 C ATOM 1482 CG ARG A 96 0.125 -17.474 -5.676 1.00 34.25 C ATOM 1483 CD ARG A 96 1.346 -16.569 -5.631 1.00 55.14 C ATOM 1484 NE ARG A 96 1.101 -15.356 -4.856 1.00 32.32 N ATOM 1485 CZ ARG A 96 1.003 -15.339 -3.531 1.00 4.44 C ATOM 1486 NH1 ARG A 96 1.130 -16.462 -2.839 1.00 34.15 N ATOM 1487 NH2 ARG A 96 0.779 -14.195 -2.896 1.00 41.12 N ATOM 0 H ARG A 96 -1.856 -14.278 -7.287 1.00 41.32 H new ATOM 0 HA ARG A 96 -0.169 -16.593 -8.025 1.00 21.34 H new ATOM 0 HB2 ARG A 96 -1.260 -15.861 -5.431 1.00 70.23 H new ATOM 0 HB3 ARG A 96 -1.989 -17.356 -5.983 1.00 70.23 H new ATOM 0 HG2 ARG A 96 -0.037 -17.918 -4.694 1.00 34.25 H new ATOM 0 HG3 ARG A 96 0.304 -18.294 -6.371 1.00 34.25 H new ATOM 0 HD2 ARG A 96 2.185 -17.113 -5.197 1.00 55.14 H new ATOM 0 HD3 ARG A 96 1.634 -16.298 -6.647 1.00 55.14 H new ATOM 0 HE ARG A 96 1.000 -14.474 -5.359 1.00 32.32 H new ATOM 0 HH11 ARG A 96 1.304 -17.343 -3.323 1.00 34.15 H new ATOM 0 HH12 ARG A 96 1.054 -16.446 -1.822 1.00 34.15 H new ATOM 0 HH21 ARG A 96 0.682 -13.328 -3.425 1.00 41.12 H new ATOM 0 HH22 ARG A 96 0.704 -14.183 -1.879 1.00 41.12 H new ATOM 1501 N VAL A 97 -2.057 -17.629 -9.235 1.00 43.14 N ATOM 1502 CA VAL A 97 -3.136 -18.188 -10.042 1.00 13.05 C ATOM 1503 C VAL A 97 -3.704 -19.449 -9.401 1.00 25.01 C ATOM 1504 O VAL A 97 -3.301 -19.837 -8.304 1.00 64.13 O ATOM 1505 CB VAL A 97 -2.659 -18.519 -11.467 1.00 63.40 C ATOM 1506 CG1 VAL A 97 -1.947 -17.324 -12.084 1.00 3.44 C ATOM 1507 CG2 VAL A 97 -1.753 -19.741 -11.455 1.00 4.54 C ATOM 0 H VAL A 97 -1.135 -18.012 -9.442 1.00 43.14 H new ATOM 0 HA VAL A 97 -3.916 -17.429 -10.097 1.00 13.05 H new ATOM 0 HB VAL A 97 -3.532 -18.747 -12.079 1.00 63.40 H new ATOM 0 HG11 VAL A 97 -1.617 -17.577 -13.091 1.00 3.44 H new ATOM 0 HG12 VAL A 97 -2.631 -16.476 -12.129 1.00 3.44 H new ATOM 0 HG13 VAL A 97 -1.082 -17.061 -11.474 1.00 3.44 H new ATOM 0 HG21 VAL A 97 -1.425 -19.961 -12.471 1.00 4.54 H new ATOM 0 HG22 VAL A 97 -0.884 -19.543 -10.828 1.00 4.54 H new ATOM 0 HG23 VAL A 97 -2.300 -20.596 -11.058 1.00 4.54 H new ATOM 1517 N TYR A 98 -4.641 -20.087 -10.094 1.00 31.35 N ATOM 1518 CA TYR A 98 -5.265 -21.306 -9.592 1.00 15.52 C ATOM 1519 C TYR A 98 -4.246 -22.435 -9.483 1.00 35.23 C ATOM 1520 O TYR A 98 -3.760 -22.743 -8.394 1.00 5.31 O ATOM 1521 CB TYR A 98 -6.415 -21.728 -10.507 1.00 72.15 C ATOM 1522 CG TYR A 98 -7.045 -23.047 -10.120 1.00 60.13 C ATOM 1523 CD1 TYR A 98 -7.338 -23.337 -8.794 1.00 25.14 C ATOM 1524 CD2 TYR A 98 -7.348 -24.003 -11.082 1.00 24.31 C ATOM 1525 CE1 TYR A 98 -7.911 -24.541 -8.435 1.00 32.13 C ATOM 1526 CE2 TYR A 98 -7.923 -25.210 -10.732 1.00 62.02 C ATOM 1527 CZ TYR A 98 -8.203 -25.474 -9.408 1.00 0.35 C ATOM 1528 OH TYR A 98 -8.776 -26.675 -9.055 1.00 55.20 O ATOM 0 H TYR A 98 -4.985 -19.781 -11.004 1.00 31.35 H new ATOM 0 HA TYR A 98 -5.658 -21.100 -8.597 1.00 15.52 H new ATOM 0 HB2 TYR A 98 -7.181 -20.952 -10.495 1.00 72.15 H new ATOM 0 HB3 TYR A 98 -6.047 -21.797 -11.531 1.00 72.15 H new ATOM 0 HD1 TYR A 98 -7.114 -22.608 -8.030 1.00 25.14 H new ATOM 0 HD2 TYR A 98 -7.131 -23.799 -12.120 1.00 24.31 H new ATOM 0 HE1 TYR A 98 -8.129 -24.751 -7.398 1.00 32.13 H new ATOM 0 HE2 TYR A 98 -8.152 -25.943 -11.492 1.00 62.02 H new ATOM 0 HH TYR A 98 -8.918 -27.218 -9.858 1.00 55.20 H new ATOM 1538 N GLN A 99 -3.928 -23.049 -10.617 1.00 74.34 N ATOM 1539 CA GLN A 99 -2.967 -24.145 -10.650 1.00 33.11 C ATOM 1540 C GLN A 99 -1.562 -23.646 -10.333 1.00 23.13 C ATOM 1541 O GLN A 99 -1.196 -22.525 -10.688 1.00 43.00 O ATOM 1542 CB GLN A 99 -2.983 -24.825 -12.020 1.00 72.53 C ATOM 1543 CG GLN A 99 -2.048 -26.019 -12.117 1.00 30.41 C ATOM 1544 CD GLN A 99 -2.363 -27.092 -11.093 1.00 72.51 C ATOM 1545 OE1 GLN A 99 -3.644 -27.409 -10.942 1.00 71.44 O flip ATOM 1546 NE2 GLN A 99 -1.465 -27.630 -10.444 1.00 72.11 N flip ATOM 0 H GLN A 99 -4.322 -22.806 -11.526 1.00 74.34 H new ATOM 0 HA GLN A 99 -3.255 -24.871 -9.889 1.00 33.11 H new ATOM 0 HB2 GLN A 99 -3.999 -25.151 -12.243 1.00 72.53 H new ATOM 0 HB3 GLN A 99 -2.708 -24.096 -12.782 1.00 72.53 H new ATOM 0 HG2 GLN A 99 -2.114 -26.447 -13.117 1.00 30.41 H new ATOM 0 HG3 GLN A 99 -1.020 -25.683 -11.981 1.00 30.41 H new ATOM 0 HE21 GLN A 99 -0.494 -27.356 -10.592 1.00 72.11 H new ATOM 0 HE22 GLN A 99 -1.692 -28.350 -9.758 1.00 72.11 H new ATOM 1555 N ILE A 100 -0.778 -24.484 -9.663 1.00 34.33 N ATOM 1556 CA ILE A 100 0.587 -24.127 -9.298 1.00 41.21 C ATOM 1557 C ILE A 100 1.588 -25.117 -9.884 1.00 31.15 C ATOM 1558 O ILE A 100 1.248 -26.248 -10.235 1.00 45.33 O ATOM 1559 CB ILE A 100 0.767 -24.075 -7.770 1.00 12.42 C ATOM 1560 CG1 ILE A 100 -0.371 -24.825 -7.074 1.00 61.44 C ATOM 1561 CG2 ILE A 100 0.826 -22.632 -7.293 1.00 13.21 C ATOM 1562 CD1 ILE A 100 -0.221 -24.891 -5.571 1.00 4.10 C ATOM 0 H ILE A 100 -1.065 -25.415 -9.362 1.00 34.33 H new ATOM 0 HA ILE A 100 0.775 -23.136 -9.710 1.00 41.21 H new ATOM 0 HB ILE A 100 1.708 -24.562 -7.513 1.00 12.42 H new ATOM 0 HG12 ILE A 100 -1.316 -24.339 -7.316 1.00 61.44 H new ATOM 0 HG13 ILE A 100 -0.423 -25.839 -7.471 1.00 61.44 H new ATOM 0 HG21 ILE A 100 0.953 -22.611 -6.211 1.00 13.21 H new ATOM 0 HG22 ILE A 100 1.667 -22.126 -7.767 1.00 13.21 H new ATOM 0 HG23 ILE A 100 -0.100 -22.123 -7.559 1.00 13.21 H new ATOM 0 HD11 ILE A 100 -1.063 -25.437 -5.145 1.00 4.10 H new ATOM 0 HD12 ILE A 100 0.708 -25.403 -5.320 1.00 4.10 H new ATOM 0 HD13 ILE A 100 -0.200 -23.881 -5.163 1.00 4.10 H new ATOM 1574 N PRO A 101 2.854 -24.687 -9.989 1.00 42.33 N ATOM 1575 CA PRO A 101 3.932 -25.520 -10.529 1.00 52.04 C ATOM 1576 C PRO A 101 4.298 -26.670 -9.596 1.00 2.43 C ATOM 1577 O PRO A 101 4.588 -27.778 -10.045 1.00 15.12 O ATOM 1578 CB PRO A 101 5.104 -24.544 -10.660 1.00 62.34 C ATOM 1579 CG PRO A 101 4.827 -23.483 -9.653 1.00 13.21 C ATOM 1580 CD PRO A 101 3.330 -23.351 -9.589 1.00 64.34 C ATOM 0 HA PRO A 101 3.649 -25.995 -11.468 1.00 52.04 H new ATOM 0 HB2 PRO A 101 6.055 -25.039 -10.463 1.00 62.34 H new ATOM 0 HB3 PRO A 101 5.163 -24.129 -11.666 1.00 62.34 H new ATOM 0 HG2 PRO A 101 5.237 -23.753 -8.680 1.00 13.21 H new ATOM 0 HG3 PRO A 101 5.290 -22.540 -9.943 1.00 13.21 H new ATOM 0 HD2 PRO A 101 2.992 -23.087 -8.587 1.00 64.34 H new ATOM 0 HD3 PRO A 101 2.965 -22.576 -10.263 1.00 64.34 H new