USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 146 LYS NZ :NH3+ 158:sc= -0.92! (180deg=-2.53!) USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.727 USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 131 ASN :FLIP amide:sc= -1.04 F(o=-1.4!,f=-0.029) USER MOD Set 3.1: A 122 CYS SG : rot -42:sc= 0.947 USER MOD Set 3.2: A 186 APR O3' : rot -126:sc= 1.3 USER MOD Set 4.1: A 103 MET CE :methyl -140:sc= -0.0349 (180deg=-2.43) USER MOD Set 4.2: A 117 MET CE :methyl 170:sc= -1.64 (180deg=-1.97) USER MOD Set 5.1: A 35 SER OG : rot -36:sc= 0.376 USER MOD Set 5.2: A 83 THR OG1 : rot -69:sc= 1.06 USER MOD Set 5.3: A 186 APR O2D : rot 136:sc= 0.188 USER MOD Set 6.1: A 79 TYR OH : rot -80:sc= 2.02 USER MOD Set 6.2: A 106 HIS : no HE2:sc= 0.0489 K(o=-0.63,f=-4.8!) USER MOD Set 6.3: A 107 CYS SG : rot 73:sc= 2.37 USER MOD Set 6.4: A 110 ASN :FLIP amide:sc= -5.07! C(o=-1.4!,f=-0.63!) USER MOD Set 7.1: A 16 TYR OH : rot 180:sc= 0.672 USER MOD Set 7.2: A 133 SER OG : rot 159:sc= 0.743 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 40:sc= 0.184 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 15 THR OG1 : rot 65:sc= -0.819 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 157:sc= 0.693 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 29 SER OG : rot -150:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.816 K(o=-0.81,f=-1.6) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 38 CYS SG : rot 54:sc= 0.929 USER MOD Single : A 40 MET CE :methyl 167:sc=-0.00534 (180deg=-0.31) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.135) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0357 (180deg=-0.293) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.1!) USER MOD Single : A 61 GLN : amide:sc= -0.968 K(o=-0.97,f=-4.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.742) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 28:sc= 0.0589 USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 0.597 (180deg=0.0769) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0571) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= 1.03 (180deg=0.629) USER MOD Single : A 88 SER OG : rot -38:sc= 0.353 USER MOD Single : A 89 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.033) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00312 USER MOD Single : A 95 ASN : amide:sc= -0.783 X(o=-0.78,f=-1) USER MOD Single : A 97 GLN : amide:sc=-0.00657 K(o=-0.0066,f=-0.9) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 1.32 (180deg=0.816) USER MOD Single : A 99 SER OG : rot -91:sc= 1.17 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 0.422 (180deg=0.385) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= -0.0339 (180deg=-0.217) USER MOD Single : A 113 THR OG1 : rot 67:sc= 0.687 USER MOD Single : A 116 SER OG : rot 56:sc= 1.14 USER MOD Single : A 128 GLN :FLIP amide:sc= -0.402 F(o=-5.9!,f=-0.4) USER MOD Single : A 135 MET CE :methyl 180:sc= -1.14 (180deg=-1.14) USER MOD Single : A 143 THR OG1 : rot -26:sc= 0.597 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 APR O1D : rot 180:sc= -0.715 USER MOD Single : A 186 APR O2' : rot -112:sc= 0.444 USER MOD Single : A 186 APR O3D : rot -25:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -24.404 17.979 -23.566 1.00 24.32 N ATOM 2 CA SER A 3 -23.530 18.345 -22.491 1.00 44.40 C ATOM 3 C SER A 3 -23.159 17.094 -21.693 1.00 53.04 C ATOM 4 O SER A 3 -24.035 16.424 -21.118 1.00 55.13 O ATOM 5 CB SER A 3 -24.227 19.384 -21.595 1.00 24.51 C ATOM 6 OG SER A 3 -23.370 19.863 -20.572 1.00 53.33 O ATOM 0 HA SER A 3 -22.616 18.789 -22.885 1.00 44.40 H new ATOM 0 HB2 SER A 3 -24.565 20.221 -22.206 1.00 24.51 H new ATOM 0 HB3 SER A 3 -25.114 18.938 -21.146 1.00 24.51 H new ATOM 0 HG SER A 3 -23.848 20.521 -20.026 1.00 53.33 H new ATOM 12 N SER A 4 -21.890 16.762 -21.685 1.00 70.31 N ATOM 13 CA SER A 4 -21.415 15.609 -20.969 1.00 72.02 C ATOM 14 C SER A 4 -21.162 15.949 -19.499 1.00 0.11 C ATOM 15 O SER A 4 -20.205 16.659 -19.166 1.00 65.44 O ATOM 16 CB SER A 4 -20.165 15.054 -21.657 1.00 12.44 C ATOM 17 OG SER A 4 -19.203 16.085 -21.865 1.00 11.14 O ATOM 0 H SER A 4 -21.162 17.283 -22.174 1.00 70.31 H new ATOM 0 HA SER A 4 -22.180 14.832 -20.985 1.00 72.02 H new ATOM 0 HB2 SER A 4 -19.730 14.262 -21.047 1.00 12.44 H new ATOM 0 HB3 SER A 4 -20.438 14.607 -22.613 1.00 12.44 H new ATOM 0 HG SER A 4 -19.176 16.670 -21.079 1.00 11.14 H new ATOM 23 N LEU A 5 -22.041 15.465 -18.640 1.00 0.41 N ATOM 24 CA LEU A 5 -21.966 15.726 -17.211 1.00 71.42 C ATOM 25 C LEU A 5 -20.808 14.947 -16.586 1.00 73.11 C ATOM 26 O LEU A 5 -20.589 13.768 -16.910 1.00 71.23 O ATOM 27 CB LEU A 5 -23.290 15.335 -16.543 1.00 54.12 C ATOM 28 CG LEU A 5 -24.558 16.012 -17.085 1.00 42.42 C ATOM 29 CD1 LEU A 5 -25.786 15.524 -16.336 1.00 21.55 C ATOM 30 CD2 LEU A 5 -24.447 17.529 -16.998 1.00 22.22 C ATOM 0 H LEU A 5 -22.829 14.878 -18.913 1.00 0.41 H new ATOM 0 HA LEU A 5 -21.788 16.790 -17.055 1.00 71.42 H new ATOM 0 HB2 LEU A 5 -23.413 14.256 -16.636 1.00 54.12 H new ATOM 0 HB3 LEU A 5 -23.213 15.557 -15.479 1.00 54.12 H new ATOM 0 HG LEU A 5 -24.662 15.740 -18.135 1.00 42.42 H new ATOM 0 HD11 LEU A 5 -26.674 16.015 -16.734 1.00 21.55 H new ATOM 0 HD12 LEU A 5 -25.882 14.445 -16.458 1.00 21.55 H new ATOM 0 HD13 LEU A 5 -25.684 15.761 -15.277 1.00 21.55 H new ATOM 0 HD21 LEU A 5 -25.358 17.983 -17.388 1.00 22.22 H new ATOM 0 HD22 LEU A 5 -24.311 17.825 -15.958 1.00 22.22 H new ATOM 0 HD23 LEU A 5 -23.593 17.866 -17.586 1.00 22.22 H new ATOM 38 N ASN A 6 -20.070 15.590 -15.710 1.00 32.43 N ATOM 39 CA ASN A 6 -18.915 14.964 -15.084 1.00 2.15 C ATOM 40 C ASN A 6 -19.036 14.965 -13.563 1.00 2.53 C ATOM 41 O ASN A 6 -18.836 15.998 -12.902 1.00 62.00 O ATOM 42 CB ASN A 6 -17.610 15.653 -15.526 1.00 23.02 C ATOM 43 CG ASN A 6 -16.367 15.071 -14.865 1.00 30.53 C ATOM 44 OD1 ASN A 6 -16.309 13.885 -14.539 1.00 13.01 O ATOM 45 ND2 ASN A 6 -15.371 15.897 -14.666 1.00 74.22 N ATOM 0 H ASN A 6 -20.245 16.549 -15.410 1.00 32.43 H new ATOM 0 HA ASN A 6 -18.884 13.926 -15.415 1.00 2.15 H new ATOM 0 HB2 ASN A 6 -17.511 15.568 -16.608 1.00 23.02 H new ATOM 0 HB3 ASN A 6 -17.672 16.716 -15.294 1.00 23.02 H new ATOM 0 HD21 ASN A 6 -14.512 15.564 -14.228 1.00 74.22 H new ATOM 0 HD22 ASN A 6 -15.454 16.873 -14.949 1.00 74.22 H new ATOM 51 N GLU A 7 -19.387 13.828 -13.022 1.00 52.11 N ATOM 52 CA GLU A 7 -19.511 13.665 -11.600 1.00 13.35 C ATOM 53 C GLU A 7 -18.361 12.813 -11.078 1.00 11.42 C ATOM 54 O GLU A 7 -17.869 11.916 -11.779 1.00 32.12 O ATOM 55 CB GLU A 7 -20.887 13.085 -11.242 1.00 23.11 C ATOM 56 CG GLU A 7 -21.123 12.860 -9.762 1.00 70.22 C ATOM 57 CD GLU A 7 -22.549 12.492 -9.464 1.00 63.43 C ATOM 58 OE1 GLU A 7 -22.968 11.357 -9.767 1.00 62.51 O ATOM 59 OE2 GLU A 7 -23.279 13.336 -8.929 1.00 3.04 O ATOM 0 H GLU A 7 -19.596 12.986 -13.559 1.00 52.11 H new ATOM 0 HA GLU A 7 -19.446 14.637 -11.111 1.00 13.35 H new ATOM 0 HB2 GLU A 7 -21.657 13.758 -11.619 1.00 23.11 H new ATOM 0 HB3 GLU A 7 -21.011 12.135 -11.763 1.00 23.11 H new ATOM 0 HG2 GLU A 7 -20.463 12.068 -9.407 1.00 70.22 H new ATOM 0 HG3 GLU A 7 -20.860 13.764 -9.212 1.00 70.22 H new ATOM 66 N ASP A 8 -17.918 13.110 -9.881 1.00 42.31 N ATOM 67 CA ASP A 8 -16.773 12.439 -9.276 1.00 65.21 C ATOM 68 C ASP A 8 -17.190 11.108 -8.658 1.00 60.13 C ATOM 69 O ASP A 8 -18.242 11.024 -8.015 1.00 1.15 O ATOM 70 CB ASP A 8 -16.106 13.348 -8.227 1.00 51.03 C ATOM 71 CG ASP A 8 -15.586 14.645 -8.822 1.00 73.33 C ATOM 72 OD1 ASP A 8 -16.373 15.625 -8.929 1.00 54.34 O ATOM 73 OD2 ASP A 8 -14.400 14.714 -9.206 1.00 73.02 O ATOM 0 H ASP A 8 -18.338 13.827 -9.289 1.00 42.31 H new ATOM 0 HA ASP A 8 -16.044 12.232 -10.059 1.00 65.21 H new ATOM 0 HB2 ASP A 8 -16.825 13.576 -7.440 1.00 51.03 H new ATOM 0 HB3 ASP A 8 -15.281 12.811 -7.759 1.00 51.03 H new ATOM 78 N PRO A 9 -16.375 10.046 -8.853 1.00 74.41 N ATOM 79 CA PRO A 9 -16.676 8.683 -8.362 1.00 63.22 C ATOM 80 C PRO A 9 -16.917 8.608 -6.851 1.00 40.51 C ATOM 81 O PRO A 9 -16.324 9.362 -6.068 1.00 30.35 O ATOM 82 CB PRO A 9 -15.427 7.869 -8.740 1.00 23.42 C ATOM 83 CG PRO A 9 -14.373 8.882 -9.027 1.00 73.01 C ATOM 84 CD PRO A 9 -15.086 10.081 -9.566 1.00 5.21 C ATOM 0 HA PRO A 9 -17.602 8.313 -8.803 1.00 63.22 H new ATOM 0 HB2 PRO A 9 -15.127 7.208 -7.927 1.00 23.42 H new ATOM 0 HB3 PRO A 9 -15.615 7.240 -9.610 1.00 23.42 H new ATOM 0 HG2 PRO A 9 -13.817 9.133 -8.124 1.00 73.01 H new ATOM 0 HG3 PRO A 9 -13.652 8.500 -9.749 1.00 73.01 H new ATOM 0 HD2 PRO A 9 -14.538 11.001 -9.365 1.00 5.21 H new ATOM 0 HD3 PRO A 9 -15.220 10.020 -10.646 1.00 5.21 H new ATOM 92 N GLU A 10 -17.798 7.706 -6.455 1.00 31.20 N ATOM 93 CA GLU A 10 -18.121 7.488 -5.053 1.00 2.15 C ATOM 94 C GLU A 10 -17.141 6.524 -4.453 1.00 14.15 C ATOM 95 O GLU A 10 -16.563 6.765 -3.388 1.00 11.14 O ATOM 96 CB GLU A 10 -19.510 6.901 -4.922 1.00 64.10 C ATOM 97 CG GLU A 10 -20.610 7.771 -5.452 1.00 1.01 C ATOM 98 CD GLU A 10 -21.938 7.086 -5.377 1.00 71.41 C ATOM 99 OE1 GLU A 10 -22.607 7.183 -4.338 1.00 14.45 O ATOM 100 OE2 GLU A 10 -22.338 6.436 -6.366 1.00 53.42 O ATOM 0 H GLU A 10 -18.311 7.102 -7.097 1.00 31.20 H new ATOM 0 HA GLU A 10 -18.075 8.446 -4.534 1.00 2.15 H new ATOM 0 HB2 GLU A 10 -19.537 5.945 -5.446 1.00 64.10 H new ATOM 0 HB3 GLU A 10 -19.704 6.693 -3.870 1.00 64.10 H new ATOM 0 HG2 GLU A 10 -20.646 8.700 -4.883 1.00 1.01 H new ATOM 0 HG3 GLU A 10 -20.396 8.039 -6.487 1.00 1.01 H new ATOM 107 N GLY A 11 -16.972 5.436 -5.134 1.00 63.22 N ATOM 108 CA GLY A 11 -16.067 4.420 -4.709 1.00 11.32 C ATOM 109 C GLY A 11 -16.694 3.465 -3.722 1.00 41.40 C ATOM 110 O GLY A 11 -17.931 3.361 -3.623 1.00 64.31 O ATOM 0 H GLY A 11 -17.461 5.227 -6.005 1.00 63.22 H new ATOM 0 HA2 GLY A 11 -15.718 3.862 -5.578 1.00 11.32 H new ATOM 0 HA3 GLY A 11 -15.192 4.884 -4.255 1.00 11.32 H new ATOM 114 N SER A 12 -15.855 2.792 -3.007 1.00 20.32 N ATOM 115 CA SER A 12 -16.222 1.817 -2.017 1.00 12.42 C ATOM 116 C SER A 12 -15.033 1.724 -1.075 1.00 11.22 C ATOM 117 O SER A 12 -14.146 2.592 -1.140 1.00 1.32 O ATOM 118 CB SER A 12 -16.486 0.455 -2.715 1.00 63.01 C ATOM 119 OG SER A 12 -16.893 -0.563 -1.796 1.00 33.24 O ATOM 0 H SER A 12 -14.846 2.908 -3.096 1.00 20.32 H new ATOM 0 HA SER A 12 -17.128 2.088 -1.476 1.00 12.42 H new ATOM 0 HB2 SER A 12 -17.257 0.583 -3.475 1.00 63.01 H new ATOM 0 HB3 SER A 12 -15.581 0.133 -3.231 1.00 63.01 H new ATOM 0 HG SER A 12 -17.049 -1.399 -2.282 1.00 33.24 H new ATOM 125 N ARG A 13 -14.991 0.696 -0.223 1.00 51.20 N ATOM 126 CA ARG A 13 -13.841 0.502 0.672 1.00 51.43 C ATOM 127 C ARG A 13 -12.641 0.305 -0.214 1.00 32.45 C ATOM 128 O ARG A 13 -11.592 0.926 -0.039 1.00 62.22 O ATOM 129 CB ARG A 13 -13.969 -0.745 1.595 1.00 62.13 C ATOM 130 CG ARG A 13 -15.210 -0.846 2.489 1.00 21.14 C ATOM 131 CD ARG A 13 -16.454 -1.188 1.691 1.00 45.22 C ATOM 132 NE ARG A 13 -17.616 -1.423 2.534 1.00 54.52 N ATOM 133 CZ ARG A 13 -18.253 -2.602 2.619 1.00 31.33 C ATOM 134 NH1 ARG A 13 -17.738 -3.694 2.039 1.00 54.13 N ATOM 135 NH2 ARG A 13 -19.373 -2.696 3.311 1.00 33.32 N ATOM 0 H ARG A 13 -15.726 -0.006 -0.132 1.00 51.20 H new ATOM 0 HA ARG A 13 -13.768 1.370 1.328 1.00 51.43 H new ATOM 0 HB2 ARG A 13 -13.937 -1.634 0.964 1.00 62.13 H new ATOM 0 HB3 ARG A 13 -13.089 -0.778 2.238 1.00 62.13 H new ATOM 0 HG2 ARG A 13 -15.047 -1.607 3.252 1.00 21.14 H new ATOM 0 HG3 ARG A 13 -15.361 0.100 3.009 1.00 21.14 H new ATOM 0 HD2 ARG A 13 -16.671 -0.375 0.999 1.00 45.22 H new ATOM 0 HD3 ARG A 13 -16.262 -2.076 1.089 1.00 45.22 H new ATOM 0 HE ARG A 13 -17.968 -0.646 3.094 1.00 54.52 H new ATOM 0 HH11 ARG A 13 -16.857 -3.633 1.529 1.00 54.13 H new ATOM 0 HH12 ARG A 13 -18.227 -4.587 2.107 1.00 54.13 H new ATOM 0 HH21 ARG A 13 -19.753 -1.874 3.780 1.00 33.32 H new ATOM 0 HH22 ARG A 13 -19.858 -3.591 3.377 1.00 33.32 H new ATOM 147 N ILE A 14 -12.831 -0.558 -1.187 1.00 53.22 N ATOM 148 CA ILE A 14 -11.873 -0.806 -2.201 1.00 55.10 C ATOM 149 C ILE A 14 -12.462 -0.402 -3.528 1.00 35.21 C ATOM 150 O ILE A 14 -13.450 -0.977 -4.005 1.00 31.53 O ATOM 151 CB ILE A 14 -11.424 -2.278 -2.244 1.00 4.24 C ATOM 152 CG1 ILE A 14 -10.720 -2.641 -0.940 1.00 22.22 C ATOM 153 CG2 ILE A 14 -10.514 -2.539 -3.445 1.00 11.21 C ATOM 154 CD1 ILE A 14 -10.206 -4.042 -0.909 1.00 22.13 C ATOM 0 H ILE A 14 -13.682 -1.112 -1.283 1.00 53.22 H new ATOM 0 HA ILE A 14 -10.983 -0.217 -1.980 1.00 55.10 H new ATOM 0 HB ILE A 14 -12.306 -2.909 -2.356 1.00 4.24 H new ATOM 0 HG12 ILE A 14 -9.888 -1.954 -0.782 1.00 22.22 H new ATOM 0 HG13 ILE A 14 -11.413 -2.499 -0.111 1.00 22.22 H new ATOM 0 HG21 ILE A 14 -10.211 -3.586 -3.451 1.00 11.21 H new ATOM 0 HG22 ILE A 14 -11.052 -2.311 -4.365 1.00 11.21 H new ATOM 0 HG23 ILE A 14 -9.629 -1.906 -3.375 1.00 11.21 H new ATOM 0 HD11 ILE A 14 -9.718 -4.229 0.047 1.00 22.13 H new ATOM 0 HD12 ILE A 14 -11.036 -4.737 -1.035 1.00 22.13 H new ATOM 0 HD13 ILE A 14 -9.488 -4.184 -1.717 1.00 22.13 H new ATOM 161 N THR A 15 -11.895 0.585 -4.094 1.00 23.43 N ATOM 162 CA THR A 15 -12.353 1.091 -5.338 1.00 70.23 C ATOM 163 C THR A 15 -11.466 0.556 -6.447 1.00 15.02 C ATOM 164 O THR A 15 -10.268 0.832 -6.475 1.00 74.12 O ATOM 165 CB THR A 15 -12.335 2.627 -5.313 1.00 24.13 C ATOM 166 OG1 THR A 15 -13.102 3.065 -4.173 1.00 74.02 O ATOM 167 CG2 THR A 15 -12.949 3.204 -6.589 1.00 31.32 C ATOM 0 H THR A 15 -11.089 1.077 -3.709 1.00 23.43 H new ATOM 0 HA THR A 15 -13.378 0.767 -5.519 1.00 70.23 H new ATOM 0 HB THR A 15 -11.304 2.975 -5.247 1.00 24.13 H new ATOM 0 HG1 THR A 15 -12.658 2.775 -3.349 1.00 74.02 H new ATOM 0 HG21 THR A 15 -12.924 4.293 -6.545 1.00 31.32 H new ATOM 0 HG22 THR A 15 -12.380 2.862 -7.453 1.00 31.32 H new ATOM 0 HG23 THR A 15 -13.982 2.869 -6.680 1.00 31.32 H new ATOM 173 N TYR A 16 -12.041 -0.232 -7.323 1.00 63.41 N ATOM 174 CA TYR A 16 -11.298 -0.812 -8.414 1.00 40.23 C ATOM 175 C TYR A 16 -11.280 0.144 -9.581 1.00 41.44 C ATOM 176 O TYR A 16 -12.328 0.457 -10.151 1.00 72.01 O ATOM 177 CB TYR A 16 -11.900 -2.167 -8.847 1.00 70.30 C ATOM 178 CG TYR A 16 -11.927 -3.223 -7.755 1.00 63.50 C ATOM 179 CD1 TYR A 16 -10.776 -3.896 -7.392 1.00 43.11 C ATOM 180 CD2 TYR A 16 -13.102 -3.536 -7.086 1.00 2.43 C ATOM 181 CE1 TYR A 16 -10.782 -4.850 -6.394 1.00 34.33 C ATOM 182 CE2 TYR A 16 -13.124 -4.488 -6.084 1.00 23.43 C ATOM 183 CZ TYR A 16 -11.959 -5.144 -5.741 1.00 15.20 C ATOM 184 OH TYR A 16 -11.977 -6.099 -4.733 1.00 53.14 O ATOM 0 H TYR A 16 -13.028 -0.487 -7.300 1.00 63.41 H new ATOM 0 HA TYR A 16 -10.278 -0.993 -8.075 1.00 40.23 H new ATOM 0 HB2 TYR A 16 -12.918 -2.002 -9.200 1.00 70.30 H new ATOM 0 HB3 TYR A 16 -11.328 -2.551 -9.692 1.00 70.30 H new ATOM 0 HD1 TYR A 16 -9.850 -3.671 -7.901 1.00 43.11 H new ATOM 0 HD2 TYR A 16 -14.016 -3.026 -7.353 1.00 2.43 H new ATOM 0 HE1 TYR A 16 -9.870 -5.363 -6.127 1.00 34.33 H new ATOM 0 HE2 TYR A 16 -14.047 -4.717 -5.573 1.00 23.43 H new ATOM 0 HH TYR A 16 -12.886 -6.182 -4.378 1.00 53.14 H new ATOM 194 N VAL A 17 -10.116 0.628 -9.913 1.00 62.23 N ATOM 195 CA VAL A 17 -9.964 1.522 -11.026 1.00 54.24 C ATOM 196 C VAL A 17 -8.851 1.029 -11.924 1.00 22.32 C ATOM 197 O VAL A 17 -7.825 0.550 -11.457 1.00 54.41 O ATOM 198 CB VAL A 17 -9.697 2.997 -10.571 1.00 71.35 C ATOM 199 CG1 VAL A 17 -8.424 3.124 -9.761 1.00 44.04 C ATOM 200 CG2 VAL A 17 -9.691 3.958 -11.752 1.00 72.23 C ATOM 0 H VAL A 17 -9.248 0.415 -9.421 1.00 62.23 H new ATOM 0 HA VAL A 17 -10.903 1.530 -11.580 1.00 54.24 H new ATOM 0 HB VAL A 17 -10.525 3.275 -9.919 1.00 71.35 H new ATOM 0 HG11 VAL A 17 -8.281 4.164 -9.468 1.00 44.04 H new ATOM 0 HG12 VAL A 17 -8.497 2.503 -8.868 1.00 44.04 H new ATOM 0 HG13 VAL A 17 -7.576 2.797 -10.362 1.00 44.04 H new ATOM 0 HG21 VAL A 17 -9.503 4.971 -11.396 1.00 72.23 H new ATOM 0 HG22 VAL A 17 -8.908 3.668 -12.453 1.00 72.23 H new ATOM 0 HG23 VAL A 17 -10.658 3.924 -12.254 1.00 72.23 H new ATOM 206 N LYS A 18 -9.071 1.104 -13.187 1.00 60.43 N ATOM 207 CA LYS A 18 -8.087 0.696 -14.143 1.00 30.41 C ATOM 208 C LYS A 18 -7.222 1.857 -14.496 1.00 54.23 C ATOM 209 O LYS A 18 -7.704 2.989 -14.599 1.00 32.20 O ATOM 210 CB LYS A 18 -8.750 0.106 -15.370 1.00 23.30 C ATOM 211 CG LYS A 18 -9.459 -1.192 -15.069 1.00 3.11 C ATOM 212 CD LYS A 18 -10.288 -1.696 -16.236 1.00 62.11 C ATOM 213 CE LYS A 18 -9.455 -1.963 -17.477 1.00 51.12 C ATOM 214 NZ LYS A 18 -10.273 -2.530 -18.568 1.00 0.44 N ATOM 0 H LYS A 18 -9.939 1.450 -13.596 1.00 60.43 H new ATOM 0 HA LYS A 18 -7.459 -0.081 -13.706 1.00 30.41 H new ATOM 0 HB2 LYS A 18 -9.465 0.823 -15.774 1.00 23.30 H new ATOM 0 HB3 LYS A 18 -7.998 -0.063 -16.141 1.00 23.30 H new ATOM 0 HG2 LYS A 18 -8.722 -1.949 -14.800 1.00 3.11 H new ATOM 0 HG3 LYS A 18 -10.106 -1.054 -14.203 1.00 3.11 H new ATOM 0 HD2 LYS A 18 -10.800 -2.613 -15.943 1.00 62.11 H new ATOM 0 HD3 LYS A 18 -11.059 -0.962 -16.472 1.00 62.11 H new ATOM 0 HE2 LYS A 18 -8.993 -1.035 -17.813 1.00 51.12 H new ATOM 0 HE3 LYS A 18 -8.646 -2.651 -17.232 1.00 51.12 H new ATOM 0 HZ1 LYS A 18 -9.672 -2.700 -19.400 1.00 0.44 H new ATOM 0 HZ2 LYS A 18 -10.694 -3.428 -18.256 1.00 0.44 H new ATOM 0 HZ3 LYS A 18 -11.030 -1.862 -18.818 1.00 0.44 H new ATOM 228 N GLY A 19 -5.967 1.597 -14.649 1.00 61.53 N ATOM 229 CA GLY A 19 -5.036 2.646 -14.963 1.00 52.40 C ATOM 230 C GLY A 19 -3.792 2.525 -14.142 1.00 63.21 C ATOM 231 O GLY A 19 -3.771 1.782 -13.177 1.00 44.51 O ATOM 0 H GLY A 19 -5.555 0.668 -14.563 1.00 61.53 H new ATOM 0 HA2 GLY A 19 -4.782 2.606 -16.022 1.00 52.40 H new ATOM 0 HA3 GLY A 19 -5.501 3.615 -14.783 1.00 52.40 H new ATOM 235 N ASP A 20 -2.773 3.264 -14.513 1.00 53.13 N ATOM 236 CA ASP A 20 -1.474 3.209 -13.871 1.00 34.02 C ATOM 237 C ASP A 20 -1.536 3.771 -12.455 1.00 2.50 C ATOM 238 O ASP A 20 -2.090 4.862 -12.231 1.00 72.53 O ATOM 239 CB ASP A 20 -0.463 4.008 -14.693 1.00 24.01 C ATOM 240 CG ASP A 20 -0.320 3.510 -16.117 1.00 62.00 C ATOM 241 OD1 ASP A 20 -1.125 3.918 -16.984 1.00 23.32 O ATOM 242 OD2 ASP A 20 0.589 2.731 -16.396 1.00 5.15 O ATOM 0 H ASP A 20 -2.821 3.933 -15.282 1.00 53.13 H new ATOM 0 HA ASP A 20 -1.165 2.165 -13.813 1.00 34.02 H new ATOM 0 HB2 ASP A 20 -0.766 5.055 -14.710 1.00 24.01 H new ATOM 0 HB3 ASP A 20 0.509 3.966 -14.201 1.00 24.01 H new ATOM 247 N LEU A 21 -0.948 3.040 -11.513 1.00 24.02 N ATOM 248 CA LEU A 21 -0.938 3.406 -10.088 1.00 51.32 C ATOM 249 C LEU A 21 -0.227 4.730 -9.838 1.00 11.12 C ATOM 250 O LEU A 21 -0.689 5.556 -9.067 1.00 12.43 O ATOM 251 CB LEU A 21 -0.230 2.306 -9.285 1.00 73.14 C ATOM 252 CG LEU A 21 -0.079 2.526 -7.776 1.00 32.43 C ATOM 253 CD1 LEU A 21 -1.425 2.579 -7.089 1.00 63.14 C ATOM 254 CD2 LEU A 21 0.792 1.451 -7.170 1.00 64.41 C ATOM 0 H LEU A 21 -0.459 2.168 -11.712 1.00 24.02 H new ATOM 0 HA LEU A 21 -1.975 3.514 -9.771 1.00 51.32 H new ATOM 0 HB2 LEU A 21 -0.774 1.374 -9.437 1.00 73.14 H new ATOM 0 HB3 LEU A 21 0.765 2.167 -9.707 1.00 73.14 H new ATOM 0 HG LEU A 21 0.406 3.491 -7.624 1.00 32.43 H new ATOM 0 HD11 LEU A 21 -1.282 2.736 -6.020 1.00 63.14 H new ATOM 0 HD12 LEU A 21 -2.012 3.400 -7.501 1.00 63.14 H new ATOM 0 HD13 LEU A 21 -1.953 1.639 -7.250 1.00 63.14 H new ATOM 0 HD21 LEU A 21 0.889 1.622 -6.098 1.00 64.41 H new ATOM 0 HD22 LEU A 21 0.338 0.475 -7.342 1.00 64.41 H new ATOM 0 HD23 LEU A 21 1.779 1.479 -7.632 1.00 64.41 H new ATOM 262 N PHE A 22 0.865 4.928 -10.532 1.00 10.10 N ATOM 263 CA PHE A 22 1.762 6.069 -10.313 1.00 2.12 C ATOM 264 C PHE A 22 1.193 7.423 -10.756 1.00 32.35 C ATOM 265 O PHE A 22 1.858 8.445 -10.646 1.00 40.34 O ATOM 266 CB PHE A 22 3.155 5.789 -10.883 1.00 61.40 C ATOM 267 CG PHE A 22 3.804 4.611 -10.207 1.00 32.33 C ATOM 268 CD1 PHE A 22 4.386 4.755 -8.958 1.00 35.14 C ATOM 269 CD2 PHE A 22 3.812 3.358 -10.803 1.00 53.24 C ATOM 270 CE1 PHE A 22 4.958 3.680 -8.318 1.00 43.15 C ATOM 271 CE2 PHE A 22 4.386 2.285 -10.168 1.00 15.21 C ATOM 272 CZ PHE A 22 4.957 2.443 -8.923 1.00 0.32 C ATOM 0 H PHE A 22 1.173 4.303 -11.277 1.00 10.10 H new ATOM 0 HA PHE A 22 1.858 6.173 -9.232 1.00 2.12 H new ATOM 0 HB2 PHE A 22 3.079 5.598 -11.954 1.00 61.40 H new ATOM 0 HB3 PHE A 22 3.783 6.671 -10.760 1.00 61.40 H new ATOM 0 HD1 PHE A 22 4.391 5.724 -8.481 1.00 35.14 H new ATOM 0 HD2 PHE A 22 3.362 3.226 -11.776 1.00 53.24 H new ATOM 0 HE1 PHE A 22 5.407 3.806 -7.344 1.00 43.15 H new ATOM 0 HE2 PHE A 22 4.390 1.316 -10.644 1.00 15.21 H new ATOM 0 HZ PHE A 22 5.403 1.597 -8.422 1.00 0.32 H new ATOM 282 N ALA A 23 -0.017 7.425 -11.241 1.00 21.03 N ATOM 283 CA ALA A 23 -0.661 8.644 -11.691 1.00 73.50 C ATOM 284 C ALA A 23 -1.545 9.267 -10.591 1.00 3.13 C ATOM 285 O ALA A 23 -2.335 10.179 -10.863 1.00 12.15 O ATOM 286 CB ALA A 23 -1.489 8.342 -12.908 1.00 64.10 C ATOM 0 H ALA A 23 -0.590 6.587 -11.339 1.00 21.03 H new ATOM 0 HA ALA A 23 0.114 9.371 -11.934 1.00 73.50 H new ATOM 0 HB1 ALA A 23 -1.976 9.254 -13.252 1.00 64.10 H new ATOM 0 HB2 ALA A 23 -0.846 7.954 -13.698 1.00 64.10 H new ATOM 0 HB3 ALA A 23 -2.246 7.599 -12.658 1.00 64.10 H new ATOM 292 N CYS A 24 -1.407 8.783 -9.363 1.00 42.33 N ATOM 293 CA CYS A 24 -2.213 9.276 -8.251 1.00 53.33 C ATOM 294 C CYS A 24 -1.660 10.613 -7.673 1.00 13.03 C ATOM 295 O CYS A 24 -0.459 10.918 -7.831 1.00 63.12 O ATOM 296 CB CYS A 24 -2.329 8.196 -7.167 1.00 31.35 C ATOM 297 SG CYS A 24 -0.758 7.623 -6.496 1.00 54.44 S ATOM 0 H CYS A 24 -0.745 8.049 -9.111 1.00 42.33 H new ATOM 0 HA CYS A 24 -3.211 9.496 -8.629 1.00 53.33 H new ATOM 0 HB2 CYS A 24 -2.936 8.586 -6.350 1.00 31.35 H new ATOM 0 HB3 CYS A 24 -2.864 7.341 -7.582 1.00 31.35 H new ATOM 0 HG CYS A 24 -0.948 7.127 -5.309 1.00 54.44 H new ATOM 303 N PRO A 25 -2.542 11.439 -7.024 1.00 30.54 N ATOM 304 CA PRO A 25 -2.172 12.761 -6.436 1.00 31.11 C ATOM 305 C PRO A 25 -1.156 12.682 -5.281 1.00 34.42 C ATOM 306 O PRO A 25 -0.861 11.609 -4.761 1.00 0.52 O ATOM 307 CB PRO A 25 -3.508 13.276 -5.879 1.00 22.05 C ATOM 308 CG PRO A 25 -4.544 12.538 -6.636 1.00 74.02 C ATOM 309 CD PRO A 25 -3.984 11.169 -6.832 1.00 13.24 C ATOM 0 HA PRO A 25 -1.694 13.389 -7.187 1.00 31.11 H new ATOM 0 HB2 PRO A 25 -3.590 13.086 -4.809 1.00 22.05 H new ATOM 0 HB3 PRO A 25 -3.607 14.352 -6.020 1.00 22.05 H new ATOM 0 HG2 PRO A 25 -5.484 12.504 -6.086 1.00 74.02 H new ATOM 0 HG3 PRO A 25 -4.751 13.019 -7.592 1.00 74.02 H new ATOM 0 HD2 PRO A 25 -4.166 10.529 -5.969 1.00 13.24 H new ATOM 0 HD3 PRO A 25 -4.423 10.671 -7.697 1.00 13.24 H new ATOM 317 N LYS A 26 -0.638 13.844 -4.874 1.00 13.24 N ATOM 318 CA LYS A 26 0.303 13.941 -3.780 1.00 73.33 C ATOM 319 C LYS A 26 -0.391 13.825 -2.434 1.00 44.31 C ATOM 320 O LYS A 26 0.243 13.612 -1.413 1.00 73.13 O ATOM 321 CB LYS A 26 1.078 15.233 -3.853 1.00 34.44 C ATOM 322 CG LYS A 26 1.908 15.366 -5.098 1.00 74.54 C ATOM 323 CD LYS A 26 2.810 16.583 -5.052 1.00 54.32 C ATOM 324 CE LYS A 26 3.654 16.687 -6.310 1.00 44.24 C ATOM 325 NZ LYS A 26 4.610 17.812 -6.253 1.00 63.13 N ATOM 0 H LYS A 26 -0.867 14.741 -5.302 1.00 13.24 H new ATOM 0 HA LYS A 26 0.998 13.107 -3.875 1.00 73.33 H new ATOM 0 HB2 LYS A 26 0.381 16.069 -3.800 1.00 34.44 H new ATOM 0 HB3 LYS A 26 1.730 15.306 -2.982 1.00 34.44 H new ATOM 0 HG2 LYS A 26 2.515 14.470 -5.227 1.00 74.54 H new ATOM 0 HG3 LYS A 26 1.252 15.434 -5.966 1.00 74.54 H new ATOM 0 HD2 LYS A 26 2.206 17.483 -4.941 1.00 54.32 H new ATOM 0 HD3 LYS A 26 3.460 16.525 -4.179 1.00 54.32 H new ATOM 0 HE2 LYS A 26 4.201 15.756 -6.456 1.00 44.24 H new ATOM 0 HE3 LYS A 26 3.001 16.812 -7.174 1.00 44.24 H new ATOM 0 HZ1 LYS A 26 5.163 17.842 -7.133 1.00 63.13 H new ATOM 0 HZ2 LYS A 26 4.089 18.705 -6.141 1.00 63.13 H new ATOM 0 HZ3 LYS A 26 5.252 17.682 -5.445 1.00 63.13 H new ATOM 339 N THR A 27 -1.679 13.996 -2.442 1.00 5.31 N ATOM 340 CA THR A 27 -2.483 13.853 -1.241 1.00 4.22 C ATOM 341 C THR A 27 -2.836 12.382 -0.981 1.00 63.13 C ATOM 342 O THR A 27 -3.435 12.036 0.035 1.00 34.53 O ATOM 343 CB THR A 27 -3.758 14.710 -1.344 1.00 64.33 C ATOM 344 OG1 THR A 27 -4.392 14.471 -2.622 1.00 63.12 O ATOM 345 CG2 THR A 27 -3.430 16.191 -1.200 1.00 13.14 C ATOM 0 H THR A 27 -2.213 14.239 -3.276 1.00 5.31 H new ATOM 0 HA THR A 27 -1.894 14.207 -0.395 1.00 4.22 H new ATOM 0 HB THR A 27 -4.435 14.430 -0.536 1.00 64.33 H new ATOM 0 HG1 THR A 27 -5.205 15.014 -2.690 1.00 63.12 H new ATOM 0 HG21 THR A 27 -4.347 16.776 -1.276 1.00 13.14 H new ATOM 0 HG22 THR A 27 -2.966 16.368 -0.230 1.00 13.14 H new ATOM 0 HG23 THR A 27 -2.742 16.490 -1.991 1.00 13.14 H new ATOM 351 N ASP A 28 -2.467 11.541 -1.927 1.00 62.11 N ATOM 352 CA ASP A 28 -2.686 10.090 -1.861 1.00 41.34 C ATOM 353 C ASP A 28 -1.552 9.419 -1.065 1.00 42.11 C ATOM 354 O ASP A 28 -0.620 10.079 -0.659 1.00 4.52 O ATOM 355 CB ASP A 28 -2.743 9.551 -3.309 1.00 43.11 C ATOM 356 CG ASP A 28 -2.821 8.055 -3.410 1.00 34.14 C ATOM 357 OD1 ASP A 28 -3.854 7.497 -3.069 1.00 75.42 O ATOM 358 OD2 ASP A 28 -1.810 7.433 -3.815 1.00 14.43 O ATOM 0 H ASP A 28 -1.998 11.841 -2.782 1.00 62.11 H new ATOM 0 HA ASP A 28 -3.622 9.866 -1.349 1.00 41.34 H new ATOM 0 HB2 ASP A 28 -3.609 9.983 -3.811 1.00 43.11 H new ATOM 0 HB3 ASP A 28 -1.859 9.894 -3.847 1.00 43.11 H new ATOM 363 N SER A 29 -1.654 8.151 -0.807 1.00 42.44 N ATOM 364 CA SER A 29 -0.598 7.404 -0.175 1.00 14.14 C ATOM 365 C SER A 29 -0.497 6.027 -0.824 1.00 5.21 C ATOM 366 O SER A 29 -1.496 5.345 -0.980 1.00 73.13 O ATOM 367 CB SER A 29 -0.838 7.312 1.329 1.00 32.33 C ATOM 368 OG SER A 29 -0.846 8.618 1.906 1.00 2.04 O ATOM 0 H SER A 29 -2.480 7.595 -1.030 1.00 42.44 H new ATOM 0 HA SER A 29 0.354 7.916 -0.315 1.00 14.14 H new ATOM 0 HB2 SER A 29 -1.788 6.814 1.524 1.00 32.33 H new ATOM 0 HB3 SER A 29 -0.060 6.706 1.793 1.00 32.33 H new ATOM 0 HG SER A 29 -0.526 8.569 2.831 1.00 2.04 H new ATOM 374 N LEU A 30 0.703 5.645 -1.208 1.00 50.45 N ATOM 375 CA LEU A 30 0.931 4.383 -1.905 1.00 43.44 C ATOM 376 C LEU A 30 1.306 3.290 -0.933 1.00 32.50 C ATOM 377 O LEU A 30 2.185 3.473 -0.106 1.00 74.21 O ATOM 378 CB LEU A 30 2.064 4.543 -2.931 1.00 22.43 C ATOM 379 CG LEU A 30 1.814 5.507 -4.093 1.00 4.22 C ATOM 380 CD1 LEU A 30 3.122 5.876 -4.779 1.00 55.11 C ATOM 381 CD2 LEU A 30 0.943 4.819 -5.098 1.00 44.15 C ATOM 0 H LEU A 30 1.549 6.193 -1.050 1.00 50.45 H new ATOM 0 HA LEU A 30 0.005 4.110 -2.411 1.00 43.44 H new ATOM 0 HB2 LEU A 30 2.957 4.874 -2.401 1.00 22.43 H new ATOM 0 HB3 LEU A 30 2.286 3.560 -3.347 1.00 22.43 H new ATOM 0 HG LEU A 30 1.344 6.411 -3.706 1.00 4.22 H new ATOM 0 HD11 LEU A 30 2.920 6.562 -5.602 1.00 55.11 H new ATOM 0 HD12 LEU A 30 3.787 6.356 -4.061 1.00 55.11 H new ATOM 0 HD13 LEU A 30 3.597 4.974 -5.166 1.00 55.11 H new ATOM 0 HD21 LEU A 30 0.753 5.491 -5.935 1.00 44.15 H new ATOM 0 HD22 LEU A 30 1.444 3.921 -5.460 1.00 44.15 H new ATOM 0 HD23 LEU A 30 -0.003 4.544 -4.632 1.00 44.15 H new ATOM 389 N ALA A 31 0.654 2.164 -1.031 1.00 53.01 N ATOM 390 CA ALA A 31 0.974 1.028 -0.189 1.00 43.24 C ATOM 391 C ALA A 31 1.259 -0.185 -1.041 1.00 44.10 C ATOM 392 O ALA A 31 0.717 -0.318 -2.139 1.00 51.44 O ATOM 393 CB ALA A 31 -0.156 0.731 0.780 1.00 45.42 C ATOM 0 H ALA A 31 -0.109 2.001 -1.688 1.00 53.01 H new ATOM 0 HA ALA A 31 1.863 1.275 0.391 1.00 43.24 H new ATOM 0 HB1 ALA A 31 0.111 -0.126 1.399 1.00 45.42 H new ATOM 0 HB2 ALA A 31 -0.327 1.599 1.416 1.00 45.42 H new ATOM 0 HB3 ALA A 31 -1.065 0.506 0.221 1.00 45.42 H new ATOM 399 N HIS A 32 2.132 -1.053 -0.559 1.00 2.41 N ATOM 400 CA HIS A 32 2.458 -2.288 -1.258 1.00 74.33 C ATOM 401 C HIS A 32 3.184 -3.261 -0.351 1.00 44.03 C ATOM 402 O HIS A 32 3.640 -2.895 0.730 1.00 52.03 O ATOM 403 CB HIS A 32 3.241 -2.050 -2.576 1.00 53.20 C ATOM 404 CG HIS A 32 4.547 -1.330 -2.433 1.00 62.21 C ATOM 405 ND1 HIS A 32 5.767 -1.915 -2.709 1.00 72.42 N ATOM 406 CD2 HIS A 32 4.815 -0.044 -2.112 1.00 31.14 C ATOM 407 CE1 HIS A 32 6.713 -1.029 -2.565 1.00 23.22 C ATOM 408 NE2 HIS A 32 6.165 0.117 -2.205 1.00 3.35 N ATOM 0 H HIS A 32 2.632 -0.925 0.321 1.00 2.41 H new ATOM 0 HA HIS A 32 1.507 -2.738 -1.545 1.00 74.33 H new ATOM 0 HB2 HIS A 32 3.429 -3.016 -3.045 1.00 53.20 H new ATOM 0 HB3 HIS A 32 2.607 -1.483 -3.257 1.00 53.20 H new ATOM 0 HD2 HIS A 32 4.096 0.712 -1.835 1.00 31.14 H new ATOM 0 HE1 HIS A 32 7.768 -1.203 -2.715 1.00 23.22 H new ATOM 0 HE2 HIS A 32 6.671 0.984 -2.025 1.00 3.35 H new ATOM 417 N CYS A 33 3.297 -4.473 -0.812 1.00 30.04 N ATOM 418 CA CYS A 33 3.863 -5.564 -0.063 1.00 21.32 C ATOM 419 C CYS A 33 5.318 -5.829 -0.456 1.00 62.01 C ATOM 420 O CYS A 33 5.680 -5.702 -1.639 1.00 63.12 O ATOM 421 CB CYS A 33 3.006 -6.808 -0.336 1.00 50.30 C ATOM 422 SG CYS A 33 3.600 -8.334 0.388 1.00 41.53 S ATOM 0 H CYS A 33 2.989 -4.740 -1.747 1.00 30.04 H new ATOM 0 HA CYS A 33 3.864 -5.313 0.998 1.00 21.32 H new ATOM 0 HB2 CYS A 33 1.998 -6.620 0.033 1.00 50.30 H new ATOM 0 HB3 CYS A 33 2.930 -6.945 -1.415 1.00 50.30 H new ATOM 0 HG CYS A 33 2.788 -9.303 0.085 1.00 41.53 H new ATOM 428 N ILE A 34 6.144 -6.136 0.551 1.00 30.32 N ATOM 429 CA ILE A 34 7.536 -6.567 0.390 1.00 14.35 C ATOM 430 C ILE A 34 7.898 -7.486 1.566 1.00 45.04 C ATOM 431 O ILE A 34 7.083 -7.700 2.462 1.00 74.14 O ATOM 432 CB ILE A 34 8.593 -5.405 0.311 1.00 13.01 C ATOM 433 CG1 ILE A 34 8.599 -4.539 1.568 1.00 11.22 C ATOM 434 CG2 ILE A 34 8.412 -4.546 -0.942 1.00 33.43 C ATOM 435 CD1 ILE A 34 9.709 -3.508 1.561 1.00 51.12 C ATOM 0 H ILE A 34 5.853 -6.090 1.528 1.00 30.32 H new ATOM 0 HA ILE A 34 7.585 -7.074 -0.574 1.00 14.35 H new ATOM 0 HB ILE A 34 9.568 -5.888 0.243 1.00 13.01 H new ATOM 0 HG12 ILE A 34 7.638 -4.032 1.660 1.00 11.22 H new ATOM 0 HG13 ILE A 34 8.707 -5.178 2.444 1.00 11.22 H new ATOM 0 HG21 ILE A 34 9.164 -3.757 -0.954 1.00 33.43 H new ATOM 0 HG22 ILE A 34 8.526 -5.169 -1.829 1.00 33.43 H new ATOM 0 HG23 ILE A 34 7.418 -4.100 -0.937 1.00 33.43 H new ATOM 0 HD11 ILE A 34 9.666 -2.921 2.478 1.00 51.12 H new ATOM 0 HD12 ILE A 34 10.673 -4.012 1.498 1.00 51.12 H new ATOM 0 HD13 ILE A 34 9.588 -2.849 0.702 1.00 51.12 H new ATOM 442 N SER A 35 9.064 -8.062 1.549 1.00 3.32 N ATOM 443 CA SER A 35 9.494 -8.887 2.658 1.00 53.12 C ATOM 444 C SER A 35 10.510 -8.130 3.543 1.00 63.31 C ATOM 445 O SER A 35 11.017 -7.076 3.154 1.00 53.13 O ATOM 446 CB SER A 35 10.090 -10.192 2.140 1.00 1.31 C ATOM 447 OG SER A 35 9.135 -10.916 1.383 1.00 61.41 O ATOM 0 H SER A 35 9.737 -7.981 0.787 1.00 3.32 H new ATOM 0 HA SER A 35 8.626 -9.123 3.274 1.00 53.12 H new ATOM 0 HB2 SER A 35 10.963 -9.979 1.524 1.00 1.31 H new ATOM 0 HB3 SER A 35 10.432 -10.799 2.978 1.00 1.31 H new ATOM 0 HG SER A 35 8.246 -10.796 1.777 1.00 61.41 H new ATOM 453 N GLU A 36 10.820 -8.708 4.705 1.00 72.21 N ATOM 454 CA GLU A 36 11.751 -8.146 5.720 1.00 0.30 C ATOM 455 C GLU A 36 13.184 -8.051 5.155 1.00 21.21 C ATOM 456 O GLU A 36 14.001 -7.239 5.587 1.00 74.01 O ATOM 457 CB GLU A 36 11.623 -9.043 6.989 1.00 41.35 C ATOM 458 CG GLU A 36 12.494 -8.740 8.209 1.00 63.24 C ATOM 459 CD GLU A 36 13.746 -9.584 8.297 1.00 21.53 C ATOM 460 OE1 GLU A 36 13.647 -10.746 8.745 1.00 25.23 O ATOM 461 OE2 GLU A 36 14.840 -9.100 7.983 1.00 4.53 O ATOM 0 H GLU A 36 10.426 -9.606 4.986 1.00 72.21 H new ATOM 0 HA GLU A 36 11.497 -7.121 5.990 1.00 0.30 H new ATOM 0 HB2 GLU A 36 10.583 -9.008 7.312 1.00 41.35 H new ATOM 0 HB3 GLU A 36 11.828 -10.070 6.687 1.00 41.35 H new ATOM 0 HG2 GLU A 36 12.778 -7.688 8.187 1.00 63.24 H new ATOM 0 HG3 GLU A 36 11.902 -8.891 9.112 1.00 63.24 H new ATOM 468 N ASP A 37 13.417 -8.837 4.130 1.00 2.15 N ATOM 469 CA ASP A 37 14.684 -8.898 3.384 1.00 11.34 C ATOM 470 C ASP A 37 14.877 -7.628 2.550 1.00 62.00 C ATOM 471 O ASP A 37 15.984 -7.308 2.121 1.00 54.01 O ATOM 472 CB ASP A 37 14.626 -10.162 2.509 1.00 3.05 C ATOM 473 CG ASP A 37 15.747 -10.376 1.525 1.00 41.23 C ATOM 474 OD1 ASP A 37 16.900 -10.592 1.940 1.00 13.03 O ATOM 475 OD2 ASP A 37 15.462 -10.425 0.326 1.00 51.34 O ATOM 0 H ASP A 37 12.714 -9.481 3.768 1.00 2.15 H new ATOM 0 HA ASP A 37 15.540 -8.952 4.056 1.00 11.34 H new ATOM 0 HB2 ASP A 37 14.588 -11.028 3.170 1.00 3.05 H new ATOM 0 HB3 ASP A 37 13.689 -10.144 1.953 1.00 3.05 H new ATOM 480 N CYS A 38 13.767 -6.912 2.338 1.00 34.11 N ATOM 481 CA CYS A 38 13.712 -5.604 1.651 1.00 13.30 C ATOM 482 C CYS A 38 14.216 -5.645 0.204 1.00 11.32 C ATOM 483 O CYS A 38 14.411 -4.609 -0.422 1.00 21.51 O ATOM 484 CB CYS A 38 14.451 -4.534 2.459 1.00 53.24 C ATOM 485 SG CYS A 38 13.879 -4.408 4.179 1.00 61.02 S ATOM 0 H CYS A 38 12.849 -7.232 2.648 1.00 34.11 H new ATOM 0 HA CYS A 38 12.656 -5.340 1.591 1.00 13.30 H new ATOM 0 HB2 CYS A 38 15.518 -4.757 2.454 1.00 53.24 H new ATOM 0 HB3 CYS A 38 14.325 -3.568 1.970 1.00 53.24 H new ATOM 0 HG CYS A 38 13.933 -5.579 4.741 1.00 61.02 H new ATOM 491 N ARG A 39 14.411 -6.819 -0.325 1.00 3.40 N ATOM 492 CA ARG A 39 14.801 -6.959 -1.699 1.00 1.52 C ATOM 493 C ARG A 39 13.573 -7.024 -2.565 1.00 53.32 C ATOM 494 O ARG A 39 13.019 -8.093 -2.829 1.00 21.33 O ATOM 495 CB ARG A 39 15.705 -8.152 -1.893 1.00 21.45 C ATOM 496 CG ARG A 39 17.077 -7.987 -1.258 1.00 53.31 C ATOM 497 CD ARG A 39 17.803 -9.310 -1.186 1.00 2.11 C ATOM 498 NE ARG A 39 17.900 -9.977 -2.479 1.00 14.40 N ATOM 499 CZ ARG A 39 17.267 -11.117 -2.786 1.00 51.34 C ATOM 500 NH1 ARG A 39 16.348 -11.622 -1.948 1.00 13.12 N ATOM 501 NH2 ARG A 39 17.511 -11.719 -3.943 1.00 73.14 N ATOM 0 H ARG A 39 14.305 -7.700 0.179 1.00 3.40 H new ATOM 0 HA ARG A 39 15.381 -6.086 -1.999 1.00 1.52 H new ATOM 0 HB2 ARG A 39 15.223 -9.035 -1.472 1.00 21.45 H new ATOM 0 HB3 ARG A 39 15.828 -8.334 -2.961 1.00 21.45 H new ATOM 0 HG2 ARG A 39 17.666 -7.276 -1.837 1.00 53.31 H new ATOM 0 HG3 ARG A 39 16.970 -7.572 -0.256 1.00 53.31 H new ATOM 0 HD2 ARG A 39 18.806 -9.147 -0.791 1.00 2.11 H new ATOM 0 HD3 ARG A 39 17.286 -9.964 -0.484 1.00 2.11 H new ATOM 0 HE ARG A 39 18.487 -9.549 -3.195 1.00 14.40 H new ATOM 0 HH11 ARG A 39 16.131 -11.138 -1.077 1.00 13.12 H new ATOM 0 HH12 ARG A 39 15.866 -12.490 -2.182 1.00 13.12 H new ATOM 0 HH21 ARG A 39 18.180 -11.314 -4.598 1.00 73.14 H new ATOM 0 HH22 ARG A 39 17.030 -12.587 -4.178 1.00 73.14 H new ATOM 513 N MET A 40 13.117 -5.863 -2.943 1.00 55.32 N ATOM 514 CA MET A 40 11.899 -5.706 -3.689 1.00 22.45 C ATOM 515 C MET A 40 12.194 -5.627 -5.195 1.00 25.23 C ATOM 516 O MET A 40 11.287 -5.405 -6.016 1.00 21.45 O ATOM 517 CB MET A 40 11.179 -4.418 -3.248 1.00 20.33 C ATOM 518 CG MET A 40 11.835 -3.111 -3.738 1.00 63.35 C ATOM 519 SD MET A 40 13.431 -2.750 -2.985 1.00 72.45 S ATOM 520 CE MET A 40 12.921 -2.058 -1.421 1.00 41.43 C ATOM 0 H MET A 40 13.590 -4.983 -2.738 1.00 55.32 H new ATOM 0 HA MET A 40 11.264 -6.570 -3.495 1.00 22.45 H new ATOM 0 HB2 MET A 40 10.151 -4.450 -3.610 1.00 20.33 H new ATOM 0 HB3 MET A 40 11.133 -4.399 -2.159 1.00 20.33 H new ATOM 0 HG2 MET A 40 11.961 -3.166 -4.819 1.00 63.35 H new ATOM 0 HG3 MET A 40 11.157 -2.281 -3.538 1.00 63.35 H new ATOM 0 HE1 MET A 40 13.780 -1.999 -0.752 1.00 41.43 H new ATOM 0 HE2 MET A 40 12.516 -1.059 -1.580 1.00 41.43 H new ATOM 0 HE3 MET A 40 12.156 -2.693 -0.974 1.00 41.43 H new ATOM 530 N GLY A 41 13.454 -5.816 -5.544 1.00 22.04 N ATOM 531 CA GLY A 41 13.916 -5.657 -6.907 1.00 33.41 C ATOM 532 C GLY A 41 13.547 -6.796 -7.839 1.00 21.20 C ATOM 533 O GLY A 41 14.421 -7.392 -8.468 1.00 45.04 O ATOM 0 H GLY A 41 14.186 -6.085 -4.887 1.00 22.04 H new ATOM 0 HA2 GLY A 41 13.507 -4.730 -7.309 1.00 33.41 H new ATOM 0 HA3 GLY A 41 15.001 -5.550 -6.898 1.00 33.41 H new ATOM 537 N ALA A 42 12.267 -7.094 -7.936 1.00 62.31 N ATOM 538 CA ALA A 42 11.788 -8.151 -8.828 1.00 53.11 C ATOM 539 C ALA A 42 10.320 -7.941 -9.233 1.00 11.21 C ATOM 540 O ALA A 42 9.693 -8.831 -9.807 1.00 65.13 O ATOM 541 CB ALA A 42 11.960 -9.500 -8.162 1.00 20.51 C ATOM 0 H ALA A 42 11.532 -6.622 -7.410 1.00 62.31 H new ATOM 0 HA ALA A 42 12.384 -8.114 -9.740 1.00 53.11 H new ATOM 0 HB1 ALA A 42 11.602 -10.284 -8.830 1.00 20.51 H new ATOM 0 HB2 ALA A 42 13.015 -9.665 -7.941 1.00 20.51 H new ATOM 0 HB3 ALA A 42 11.387 -9.524 -7.235 1.00 20.51 H new ATOM 547 N GLY A 43 9.787 -6.772 -8.957 1.00 62.02 N ATOM 548 CA GLY A 43 8.395 -6.488 -9.298 1.00 5.13 C ATOM 549 C GLY A 43 8.114 -5.004 -9.303 1.00 30.41 C ATOM 550 O GLY A 43 9.044 -4.215 -9.337 1.00 63.25 O ATOM 0 H GLY A 43 10.282 -6.005 -8.503 1.00 62.02 H new ATOM 0 HA2 GLY A 43 8.168 -6.905 -10.279 1.00 5.13 H new ATOM 0 HA3 GLY A 43 7.737 -6.981 -8.582 1.00 5.13 H new ATOM 554 N ILE A 44 6.830 -4.625 -9.215 1.00 24.12 N ATOM 555 CA ILE A 44 6.387 -3.193 -9.222 1.00 74.21 C ATOM 556 C ILE A 44 7.110 -2.366 -8.140 1.00 44.52 C ATOM 557 O ILE A 44 7.244 -1.151 -8.240 1.00 35.43 O ATOM 558 CB ILE A 44 4.832 -3.065 -9.030 1.00 5.22 C ATOM 559 CG1 ILE A 44 4.385 -1.586 -9.053 1.00 44.44 C ATOM 560 CG2 ILE A 44 4.382 -3.741 -7.735 1.00 53.12 C ATOM 561 CD1 ILE A 44 2.919 -1.366 -8.776 1.00 73.23 C ATOM 0 H ILE A 44 6.060 -5.289 -9.137 1.00 24.12 H new ATOM 0 HA ILE A 44 6.653 -2.794 -10.201 1.00 74.21 H new ATOM 0 HB ILE A 44 4.354 -3.575 -9.866 1.00 5.22 H new ATOM 0 HG12 ILE A 44 4.967 -1.033 -8.316 1.00 44.44 H new ATOM 0 HG13 ILE A 44 4.624 -1.164 -10.029 1.00 44.44 H new ATOM 0 HG21 ILE A 44 3.302 -3.638 -7.627 1.00 53.12 H new ATOM 0 HG22 ILE A 44 4.644 -4.799 -7.767 1.00 53.12 H new ATOM 0 HG23 ILE A 44 4.878 -3.269 -6.887 1.00 53.12 H new ATOM 0 HD11 ILE A 44 2.698 -0.299 -8.813 1.00 73.23 H new ATOM 0 HD12 ILE A 44 2.325 -1.886 -9.527 1.00 73.23 H new ATOM 0 HD13 ILE A 44 2.673 -1.753 -7.787 1.00 73.23 H new ATOM 568 N ALA A 45 7.587 -3.047 -7.132 1.00 12.43 N ATOM 569 CA ALA A 45 8.315 -2.440 -6.058 1.00 54.32 C ATOM 570 C ALA A 45 9.594 -1.724 -6.559 1.00 2.40 C ATOM 571 O ALA A 45 10.079 -0.792 -5.915 1.00 62.32 O ATOM 572 CB ALA A 45 8.596 -3.454 -4.988 1.00 1.45 C ATOM 0 H ALA A 45 7.477 -4.056 -7.036 1.00 12.43 H new ATOM 0 HA ALA A 45 7.696 -1.659 -5.616 1.00 54.32 H new ATOM 0 HB1 ALA A 45 9.150 -2.982 -4.176 1.00 1.45 H new ATOM 0 HB2 ALA A 45 7.655 -3.848 -4.604 1.00 1.45 H new ATOM 0 HB3 ALA A 45 9.188 -4.269 -5.405 1.00 1.45 H new ATOM 578 N VAL A 46 10.134 -2.177 -7.707 1.00 70.51 N ATOM 579 CA VAL A 46 11.298 -1.531 -8.347 1.00 20.43 C ATOM 580 C VAL A 46 10.945 -0.083 -8.691 1.00 73.12 C ATOM 581 O VAL A 46 11.725 0.839 -8.453 1.00 34.42 O ATOM 582 CB VAL A 46 11.695 -2.249 -9.673 1.00 73.31 C ATOM 583 CG1 VAL A 46 12.888 -1.569 -10.330 1.00 3.10 C ATOM 584 CG2 VAL A 46 11.993 -3.713 -9.434 1.00 71.44 C ATOM 0 H VAL A 46 9.782 -2.990 -8.212 1.00 70.51 H new ATOM 0 HA VAL A 46 12.132 -1.584 -7.647 1.00 20.43 H new ATOM 0 HB VAL A 46 10.843 -2.178 -10.350 1.00 73.31 H new ATOM 0 HG11 VAL A 46 13.142 -2.091 -11.252 1.00 3.10 H new ATOM 0 HG12 VAL A 46 12.637 -0.533 -10.557 1.00 3.10 H new ATOM 0 HG13 VAL A 46 13.741 -1.595 -9.652 1.00 3.10 H new ATOM 0 HG21 VAL A 46 12.267 -4.187 -10.377 1.00 71.44 H new ATOM 0 HG22 VAL A 46 12.818 -3.806 -8.728 1.00 71.44 H new ATOM 0 HG23 VAL A 46 11.109 -4.202 -9.025 1.00 71.44 H new ATOM 590 N LEU A 47 9.746 0.092 -9.216 1.00 72.22 N ATOM 591 CA LEU A 47 9.223 1.388 -9.622 1.00 42.40 C ATOM 592 C LEU A 47 9.130 2.328 -8.437 1.00 10.42 C ATOM 593 O LEU A 47 9.293 3.545 -8.581 1.00 11.42 O ATOM 594 CB LEU A 47 7.863 1.192 -10.264 1.00 70.43 C ATOM 595 CG LEU A 47 7.864 0.396 -11.565 1.00 55.52 C ATOM 596 CD1 LEU A 47 6.456 0.014 -11.945 1.00 42.43 C ATOM 597 CD2 LEU A 47 8.466 1.232 -12.666 1.00 10.33 C ATOM 0 H LEU A 47 9.094 -0.676 -9.376 1.00 72.22 H new ATOM 0 HA LEU A 47 9.902 1.841 -10.345 1.00 42.40 H new ATOM 0 HB2 LEU A 47 7.212 0.688 -9.550 1.00 70.43 H new ATOM 0 HB3 LEU A 47 7.426 2.172 -10.457 1.00 70.43 H new ATOM 0 HG LEU A 47 8.453 -0.510 -11.423 1.00 55.52 H new ATOM 0 HD11 LEU A 47 6.472 -0.554 -12.875 1.00 42.43 H new ATOM 0 HD12 LEU A 47 6.019 -0.596 -11.155 1.00 42.43 H new ATOM 0 HD13 LEU A 47 5.858 0.915 -12.080 1.00 42.43 H new ATOM 0 HD21 LEU A 47 8.467 0.663 -13.596 1.00 10.33 H new ATOM 0 HD22 LEU A 47 7.877 2.140 -12.797 1.00 10.33 H new ATOM 0 HD23 LEU A 47 9.490 1.498 -12.403 1.00 10.33 H new ATOM 605 N PHE A 48 8.875 1.763 -7.273 1.00 34.23 N ATOM 606 CA PHE A 48 8.865 2.533 -6.055 1.00 23.41 C ATOM 607 C PHE A 48 10.286 2.869 -5.626 1.00 41.35 C ATOM 608 O PHE A 48 10.555 3.982 -5.280 1.00 41.02 O ATOM 609 CB PHE A 48 8.118 1.822 -4.922 1.00 75.44 C ATOM 610 CG PHE A 48 6.619 1.736 -5.088 1.00 12.31 C ATOM 611 CD1 PHE A 48 6.028 0.673 -5.747 1.00 41.41 C ATOM 612 CD2 PHE A 48 5.796 2.714 -4.547 1.00 43.05 C ATOM 613 CE1 PHE A 48 4.652 0.598 -5.864 1.00 3.32 C ATOM 614 CE2 PHE A 48 4.443 2.632 -4.658 1.00 73.31 C ATOM 615 CZ PHE A 48 3.863 1.587 -5.309 1.00 20.44 C ATOM 0 H PHE A 48 8.672 0.771 -7.150 1.00 34.23 H new ATOM 0 HA PHE A 48 8.327 3.457 -6.264 1.00 23.41 H new ATOM 0 HB2 PHE A 48 8.515 0.811 -4.826 1.00 75.44 H new ATOM 0 HB3 PHE A 48 8.334 2.339 -3.987 1.00 75.44 H new ATOM 0 HD1 PHE A 48 6.645 -0.104 -6.173 1.00 41.41 H new ATOM 0 HD2 PHE A 48 6.237 3.553 -4.030 1.00 43.05 H new ATOM 0 HE1 PHE A 48 4.196 -0.230 -6.387 1.00 3.32 H new ATOM 0 HE2 PHE A 48 3.823 3.403 -4.225 1.00 73.31 H new ATOM 0 HZ PHE A 48 2.788 1.531 -5.392 1.00 20.44 H new ATOM 625 N LYS A 49 11.195 1.894 -5.692 1.00 2.34 N ATOM 626 CA LYS A 49 12.587 2.087 -5.308 1.00 73.20 C ATOM 627 C LYS A 49 13.234 3.241 -6.111 1.00 0.41 C ATOM 628 O LYS A 49 14.030 4.025 -5.580 1.00 61.11 O ATOM 629 CB LYS A 49 13.363 0.816 -5.606 1.00 65.20 C ATOM 630 CG LYS A 49 14.803 0.876 -5.166 1.00 63.22 C ATOM 631 CD LYS A 49 15.624 -0.227 -5.789 1.00 14.12 C ATOM 632 CE LYS A 49 15.169 -1.599 -5.372 1.00 12.00 C ATOM 633 NZ LYS A 49 16.066 -2.652 -5.877 1.00 4.20 N ATOM 0 H LYS A 49 10.983 0.950 -6.014 1.00 2.34 H new ATOM 0 HA LYS A 49 12.616 2.330 -4.246 1.00 73.20 H new ATOM 0 HB2 LYS A 49 12.874 -0.023 -5.111 1.00 65.20 H new ATOM 0 HB3 LYS A 49 13.326 0.620 -6.678 1.00 65.20 H new ATOM 0 HG2 LYS A 49 15.227 1.843 -5.438 1.00 63.22 H new ATOM 0 HG3 LYS A 49 14.855 0.799 -4.080 1.00 63.22 H new ATOM 0 HD2 LYS A 49 15.569 -0.145 -6.875 1.00 14.12 H new ATOM 0 HD3 LYS A 49 16.670 -0.096 -5.512 1.00 14.12 H new ATOM 0 HE2 LYS A 49 15.124 -1.651 -4.284 1.00 12.00 H new ATOM 0 HE3 LYS A 49 14.159 -1.774 -5.742 1.00 12.00 H new ATOM 0 HZ1 LYS A 49 15.718 -3.582 -5.568 1.00 4.20 H new ATOM 0 HZ2 LYS A 49 16.090 -2.619 -6.916 1.00 4.20 H new ATOM 0 HZ3 LYS A 49 17.025 -2.500 -5.504 1.00 4.20 H new ATOM 647 N LYS A 50 12.903 3.315 -7.392 1.00 53.23 N ATOM 648 CA LYS A 50 13.452 4.325 -8.283 1.00 30.05 C ATOM 649 C LYS A 50 12.953 5.720 -7.940 1.00 41.35 C ATOM 650 O LYS A 50 13.701 6.694 -7.994 1.00 1.01 O ATOM 651 CB LYS A 50 13.118 3.982 -9.737 1.00 14.53 C ATOM 652 CG LYS A 50 13.651 2.626 -10.194 1.00 22.44 C ATOM 653 CD LYS A 50 15.162 2.530 -10.039 1.00 65.21 C ATOM 654 CE LYS A 50 15.905 3.510 -10.947 1.00 43.24 C ATOM 655 NZ LYS A 50 15.678 3.229 -12.383 1.00 11.43 N ATOM 0 H LYS A 50 12.247 2.677 -7.842 1.00 53.23 H new ATOM 0 HA LYS A 50 14.534 4.326 -8.152 1.00 30.05 H new ATOM 0 HB2 LYS A 50 12.035 3.997 -9.863 1.00 14.53 H new ATOM 0 HB3 LYS A 50 13.525 4.758 -10.385 1.00 14.53 H new ATOM 0 HG2 LYS A 50 13.175 1.835 -9.615 1.00 22.44 H new ATOM 0 HG3 LYS A 50 13.382 2.463 -11.238 1.00 22.44 H new ATOM 0 HD2 LYS A 50 15.431 2.725 -9.001 1.00 65.21 H new ATOM 0 HD3 LYS A 50 15.484 1.514 -10.266 1.00 65.21 H new ATOM 0 HE2 LYS A 50 15.581 4.526 -10.723 1.00 43.24 H new ATOM 0 HE3 LYS A 50 16.973 3.461 -10.734 1.00 43.24 H new ATOM 0 HZ1 LYS A 50 16.340 3.791 -12.956 1.00 11.43 H new ATOM 0 HZ2 LYS A 50 15.834 2.217 -12.568 1.00 11.43 H new ATOM 0 HZ3 LYS A 50 14.701 3.481 -12.636 1.00 11.43 H new ATOM 669 N LYS A 51 11.703 5.804 -7.592 1.00 41.22 N ATOM 670 CA LYS A 51 11.079 7.085 -7.271 1.00 5.42 C ATOM 671 C LYS A 51 11.266 7.460 -5.811 1.00 43.03 C ATOM 672 O LYS A 51 11.246 8.638 -5.449 1.00 43.23 O ATOM 673 CB LYS A 51 9.592 7.063 -7.607 1.00 51.30 C ATOM 674 CG LYS A 51 9.295 6.854 -9.075 1.00 53.12 C ATOM 675 CD LYS A 51 7.801 6.866 -9.343 1.00 64.33 C ATOM 676 CE LYS A 51 7.515 6.674 -10.818 1.00 14.33 C ATOM 677 NZ LYS A 51 8.031 5.381 -11.313 1.00 50.21 N ATOM 0 H LYS A 51 11.078 5.001 -7.518 1.00 41.22 H new ATOM 0 HA LYS A 51 11.576 7.839 -7.881 1.00 5.42 H new ATOM 0 HB2 LYS A 51 9.112 6.270 -7.034 1.00 51.30 H new ATOM 0 HB3 LYS A 51 9.144 8.004 -7.287 1.00 51.30 H new ATOM 0 HG2 LYS A 51 9.778 7.636 -9.661 1.00 53.12 H new ATOM 0 HG3 LYS A 51 9.718 5.904 -9.402 1.00 53.12 H new ATOM 0 HD2 LYS A 51 7.318 6.075 -8.769 1.00 64.33 H new ATOM 0 HD3 LYS A 51 7.375 7.811 -9.006 1.00 64.33 H new ATOM 0 HE2 LYS A 51 6.440 6.726 -10.990 1.00 14.33 H new ATOM 0 HE3 LYS A 51 7.968 7.487 -11.385 1.00 14.33 H new ATOM 0 HZ1 LYS A 51 7.606 5.169 -12.238 1.00 50.21 H new ATOM 0 HZ2 LYS A 51 9.065 5.434 -11.411 1.00 50.21 H new ATOM 0 HZ3 LYS A 51 7.785 4.628 -10.639 1.00 50.21 H new ATOM 691 N PHE A 52 11.463 6.474 -4.987 1.00 4.01 N ATOM 692 CA PHE A 52 11.525 6.650 -3.591 1.00 11.21 C ATOM 693 C PHE A 52 12.680 5.837 -3.077 1.00 61.04 C ATOM 694 O PHE A 52 12.583 4.611 -2.966 1.00 12.32 O ATOM 695 CB PHE A 52 10.225 6.146 -2.914 1.00 34.10 C ATOM 696 CG PHE A 52 8.941 6.655 -3.529 1.00 11.53 C ATOM 697 CD1 PHE A 52 8.593 7.982 -3.448 1.00 55.21 C ATOM 698 CD2 PHE A 52 8.092 5.789 -4.200 1.00 42.10 C ATOM 699 CE1 PHE A 52 7.424 8.449 -4.015 1.00 10.34 C ATOM 700 CE2 PHE A 52 6.924 6.244 -4.771 1.00 40.15 C ATOM 701 CZ PHE A 52 6.588 7.576 -4.678 1.00 10.42 C ATOM 0 H PHE A 52 11.586 5.507 -5.288 1.00 4.01 H new ATOM 0 HA PHE A 52 11.647 7.709 -3.364 1.00 11.21 H new ATOM 0 HB2 PHE A 52 10.217 5.056 -2.945 1.00 34.10 H new ATOM 0 HB3 PHE A 52 10.246 6.435 -1.863 1.00 34.10 H new ATOM 0 HD1 PHE A 52 9.245 8.671 -2.932 1.00 55.21 H new ATOM 0 HD2 PHE A 52 8.350 4.743 -4.276 1.00 42.10 H new ATOM 0 HE1 PHE A 52 7.165 9.495 -3.939 1.00 10.34 H new ATOM 0 HE2 PHE A 52 6.273 5.557 -5.291 1.00 40.15 H new ATOM 0 HZ PHE A 52 5.672 7.936 -5.123 1.00 10.42 H new ATOM 711 N GLY A 53 13.785 6.499 -2.858 1.00 1.24 N ATOM 712 CA GLY A 53 14.975 5.871 -2.252 1.00 74.01 C ATOM 713 C GLY A 53 14.702 5.414 -0.817 1.00 1.30 C ATOM 714 O GLY A 53 15.208 5.986 0.145 1.00 51.34 O ATOM 0 H GLY A 53 13.906 7.486 -3.086 1.00 1.24 H new ATOM 0 HA2 GLY A 53 15.282 5.016 -2.854 1.00 74.01 H new ATOM 0 HA3 GLY A 53 15.803 6.579 -2.257 1.00 74.01 H new ATOM 718 N GLY A 54 13.887 4.402 -0.707 1.00 55.40 N ATOM 719 CA GLY A 54 13.424 3.876 0.542 1.00 73.54 C ATOM 720 C GLY A 54 14.307 2.853 1.197 1.00 3.21 C ATOM 721 O GLY A 54 14.249 2.698 2.406 1.00 42.04 O ATOM 0 H GLY A 54 13.515 3.904 -1.516 1.00 55.40 H new ATOM 0 HA2 GLY A 54 13.289 4.707 1.235 1.00 73.54 H new ATOM 0 HA3 GLY A 54 12.442 3.430 0.383 1.00 73.54 H new ATOM 725 N VAL A 55 15.120 2.162 0.404 1.00 12.44 N ATOM 726 CA VAL A 55 15.854 0.958 0.856 1.00 74.14 C ATOM 727 C VAL A 55 16.591 1.151 2.197 1.00 40.31 C ATOM 728 O VAL A 55 16.352 0.392 3.135 1.00 53.15 O ATOM 729 CB VAL A 55 16.863 0.471 -0.221 1.00 21.22 C ATOM 730 CG1 VAL A 55 17.563 -0.814 0.218 1.00 4.53 C ATOM 731 CG2 VAL A 55 16.170 0.275 -1.562 1.00 31.44 C ATOM 0 H VAL A 55 15.296 2.410 -0.570 1.00 12.44 H new ATOM 0 HA VAL A 55 15.087 0.199 1.012 1.00 74.14 H new ATOM 0 HB VAL A 55 17.623 1.243 -0.338 1.00 21.22 H new ATOM 0 HG11 VAL A 55 18.263 -1.130 -0.556 1.00 4.53 H new ATOM 0 HG12 VAL A 55 18.106 -0.634 1.146 1.00 4.53 H new ATOM 0 HG13 VAL A 55 16.821 -1.596 0.378 1.00 4.53 H new ATOM 0 HG21 VAL A 55 16.896 -0.066 -2.300 1.00 31.44 H new ATOM 0 HG22 VAL A 55 15.381 -0.470 -1.458 1.00 31.44 H new ATOM 0 HG23 VAL A 55 15.736 1.220 -1.889 1.00 31.44 H new ATOM 737 N GLN A 56 17.424 2.171 2.317 1.00 61.51 N ATOM 738 CA GLN A 56 18.144 2.379 3.566 1.00 73.00 C ATOM 739 C GLN A 56 17.219 2.720 4.713 1.00 32.50 C ATOM 740 O GLN A 56 17.402 2.247 5.836 1.00 54.35 O ATOM 741 CB GLN A 56 19.225 3.417 3.423 1.00 74.42 C ATOM 742 CG GLN A 56 19.871 3.747 4.738 1.00 43.32 C ATOM 743 CD GLN A 56 21.186 4.359 4.564 1.00 61.33 C ATOM 744 OE1 GLN A 56 21.329 5.579 4.465 1.00 23.32 O ATOM 745 NE2 GLN A 56 22.169 3.519 4.529 1.00 5.52 N ATOM 0 H GLN A 56 17.617 2.855 1.585 1.00 61.51 H new ATOM 0 HA GLN A 56 18.621 1.429 3.805 1.00 73.00 H new ATOM 0 HB2 GLN A 56 19.983 3.056 2.728 1.00 74.42 H new ATOM 0 HB3 GLN A 56 18.801 4.323 2.990 1.00 74.42 H new ATOM 0 HG2 GLN A 56 19.227 4.425 5.298 1.00 43.32 H new ATOM 0 HG3 GLN A 56 19.970 2.838 5.331 1.00 43.32 H new ATOM 0 HE21 GLN A 56 21.989 2.519 4.616 1.00 5.52 H new ATOM 0 HE22 GLN A 56 23.125 3.857 4.414 1.00 5.52 H new ATOM 753 N GLU A 57 16.227 3.503 4.423 1.00 4.44 N ATOM 754 CA GLU A 57 15.263 3.928 5.405 1.00 43.53 C ATOM 755 C GLU A 57 14.465 2.742 5.943 1.00 54.34 C ATOM 756 O GLU A 57 14.091 2.712 7.109 1.00 63.24 O ATOM 757 CB GLU A 57 14.362 4.989 4.819 1.00 12.22 C ATOM 758 CG GLU A 57 15.106 6.242 4.400 1.00 61.32 C ATOM 759 CD GLU A 57 15.819 6.903 5.559 1.00 33.42 C ATOM 760 OE1 GLU A 57 15.163 7.670 6.313 1.00 12.12 O ATOM 761 OE2 GLU A 57 17.043 6.684 5.735 1.00 12.41 O ATOM 0 H GLU A 57 16.057 3.873 3.488 1.00 4.44 H new ATOM 0 HA GLU A 57 15.794 4.363 6.252 1.00 43.53 H new ATOM 0 HB2 GLU A 57 13.842 4.577 3.954 1.00 12.22 H new ATOM 0 HB3 GLU A 57 13.600 5.255 5.552 1.00 12.22 H new ATOM 0 HG2 GLU A 57 15.832 5.989 3.627 1.00 61.32 H new ATOM 0 HG3 GLU A 57 14.403 6.948 3.959 1.00 61.32 H new ATOM 768 N LEU A 58 14.219 1.771 5.092 1.00 73.43 N ATOM 769 CA LEU A 58 13.525 0.557 5.488 1.00 63.41 C ATOM 770 C LEU A 58 14.363 -0.224 6.499 1.00 53.25 C ATOM 771 O LEU A 58 13.855 -0.650 7.541 1.00 63.34 O ATOM 772 CB LEU A 58 13.185 -0.290 4.262 1.00 53.24 C ATOM 773 CG LEU A 58 12.283 0.393 3.230 1.00 74.55 C ATOM 774 CD1 LEU A 58 12.021 -0.511 2.052 1.00 22.22 C ATOM 775 CD2 LEU A 58 10.978 0.842 3.860 1.00 54.01 C ATOM 0 H LEU A 58 14.491 1.796 4.109 1.00 73.43 H new ATOM 0 HA LEU A 58 12.585 0.826 5.971 1.00 63.41 H new ATOM 0 HB2 LEU A 58 14.114 -0.582 3.773 1.00 53.24 H new ATOM 0 HB3 LEU A 58 12.699 -1.207 4.596 1.00 53.24 H new ATOM 0 HG LEU A 58 12.808 1.277 2.867 1.00 74.55 H new ATOM 0 HD11 LEU A 58 11.378 0.001 1.336 1.00 22.22 H new ATOM 0 HD12 LEU A 58 12.966 -0.767 1.573 1.00 22.22 H new ATOM 0 HD13 LEU A 58 11.530 -1.422 2.394 1.00 22.22 H new ATOM 0 HD21 LEU A 58 10.356 1.324 3.105 1.00 54.01 H new ATOM 0 HD22 LEU A 58 10.453 -0.023 4.265 1.00 54.01 H new ATOM 0 HD23 LEU A 58 11.186 1.548 4.664 1.00 54.01 H new ATOM 783 N LEU A 59 15.656 -0.373 6.206 1.00 34.54 N ATOM 784 CA LEU A 59 16.585 -1.010 7.140 1.00 44.22 C ATOM 785 C LEU A 59 16.765 -0.170 8.395 1.00 0.14 C ATOM 786 O LEU A 59 17.059 -0.690 9.461 1.00 2.41 O ATOM 787 CB LEU A 59 17.962 -1.340 6.502 1.00 4.24 C ATOM 788 CG LEU A 59 18.027 -2.539 5.525 1.00 62.04 C ATOM 789 CD1 LEU A 59 17.210 -2.322 4.269 1.00 54.22 C ATOM 790 CD2 LEU A 59 19.463 -2.880 5.190 1.00 74.31 C ATOM 0 H LEU A 59 16.082 -0.063 5.333 1.00 34.54 H new ATOM 0 HA LEU A 59 16.131 -1.962 7.415 1.00 44.22 H new ATOM 0 HB2 LEU A 59 18.308 -0.453 5.970 1.00 4.24 H new ATOM 0 HB3 LEU A 59 18.671 -1.525 7.309 1.00 4.24 H new ATOM 0 HG LEU A 59 17.577 -3.388 6.040 1.00 62.04 H new ATOM 0 HD11 LEU A 59 17.295 -3.196 3.624 1.00 54.22 H new ATOM 0 HD12 LEU A 59 16.165 -2.169 4.537 1.00 54.22 H new ATOM 0 HD13 LEU A 59 17.581 -1.444 3.741 1.00 54.22 H new ATOM 0 HD21 LEU A 59 19.485 -3.725 4.502 1.00 74.31 H new ATOM 0 HD22 LEU A 59 19.942 -2.019 4.723 1.00 74.31 H new ATOM 0 HD23 LEU A 59 19.998 -3.141 6.103 1.00 74.31 H new ATOM 798 N ASN A 60 16.598 1.128 8.252 1.00 64.44 N ATOM 799 CA ASN A 60 16.698 2.069 9.370 1.00 61.23 C ATOM 800 C ASN A 60 15.504 1.875 10.321 1.00 32.00 C ATOM 801 O ASN A 60 15.653 1.930 11.542 1.00 24.12 O ATOM 802 CB ASN A 60 16.713 3.514 8.813 1.00 63.21 C ATOM 803 CG ASN A 60 16.937 4.621 9.846 1.00 12.13 C ATOM 804 OD1 ASN A 60 16.597 4.507 11.018 1.00 34.53 O ATOM 805 ND2 ASN A 60 17.497 5.712 9.401 1.00 53.25 N ATOM 0 H ASN A 60 16.388 1.571 7.358 1.00 64.44 H new ATOM 0 HA ASN A 60 17.618 1.888 9.926 1.00 61.23 H new ATOM 0 HB2 ASN A 60 17.495 3.584 8.057 1.00 63.21 H new ATOM 0 HB3 ASN A 60 15.765 3.699 8.309 1.00 63.21 H new ATOM 0 HD21 ASN A 60 17.661 6.495 10.033 1.00 53.25 H new ATOM 0 HD22 ASN A 60 17.771 5.782 8.421 1.00 53.25 H new ATOM 811 N GLN A 61 14.334 1.612 9.753 1.00 53.10 N ATOM 812 CA GLN A 61 13.123 1.404 10.546 1.00 13.23 C ATOM 813 C GLN A 61 13.137 0.056 11.234 1.00 64.43 C ATOM 814 O GLN A 61 12.538 -0.107 12.300 1.00 73.25 O ATOM 815 CB GLN A 61 11.863 1.535 9.690 1.00 63.11 C ATOM 816 CG GLN A 61 11.628 2.923 9.128 1.00 12.43 C ATOM 817 CD GLN A 61 10.363 2.995 8.303 1.00 11.04 C ATOM 818 OE1 GLN A 61 9.284 3.266 8.823 1.00 41.51 O ATOM 819 NE2 GLN A 61 10.479 2.765 7.021 1.00 13.30 N ATOM 0 H GLN A 61 14.195 1.537 8.745 1.00 53.10 H new ATOM 0 HA GLN A 61 13.107 2.184 11.308 1.00 13.23 H new ATOM 0 HB2 GLN A 61 11.925 0.827 8.863 1.00 63.11 H new ATOM 0 HB3 GLN A 61 10.999 1.249 10.290 1.00 63.11 H new ATOM 0 HG2 GLN A 61 11.568 3.640 9.947 1.00 12.43 H new ATOM 0 HG3 GLN A 61 12.479 3.213 8.512 1.00 12.43 H new ATOM 0 HE21 GLN A 61 11.392 2.543 6.623 1.00 13.30 H new ATOM 0 HE22 GLN A 61 9.657 2.808 6.419 1.00 13.30 H new ATOM 827 N GLN A 62 13.827 -0.897 10.607 1.00 11.01 N ATOM 828 CA GLN A 62 13.954 -2.268 11.095 1.00 23.53 C ATOM 829 C GLN A 62 12.607 -2.909 11.300 1.00 63.23 C ATOM 830 O GLN A 62 12.117 -3.036 12.431 1.00 12.30 O ATOM 831 CB GLN A 62 14.808 -2.373 12.363 1.00 13.21 C ATOM 832 CG GLN A 62 16.231 -1.914 12.174 1.00 43.54 C ATOM 833 CD GLN A 62 17.055 -2.048 13.426 1.00 3.44 C ATOM 834 OE1 GLN A 62 17.676 -3.082 13.663 1.00 71.40 O ATOM 835 NE2 GLN A 62 17.078 -1.018 14.228 1.00 1.35 N ATOM 0 H GLN A 62 14.322 -0.734 9.730 1.00 11.01 H new ATOM 0 HA GLN A 62 14.480 -2.819 10.315 1.00 23.53 H new ATOM 0 HB2 GLN A 62 14.346 -1.780 13.152 1.00 13.21 H new ATOM 0 HB3 GLN A 62 14.812 -3.408 12.703 1.00 13.21 H new ATOM 0 HG2 GLN A 62 16.693 -2.495 11.376 1.00 43.54 H new ATOM 0 HG3 GLN A 62 16.233 -0.873 11.852 1.00 43.54 H new ATOM 0 HE21 GLN A 62 16.548 -0.178 13.995 1.00 1.35 H new ATOM 0 HE22 GLN A 62 17.626 -1.053 15.088 1.00 1.35 H new ATOM 843 N LYS A 63 11.980 -3.252 10.229 1.00 0.02 N ATOM 844 CA LYS A 63 10.698 -3.854 10.302 1.00 64.21 C ATOM 845 C LYS A 63 10.746 -5.310 10.015 1.00 63.13 C ATOM 846 O LYS A 63 11.383 -5.753 9.057 1.00 52.10 O ATOM 847 CB LYS A 63 9.653 -3.128 9.463 1.00 64.15 C ATOM 848 CG LYS A 63 9.329 -1.735 9.977 1.00 33.04 C ATOM 849 CD LYS A 63 9.024 -1.813 11.453 1.00 41.31 C ATOM 850 CE LYS A 63 8.437 -0.549 12.009 1.00 25.21 C ATOM 851 NZ LYS A 63 8.226 -0.676 13.471 1.00 61.54 N ATOM 0 H LYS A 63 12.340 -3.123 9.283 1.00 0.02 H new ATOM 0 HA LYS A 63 10.372 -3.750 11.337 1.00 64.21 H new ATOM 0 HB2 LYS A 63 10.010 -3.054 8.436 1.00 64.15 H new ATOM 0 HB3 LYS A 63 8.739 -3.721 9.441 1.00 64.15 H new ATOM 0 HG2 LYS A 63 10.170 -1.064 9.802 1.00 33.04 H new ATOM 0 HG3 LYS A 63 8.476 -1.324 9.438 1.00 33.04 H new ATOM 0 HD2 LYS A 63 8.331 -2.635 11.630 1.00 41.31 H new ATOM 0 HD3 LYS A 63 9.941 -2.047 11.994 1.00 41.31 H new ATOM 0 HE2 LYS A 63 9.102 0.290 11.803 1.00 25.21 H new ATOM 0 HE3 LYS A 63 7.489 -0.333 11.516 1.00 25.21 H new ATOM 0 HZ1 LYS A 63 7.545 0.044 13.787 1.00 61.54 H new ATOM 0 HZ2 LYS A 63 7.855 -1.623 13.687 1.00 61.54 H new ATOM 0 HZ3 LYS A 63 9.130 -0.538 13.966 1.00 61.54 H new ATOM 865 N LYS A 64 10.086 -6.046 10.863 1.00 10.40 N ATOM 866 CA LYS A 64 10.037 -7.471 10.799 1.00 53.11 C ATOM 867 C LYS A 64 8.644 -7.904 10.411 1.00 42.33 C ATOM 868 O LYS A 64 7.736 -7.068 10.339 1.00 3.44 O ATOM 869 CB LYS A 64 10.454 -8.060 12.143 1.00 53.01 C ATOM 870 CG LYS A 64 11.855 -7.643 12.557 1.00 22.31 C ATOM 871 CD LYS A 64 12.206 -8.130 13.943 1.00 75.44 C ATOM 872 CE LYS A 64 13.583 -7.636 14.359 1.00 1.31 C ATOM 873 NZ LYS A 64 13.925 -8.042 15.734 1.00 52.11 N ATOM 0 H LYS A 64 9.553 -5.655 11.640 1.00 10.40 H new ATOM 0 HA LYS A 64 10.732 -7.839 10.044 1.00 53.11 H new ATOM 0 HB2 LYS A 64 9.745 -7.745 12.909 1.00 53.01 H new ATOM 0 HB3 LYS A 64 10.404 -9.148 12.090 1.00 53.01 H new ATOM 0 HG2 LYS A 64 12.576 -8.037 11.841 1.00 22.31 H new ATOM 0 HG3 LYS A 64 11.934 -6.556 12.524 1.00 22.31 H new ATOM 0 HD2 LYS A 64 11.459 -7.780 14.656 1.00 75.44 H new ATOM 0 HD3 LYS A 64 12.184 -9.220 13.967 1.00 75.44 H new ATOM 0 HE2 LYS A 64 14.331 -8.026 13.669 1.00 1.31 H new ATOM 0 HE3 LYS A 64 13.616 -6.549 14.283 1.00 1.31 H new ATOM 0 HZ1 LYS A 64 14.871 -7.685 15.976 1.00 52.11 H new ATOM 0 HZ2 LYS A 64 13.226 -7.649 16.396 1.00 52.11 H new ATOM 0 HZ3 LYS A 64 13.919 -9.080 15.801 1.00 52.11 H new ATOM 887 N SER A 65 8.488 -9.180 10.129 1.00 70.10 N ATOM 888 CA SER A 65 7.220 -9.761 9.695 1.00 40.55 C ATOM 889 C SER A 65 6.022 -9.307 10.554 1.00 73.31 C ATOM 890 O SER A 65 6.050 -9.420 11.794 1.00 64.43 O ATOM 891 CB SER A 65 7.360 -11.281 9.726 1.00 73.35 C ATOM 892 OG SER A 65 7.849 -11.726 10.987 1.00 54.44 O ATOM 0 H SER A 65 9.246 -9.859 10.194 1.00 70.10 H new ATOM 0 HA SER A 65 7.008 -9.410 8.685 1.00 40.55 H new ATOM 0 HB2 SER A 65 6.393 -11.742 9.524 1.00 73.35 H new ATOM 0 HB3 SER A 65 8.038 -11.603 8.936 1.00 73.35 H new ATOM 0 HG SER A 65 7.587 -11.088 11.683 1.00 54.44 H new ATOM 898 N GLY A 66 4.992 -8.782 9.899 1.00 34.12 N ATOM 899 CA GLY A 66 3.800 -8.345 10.606 1.00 24.42 C ATOM 900 C GLY A 66 3.819 -6.860 10.929 1.00 25.33 C ATOM 901 O GLY A 66 2.955 -6.356 11.665 1.00 12.32 O ATOM 0 H GLY A 66 4.961 -8.651 8.888 1.00 34.12 H new ATOM 0 HA2 GLY A 66 2.921 -8.570 10.001 1.00 24.42 H new ATOM 0 HA3 GLY A 66 3.703 -8.912 11.532 1.00 24.42 H new ATOM 905 N GLU A 67 4.804 -6.163 10.409 1.00 72.12 N ATOM 906 CA GLU A 67 4.923 -4.735 10.619 1.00 32.51 C ATOM 907 C GLU A 67 4.825 -3.983 9.319 1.00 22.10 C ATOM 908 O GLU A 67 4.802 -4.581 8.234 1.00 13.14 O ATOM 909 CB GLU A 67 6.219 -4.370 11.324 1.00 14.34 C ATOM 910 CG GLU A 67 6.345 -4.931 12.713 1.00 12.44 C ATOM 911 CD GLU A 67 7.603 -4.487 13.392 1.00 2.31 C ATOM 912 OE1 GLU A 67 7.612 -3.365 13.965 1.00 11.10 O ATOM 913 OE2 GLU A 67 8.602 -5.244 13.366 1.00 24.04 O ATOM 0 H GLU A 67 5.542 -6.566 9.832 1.00 72.12 H new ATOM 0 HA GLU A 67 4.092 -4.445 11.261 1.00 32.51 H new ATOM 0 HB2 GLU A 67 7.058 -4.724 10.724 1.00 14.34 H new ATOM 0 HB3 GLU A 67 6.299 -3.284 11.374 1.00 14.34 H new ATOM 0 HG2 GLU A 67 5.485 -4.621 13.307 1.00 12.44 H new ATOM 0 HG3 GLU A 67 6.325 -6.020 12.666 1.00 12.44 H new ATOM 920 N VAL A 68 4.760 -2.684 9.427 1.00 1.45 N ATOM 921 CA VAL A 68 4.676 -1.829 8.290 1.00 70.04 C ATOM 922 C VAL A 68 5.794 -0.795 8.375 1.00 23.21 C ATOM 923 O VAL A 68 6.129 -0.316 9.463 1.00 43.33 O ATOM 924 CB VAL A 68 3.278 -1.125 8.207 1.00 63.34 C ATOM 925 CG1 VAL A 68 3.031 -0.198 9.395 1.00 33.02 C ATOM 926 CG2 VAL A 68 3.100 -0.380 6.901 1.00 11.53 C ATOM 0 H VAL A 68 4.764 -2.191 10.320 1.00 1.45 H new ATOM 0 HA VAL A 68 4.789 -2.425 7.384 1.00 70.04 H new ATOM 0 HB VAL A 68 2.531 -1.918 8.246 1.00 63.34 H new ATOM 0 HG11 VAL A 68 2.051 0.268 9.295 1.00 33.02 H new ATOM 0 HG12 VAL A 68 3.067 -0.774 10.320 1.00 33.02 H new ATOM 0 HG13 VAL A 68 3.799 0.575 9.419 1.00 33.02 H new ATOM 0 HG21 VAL A 68 2.118 0.094 6.883 1.00 11.53 H new ATOM 0 HG22 VAL A 68 3.873 0.383 6.809 1.00 11.53 H new ATOM 0 HG23 VAL A 68 3.180 -1.080 6.069 1.00 11.53 H new ATOM 932 N ALA A 69 6.401 -0.515 7.271 1.00 64.41 N ATOM 933 CA ALA A 69 7.407 0.497 7.200 1.00 44.01 C ATOM 934 C ALA A 69 6.859 1.631 6.371 1.00 1.42 C ATOM 935 O ALA A 69 6.267 1.398 5.326 1.00 73.41 O ATOM 936 CB ALA A 69 8.685 -0.065 6.595 1.00 50.42 C ATOM 0 H ALA A 69 6.214 -0.984 6.385 1.00 64.41 H new ATOM 0 HA ALA A 69 7.660 0.859 8.197 1.00 44.01 H new ATOM 0 HB1 ALA A 69 9.441 0.719 6.548 1.00 50.42 H new ATOM 0 HB2 ALA A 69 9.050 -0.885 7.213 1.00 50.42 H new ATOM 0 HB3 ALA A 69 8.481 -0.432 5.589 1.00 50.42 H new ATOM 942 N VAL A 70 7.021 2.836 6.828 1.00 53.24 N ATOM 943 CA VAL A 70 6.455 3.964 6.130 1.00 43.20 C ATOM 944 C VAL A 70 7.464 5.083 5.962 1.00 31.23 C ATOM 945 O VAL A 70 8.267 5.357 6.853 1.00 3.40 O ATOM 946 CB VAL A 70 5.151 4.464 6.820 1.00 13.13 C ATOM 947 CG1 VAL A 70 5.388 4.817 8.281 1.00 22.41 C ATOM 948 CG2 VAL A 70 4.534 5.640 6.077 1.00 24.24 C ATOM 0 H VAL A 70 7.537 3.069 7.677 1.00 53.24 H new ATOM 0 HA VAL A 70 6.184 3.625 5.130 1.00 43.20 H new ATOM 0 HB VAL A 70 4.441 3.638 6.785 1.00 13.13 H new ATOM 0 HG11 VAL A 70 4.455 5.162 8.728 1.00 22.41 H new ATOM 0 HG12 VAL A 70 5.743 3.936 8.815 1.00 22.41 H new ATOM 0 HG13 VAL A 70 6.136 5.607 8.348 1.00 22.41 H new ATOM 0 HG21 VAL A 70 3.627 5.959 6.590 1.00 24.24 H new ATOM 0 HG22 VAL A 70 5.245 6.466 6.049 1.00 24.24 H new ATOM 0 HG23 VAL A 70 4.288 5.339 5.059 1.00 24.24 H new ATOM 954 N LEU A 71 7.441 5.690 4.809 1.00 33.24 N ATOM 955 CA LEU A 71 8.335 6.767 4.492 1.00 12.40 C ATOM 956 C LEU A 71 7.512 7.953 4.045 1.00 25.43 C ATOM 957 O LEU A 71 6.468 7.766 3.403 1.00 10.10 O ATOM 958 CB LEU A 71 9.215 6.353 3.318 1.00 44.03 C ATOM 959 CG LEU A 71 9.965 5.033 3.445 1.00 74.43 C ATOM 960 CD1 LEU A 71 10.722 4.758 2.179 1.00 4.34 C ATOM 961 CD2 LEU A 71 10.911 5.045 4.624 1.00 42.15 C ATOM 0 H LEU A 71 6.796 5.449 4.057 1.00 33.24 H new ATOM 0 HA LEU A 71 8.943 7.011 5.363 1.00 12.40 H new ATOM 0 HB2 LEU A 71 8.589 6.302 2.427 1.00 44.03 H new ATOM 0 HB3 LEU A 71 9.947 7.143 3.149 1.00 44.03 H new ATOM 0 HG LEU A 71 9.235 4.242 3.613 1.00 74.43 H new ATOM 0 HD11 LEU A 71 11.257 3.813 2.273 1.00 4.34 H new ATOM 0 HD12 LEU A 71 10.024 4.698 1.344 1.00 4.34 H new ATOM 0 HD13 LEU A 71 11.435 5.563 1.999 1.00 4.34 H new ATOM 0 HD21 LEU A 71 11.429 4.088 4.684 1.00 42.15 H new ATOM 0 HD22 LEU A 71 11.640 5.845 4.497 1.00 42.15 H new ATOM 0 HD23 LEU A 71 10.347 5.211 5.542 1.00 42.15 H new ATOM 969 N LYS A 72 7.934 9.152 4.380 1.00 31.32 N ATOM 970 CA LYS A 72 7.271 10.300 3.849 1.00 74.44 C ATOM 971 C LYS A 72 8.033 10.725 2.609 1.00 23.54 C ATOM 972 O LYS A 72 9.178 11.165 2.686 1.00 22.33 O ATOM 973 CB LYS A 72 7.211 11.444 4.856 1.00 3.24 C ATOM 974 CG LYS A 72 6.415 12.662 4.371 1.00 2.11 C ATOM 975 CD LYS A 72 6.345 13.736 5.445 1.00 71.42 C ATOM 976 CE LYS A 72 5.602 14.989 4.974 1.00 4.14 C ATOM 977 NZ LYS A 72 4.162 14.749 4.671 1.00 34.41 N ATOM 0 H LYS A 72 8.717 9.346 5.005 1.00 31.32 H new ATOM 0 HA LYS A 72 6.238 10.048 3.610 1.00 74.44 H new ATOM 0 HB2 LYS A 72 6.766 11.077 5.781 1.00 3.24 H new ATOM 0 HB3 LYS A 72 8.227 11.758 5.094 1.00 3.24 H new ATOM 0 HG2 LYS A 72 6.881 13.071 3.474 1.00 2.11 H new ATOM 0 HG3 LYS A 72 5.407 12.354 4.094 1.00 2.11 H new ATOM 0 HD2 LYS A 72 5.847 13.332 6.326 1.00 71.42 H new ATOM 0 HD3 LYS A 72 7.356 14.009 5.747 1.00 71.42 H new ATOM 0 HE2 LYS A 72 5.680 15.758 5.742 1.00 4.14 H new ATOM 0 HE3 LYS A 72 6.093 15.379 4.082 1.00 4.14 H new ATOM 0 HZ1 LYS A 72 3.991 14.900 3.656 1.00 34.41 H new ATOM 0 HZ2 LYS A 72 3.913 13.771 4.923 1.00 34.41 H new ATOM 0 HZ3 LYS A 72 3.577 15.409 5.222 1.00 34.41 H new ATOM 991 N ARG A 73 7.414 10.575 1.492 1.00 5.32 N ATOM 992 CA ARG A 73 8.022 10.854 0.199 1.00 1.22 C ATOM 993 C ARG A 73 7.011 11.565 -0.653 1.00 10.34 C ATOM 994 O ARG A 73 5.834 11.255 -0.560 1.00 63.14 O ATOM 995 CB ARG A 73 8.390 9.547 -0.505 1.00 1.40 C ATOM 996 CG ARG A 73 9.349 8.624 0.238 1.00 42.23 C ATOM 997 CD ARG A 73 10.719 9.247 0.440 1.00 73.41 C ATOM 998 NE ARG A 73 11.384 9.581 -0.832 1.00 52.55 N ATOM 999 CZ ARG A 73 12.709 9.564 -1.018 1.00 32.14 C ATOM 1000 NH1 ARG A 73 13.508 9.121 -0.061 1.00 21.40 N ATOM 1001 NH2 ARG A 73 13.229 9.966 -2.167 1.00 64.44 N ATOM 0 H ARG A 73 6.450 10.249 1.429 1.00 5.32 H new ATOM 0 HA ARG A 73 8.918 11.457 0.346 1.00 1.22 H new ATOM 0 HB2 ARG A 73 7.471 8.996 -0.705 1.00 1.40 H new ATOM 0 HB3 ARG A 73 8.831 9.792 -1.471 1.00 1.40 H new ATOM 0 HG2 ARG A 73 8.923 8.369 1.208 1.00 42.23 H new ATOM 0 HG3 ARG A 73 9.456 7.693 -0.318 1.00 42.23 H new ATOM 0 HD2 ARG A 73 10.618 10.151 1.041 1.00 73.41 H new ATOM 0 HD3 ARG A 73 11.348 8.558 1.004 1.00 73.41 H new ATOM 0 HE ARG A 73 10.795 9.842 -1.623 1.00 52.55 H new ATOM 0 HH11 ARG A 73 13.114 8.792 0.820 1.00 21.40 H new ATOM 0 HH12 ARG A 73 14.518 9.109 -0.205 1.00 21.40 H new ATOM 0 HH21 ARG A 73 12.619 10.291 -2.917 1.00 64.44 H new ATOM 0 HH22 ARG A 73 14.240 9.951 -2.302 1.00 64.44 H new ATOM 1013 N ASP A 74 7.453 12.524 -1.472 1.00 30.22 N ATOM 1014 CA ASP A 74 6.541 13.280 -2.379 1.00 24.32 C ATOM 1015 C ASP A 74 5.461 13.985 -1.522 1.00 13.31 C ATOM 1016 O ASP A 74 4.348 14.278 -1.958 1.00 53.41 O ATOM 1017 CB ASP A 74 5.937 12.270 -3.416 1.00 1.53 C ATOM 1018 CG ASP A 74 5.015 12.861 -4.479 1.00 11.54 C ATOM 1019 OD1 ASP A 74 5.448 13.763 -5.235 1.00 11.15 O ATOM 1020 OD2 ASP A 74 3.882 12.349 -4.644 1.00 64.45 O ATOM 0 H ASP A 74 8.431 12.805 -1.536 1.00 30.22 H new ATOM 0 HA ASP A 74 7.066 14.055 -2.937 1.00 24.32 H new ATOM 0 HB2 ASP A 74 6.760 11.764 -3.920 1.00 1.53 H new ATOM 0 HB3 ASP A 74 5.383 11.508 -2.868 1.00 1.53 H new ATOM 1025 N GLY A 75 5.869 14.308 -0.283 1.00 15.22 N ATOM 1026 CA GLY A 75 5.015 14.956 0.697 1.00 50.03 C ATOM 1027 C GLY A 75 3.916 14.047 1.238 1.00 31.22 C ATOM 1028 O GLY A 75 3.048 14.494 1.982 1.00 11.53 O ATOM 0 H GLY A 75 6.812 14.120 0.058 1.00 15.22 H new ATOM 0 HA2 GLY A 75 5.628 15.306 1.527 1.00 50.03 H new ATOM 0 HA3 GLY A 75 4.558 15.836 0.245 1.00 50.03 H new ATOM 1032 N ARG A 76 3.970 12.787 0.899 1.00 4.03 N ATOM 1033 CA ARG A 76 2.953 11.830 1.282 1.00 71.42 C ATOM 1034 C ARG A 76 3.564 10.560 1.844 1.00 73.33 C ATOM 1035 O ARG A 76 4.770 10.421 1.873 1.00 31.10 O ATOM 1036 CB ARG A 76 2.044 11.538 0.111 1.00 22.43 C ATOM 1037 CG ARG A 76 2.750 11.060 -1.142 1.00 1.33 C ATOM 1038 CD ARG A 76 1.745 10.848 -2.224 1.00 44.54 C ATOM 1039 NE ARG A 76 2.316 10.397 -3.476 1.00 70.43 N ATOM 1040 CZ ARG A 76 1.760 9.459 -4.239 1.00 64.23 C ATOM 1041 NH1 ARG A 76 0.666 8.825 -3.821 1.00 65.55 N ATOM 1042 NH2 ARG A 76 2.293 9.158 -5.403 1.00 54.43 N ATOM 0 H ARG A 76 4.726 12.387 0.344 1.00 4.03 H new ATOM 0 HA ARG A 76 2.353 12.270 2.079 1.00 71.42 H new ATOM 0 HB2 ARG A 76 1.319 10.782 0.413 1.00 22.43 H new ATOM 0 HB3 ARG A 76 1.482 12.441 -0.128 1.00 22.43 H new ATOM 0 HG2 ARG A 76 3.492 11.794 -1.458 1.00 1.33 H new ATOM 0 HG3 ARG A 76 3.285 10.132 -0.940 1.00 1.33 H new ATOM 0 HD2 ARG A 76 1.011 10.116 -1.886 1.00 44.54 H new ATOM 0 HD3 ARG A 76 1.209 11.781 -2.396 1.00 44.54 H new ATOM 0 HE ARG A 76 3.190 10.820 -3.789 1.00 70.43 H new ATOM 0 HH11 ARG A 76 0.255 9.059 -2.917 1.00 65.55 H new ATOM 0 HH12 ARG A 76 0.239 8.106 -4.405 1.00 65.55 H new ATOM 0 HH21 ARG A 76 3.132 9.643 -5.721 1.00 54.43 H new ATOM 0 HH22 ARG A 76 1.867 8.439 -5.988 1.00 54.43 H new ATOM 1054 N TYR A 77 2.748 9.670 2.328 1.00 60.03 N ATOM 1055 CA TYR A 77 3.250 8.453 2.914 1.00 0.33 C ATOM 1056 C TYR A 77 3.254 7.272 1.969 1.00 71.02 C ATOM 1057 O TYR A 77 2.360 7.114 1.132 1.00 50.11 O ATOM 1058 CB TYR A 77 2.544 8.132 4.218 1.00 23.31 C ATOM 1059 CG TYR A 77 2.912 9.098 5.303 1.00 74.25 C ATOM 1060 CD1 TYR A 77 4.210 9.150 5.754 1.00 15.32 C ATOM 1061 CD2 TYR A 77 1.986 9.964 5.866 1.00 2.30 C ATOM 1062 CE1 TYR A 77 4.596 10.015 6.725 1.00 22.20 C ATOM 1063 CE2 TYR A 77 2.362 10.850 6.859 1.00 33.20 C ATOM 1064 CZ TYR A 77 3.675 10.871 7.284 1.00 52.05 C ATOM 1065 OH TYR A 77 4.061 11.741 8.285 1.00 60.15 O ATOM 0 H TYR A 77 1.732 9.760 2.331 1.00 60.03 H new ATOM 0 HA TYR A 77 4.300 8.644 3.137 1.00 0.33 H new ATOM 0 HB2 TYR A 77 1.465 8.154 4.062 1.00 23.31 H new ATOM 0 HB3 TYR A 77 2.800 7.120 4.530 1.00 23.31 H new ATOM 0 HD1 TYR A 77 4.943 8.484 5.323 1.00 15.32 H new ATOM 0 HD2 TYR A 77 0.961 9.946 5.525 1.00 2.30 H new ATOM 0 HE1 TYR A 77 5.623 10.032 7.058 1.00 22.20 H new ATOM 0 HE2 TYR A 77 1.636 11.519 7.297 1.00 33.20 H new ATOM 0 HH TYR A 77 3.290 12.276 8.569 1.00 60.15 H new ATOM 1075 N ILE A 78 4.276 6.459 2.103 1.00 31.11 N ATOM 1076 CA ILE A 78 4.454 5.278 1.295 1.00 53.51 C ATOM 1077 C ILE A 78 4.565 4.097 2.248 1.00 44.33 C ATOM 1078 O ILE A 78 5.450 4.078 3.111 1.00 3.43 O ATOM 1079 CB ILE A 78 5.756 5.363 0.431 1.00 5.14 C ATOM 1080 CG1 ILE A 78 5.801 6.665 -0.406 1.00 50.45 C ATOM 1081 CG2 ILE A 78 5.878 4.142 -0.483 1.00 43.14 C ATOM 1082 CD1 ILE A 78 4.663 6.829 -1.396 1.00 0.34 C ATOM 0 H ILE A 78 5.018 6.603 2.788 1.00 31.11 H new ATOM 0 HA ILE A 78 3.612 5.173 0.611 1.00 53.51 H new ATOM 0 HB ILE A 78 6.603 5.376 1.117 1.00 5.14 H new ATOM 0 HG12 ILE A 78 5.797 7.517 0.274 1.00 50.45 H new ATOM 0 HG13 ILE A 78 6.744 6.697 -0.951 1.00 50.45 H new ATOM 0 HG21 ILE A 78 6.790 4.220 -1.075 1.00 43.14 H new ATOM 0 HG22 ILE A 78 5.915 3.236 0.123 1.00 43.14 H new ATOM 0 HG23 ILE A 78 5.016 4.098 -1.148 1.00 43.14 H new ATOM 0 HD11 ILE A 78 4.782 7.770 -1.934 1.00 0.34 H new ATOM 0 HD12 ILE A 78 4.675 6.001 -2.105 1.00 0.34 H new ATOM 0 HD13 ILE A 78 3.713 6.834 -0.861 1.00 0.34 H new ATOM 1089 N TYR A 79 3.676 3.147 2.109 1.00 13.23 N ATOM 1090 CA TYR A 79 3.613 2.015 3.007 1.00 71.22 C ATOM 1091 C TYR A 79 4.258 0.779 2.432 1.00 62.53 C ATOM 1092 O TYR A 79 4.031 0.406 1.262 1.00 64.22 O ATOM 1093 CB TYR A 79 2.170 1.699 3.391 1.00 23.25 C ATOM 1094 CG TYR A 79 1.472 2.803 4.128 1.00 12.20 C ATOM 1095 CD1 TYR A 79 1.622 2.934 5.493 1.00 73.24 C ATOM 1096 CD2 TYR A 79 0.665 3.716 3.462 1.00 4.33 C ATOM 1097 CE1 TYR A 79 0.990 3.935 6.179 1.00 40.13 C ATOM 1098 CE2 TYR A 79 0.027 4.727 4.145 1.00 51.54 C ATOM 1099 CZ TYR A 79 0.196 4.830 5.506 1.00 54.32 C ATOM 1100 OH TYR A 79 -0.434 5.834 6.207 1.00 21.33 O ATOM 0 H TYR A 79 2.973 3.134 1.370 1.00 13.23 H new ATOM 0 HA TYR A 79 4.174 2.304 3.896 1.00 71.22 H new ATOM 0 HB2 TYR A 79 1.607 1.470 2.486 1.00 23.25 H new ATOM 0 HB3 TYR A 79 2.159 0.801 4.009 1.00 23.25 H new ATOM 0 HD1 TYR A 79 2.248 2.236 6.028 1.00 73.24 H new ATOM 0 HD2 TYR A 79 0.536 3.632 2.393 1.00 4.33 H new ATOM 0 HE1 TYR A 79 1.116 4.021 7.248 1.00 40.13 H new ATOM 0 HE2 TYR A 79 -0.599 5.431 3.618 1.00 51.54 H new ATOM 0 HH TYR A 79 -1.236 5.476 6.641 1.00 21.33 H new ATOM 1110 N TYR A 80 5.056 0.158 3.243 1.00 73.51 N ATOM 1111 CA TYR A 80 5.697 -1.079 2.932 1.00 44.33 C ATOM 1112 C TYR A 80 5.255 -2.128 3.922 1.00 11.23 C ATOM 1113 O TYR A 80 5.636 -2.087 5.095 1.00 2.22 O ATOM 1114 CB TYR A 80 7.217 -0.925 2.970 1.00 31.54 C ATOM 1115 CG TYR A 80 7.760 -0.006 1.911 1.00 72.41 C ATOM 1116 CD1 TYR A 80 7.882 1.362 2.129 1.00 14.21 C ATOM 1117 CD2 TYR A 80 8.138 -0.507 0.688 1.00 71.21 C ATOM 1118 CE1 TYR A 80 8.371 2.190 1.144 1.00 20.32 C ATOM 1119 CE2 TYR A 80 8.625 0.307 -0.296 1.00 4.15 C ATOM 1120 CZ TYR A 80 8.741 1.654 -0.069 1.00 43.44 C ATOM 1121 OH TYR A 80 9.214 2.467 -1.066 1.00 43.12 O ATOM 0 H TYR A 80 5.286 0.511 4.172 1.00 73.51 H new ATOM 0 HA TYR A 80 5.414 -1.384 1.924 1.00 44.33 H new ATOM 0 HB2 TYR A 80 7.510 -0.549 3.950 1.00 31.54 H new ATOM 0 HB3 TYR A 80 7.675 -1.907 2.856 1.00 31.54 H new ATOM 0 HD1 TYR A 80 7.590 1.779 3.081 1.00 14.21 H new ATOM 0 HD2 TYR A 80 8.048 -1.567 0.501 1.00 71.21 H new ATOM 0 HE1 TYR A 80 8.464 3.251 1.321 1.00 20.32 H new ATOM 0 HE2 TYR A 80 8.917 -0.109 -1.249 1.00 4.15 H new ATOM 0 HH TYR A 80 9.430 1.926 -1.854 1.00 43.12 H new ATOM 1131 N LEU A 81 4.427 -3.022 3.468 1.00 74.01 N ATOM 1132 CA LEU A 81 3.927 -4.097 4.292 1.00 55.34 C ATOM 1133 C LEU A 81 4.979 -5.187 4.337 1.00 23.41 C ATOM 1134 O LEU A 81 5.321 -5.757 3.301 1.00 14.30 O ATOM 1135 CB LEU A 81 2.633 -4.644 3.686 1.00 32.44 C ATOM 1136 CG LEU A 81 1.501 -3.626 3.475 1.00 10.42 C ATOM 1137 CD1 LEU A 81 0.366 -4.266 2.714 1.00 61.21 C ATOM 1138 CD2 LEU A 81 0.994 -3.082 4.810 1.00 51.30 C ATOM 0 H LEU A 81 4.074 -3.031 2.511 1.00 74.01 H new ATOM 0 HA LEU A 81 3.718 -3.740 5.300 1.00 55.34 H new ATOM 0 HB2 LEU A 81 2.870 -5.098 2.724 1.00 32.44 H new ATOM 0 HB3 LEU A 81 2.262 -5.440 4.331 1.00 32.44 H new ATOM 0 HG LEU A 81 1.898 -2.792 2.896 1.00 10.42 H new ATOM 0 HD11 LEU A 81 -0.432 -3.537 2.569 1.00 61.21 H new ATOM 0 HD12 LEU A 81 0.726 -4.608 1.744 1.00 61.21 H new ATOM 0 HD13 LEU A 81 -0.017 -5.116 3.279 1.00 61.21 H new ATOM 0 HD21 LEU A 81 0.194 -2.364 4.630 1.00 51.30 H new ATOM 0 HD22 LEU A 81 0.615 -3.904 5.417 1.00 51.30 H new ATOM 0 HD23 LEU A 81 1.812 -2.589 5.336 1.00 51.30 H new ATOM 1146 N ILE A 82 5.499 -5.450 5.515 1.00 64.45 N ATOM 1147 CA ILE A 82 6.564 -6.416 5.686 1.00 64.11 C ATOM 1148 C ILE A 82 5.988 -7.810 5.955 1.00 54.23 C ATOM 1149 O ILE A 82 5.436 -8.074 7.036 1.00 32.52 O ATOM 1150 CB ILE A 82 7.506 -6.004 6.848 1.00 53.32 C ATOM 1151 CG1 ILE A 82 8.068 -4.582 6.626 1.00 64.23 C ATOM 1152 CG2 ILE A 82 8.638 -7.004 7.007 1.00 31.25 C ATOM 1153 CD1 ILE A 82 8.877 -4.408 5.353 1.00 14.42 C ATOM 0 H ILE A 82 5.197 -5.002 6.380 1.00 64.45 H new ATOM 0 HA ILE A 82 7.142 -6.442 4.762 1.00 64.11 H new ATOM 0 HB ILE A 82 6.920 -6.000 7.767 1.00 53.32 H new ATOM 0 HG12 ILE A 82 7.237 -3.877 6.611 1.00 64.23 H new ATOM 0 HG13 ILE A 82 8.695 -4.318 7.477 1.00 64.23 H new ATOM 0 HG21 ILE A 82 9.285 -6.694 7.828 1.00 31.25 H new ATOM 0 HG22 ILE A 82 8.225 -7.989 7.223 1.00 31.25 H new ATOM 0 HG23 ILE A 82 9.217 -7.047 6.085 1.00 31.25 H new ATOM 0 HD11 ILE A 82 9.229 -3.379 5.284 1.00 14.42 H new ATOM 0 HD12 ILE A 82 9.732 -5.084 5.370 1.00 14.42 H new ATOM 0 HD13 ILE A 82 8.251 -4.636 4.490 1.00 14.42 H new ATOM 1160 N THR A 83 6.127 -8.680 4.976 1.00 34.41 N ATOM 1161 CA THR A 83 5.596 -10.027 5.049 1.00 42.03 C ATOM 1162 C THR A 83 6.395 -10.989 5.913 1.00 34.03 C ATOM 1163 O THR A 83 6.062 -11.197 7.060 1.00 2.10 O ATOM 1164 CB THR A 83 5.376 -10.612 3.668 1.00 13.51 C ATOM 1165 OG1 THR A 83 6.531 -10.344 2.833 1.00 33.05 O ATOM 1166 CG2 THR A 83 4.125 -10.045 3.057 1.00 62.15 C ATOM 0 H THR A 83 6.613 -8.473 4.104 1.00 34.41 H new ATOM 0 HA THR A 83 4.637 -9.912 5.554 1.00 42.03 H new ATOM 0 HB THR A 83 5.251 -11.692 3.749 1.00 13.51 H new ATOM 0 HG1 THR A 83 6.574 -9.386 2.632 1.00 33.05 H new ATOM 0 HG21 THR A 83 3.978 -10.473 2.065 1.00 62.15 H new ATOM 0 HG22 THR A 83 3.270 -10.288 3.687 1.00 62.15 H new ATOM 0 HG23 THR A 83 4.219 -8.962 2.975 1.00 62.15 H new ATOM 1172 N LYS A 84 7.437 -11.574 5.368 1.00 2.40 N ATOM 1173 CA LYS A 84 8.200 -12.531 6.119 1.00 51.50 C ATOM 1174 C LYS A 84 9.677 -12.203 5.973 1.00 31.41 C ATOM 1175 O LYS A 84 10.011 -11.233 5.293 1.00 5.14 O ATOM 1176 CB LYS A 84 7.853 -13.968 5.657 1.00 5.14 C ATOM 1177 CG LYS A 84 8.305 -15.082 6.612 1.00 20.03 C ATOM 1178 CD LYS A 84 7.737 -14.861 8.017 1.00 53.23 C ATOM 1179 CE LYS A 84 8.186 -15.922 9.008 1.00 2.43 C ATOM 1180 NZ LYS A 84 7.730 -17.271 8.636 1.00 34.00 N ATOM 0 H LYS A 84 7.769 -11.404 4.419 1.00 2.40 H new ATOM 0 HA LYS A 84 7.950 -12.478 7.179 1.00 51.50 H new ATOM 0 HB2 LYS A 84 6.774 -14.040 5.523 1.00 5.14 H new ATOM 0 HB3 LYS A 84 8.307 -14.140 4.681 1.00 5.14 H new ATOM 0 HG2 LYS A 84 7.977 -16.049 6.231 1.00 20.03 H new ATOM 0 HG3 LYS A 84 9.394 -15.110 6.656 1.00 20.03 H new ATOM 0 HD2 LYS A 84 8.045 -13.880 8.378 1.00 53.23 H new ATOM 0 HD3 LYS A 84 6.648 -14.855 7.967 1.00 53.23 H new ATOM 0 HE2 LYS A 84 9.274 -15.915 9.074 1.00 2.43 H new ATOM 0 HE3 LYS A 84 7.805 -15.674 9.999 1.00 2.43 H new ATOM 0 HZ1 LYS A 84 7.959 -17.938 9.401 1.00 34.00 H new ATOM 0 HZ2 LYS A 84 6.701 -17.260 8.483 1.00 34.00 H new ATOM 0 HZ3 LYS A 84 8.207 -17.570 7.762 1.00 34.00 H new ATOM 1194 N LYS A 85 10.553 -13.007 6.580 1.00 65.14 N ATOM 1195 CA LYS A 85 11.976 -12.720 6.633 1.00 30.35 C ATOM 1196 C LYS A 85 12.631 -12.507 5.273 1.00 35.20 C ATOM 1197 O LYS A 85 13.328 -11.524 5.097 1.00 10.23 O ATOM 1198 CB LYS A 85 12.722 -13.788 7.439 1.00 14.31 C ATOM 1199 CG LYS A 85 14.236 -13.580 7.468 1.00 61.32 C ATOM 1200 CD LYS A 85 14.930 -14.496 8.450 1.00 0.14 C ATOM 1201 CE LYS A 85 14.510 -14.161 9.870 1.00 14.34 C ATOM 1202 NZ LYS A 85 14.796 -12.737 10.209 1.00 72.53 N ATOM 0 H LYS A 85 10.289 -13.874 7.047 1.00 65.14 H new ATOM 0 HA LYS A 85 12.056 -11.761 7.144 1.00 30.35 H new ATOM 0 HB2 LYS A 85 12.344 -13.791 8.461 1.00 14.31 H new ATOM 0 HB3 LYS A 85 12.506 -14.769 7.016 1.00 14.31 H new ATOM 0 HG2 LYS A 85 14.641 -13.749 6.470 1.00 61.32 H new ATOM 0 HG3 LYS A 85 14.452 -12.544 7.728 1.00 61.32 H new ATOM 0 HD2 LYS A 85 14.684 -15.534 8.226 1.00 0.14 H new ATOM 0 HD3 LYS A 85 16.011 -14.396 8.350 1.00 0.14 H new ATOM 0 HE2 LYS A 85 13.444 -14.357 9.990 1.00 14.34 H new ATOM 0 HE3 LYS A 85 15.034 -14.814 10.568 1.00 14.34 H new ATOM 0 HZ1 LYS A 85 14.805 -12.621 11.243 1.00 72.53 H new ATOM 0 HZ2 LYS A 85 15.723 -12.467 9.822 1.00 72.53 H new ATOM 0 HZ3 LYS A 85 14.059 -12.128 9.799 1.00 72.53 H new ATOM 1216 N ARG A 86 12.402 -13.378 4.303 1.00 73.14 N ATOM 1217 CA ARG A 86 13.043 -13.157 3.008 1.00 3.53 C ATOM 1218 C ARG A 86 12.114 -13.410 1.853 1.00 42.10 C ATOM 1219 O ARG A 86 11.113 -14.109 1.995 1.00 10.02 O ATOM 1220 CB ARG A 86 14.377 -13.903 2.819 1.00 33.12 C ATOM 1221 CG ARG A 86 15.434 -13.631 3.885 1.00 3.45 C ATOM 1222 CD ARG A 86 16.809 -14.070 3.437 1.00 52.44 C ATOM 1223 NE ARG A 86 17.291 -13.267 2.300 1.00 62.12 N ATOM 1224 CZ ARG A 86 18.037 -13.716 1.291 1.00 0.21 C ATOM 1225 NH1 ARG A 86 18.376 -15.003 1.215 1.00 51.04 N ATOM 1226 NH2 ARG A 86 18.437 -12.871 0.356 1.00 1.54 N ATOM 0 H ARG A 86 11.809 -14.205 4.374 1.00 73.14 H new ATOM 0 HA ARG A 86 13.294 -12.096 3.014 1.00 3.53 H new ATOM 0 HB2 ARG A 86 14.175 -14.974 2.796 1.00 33.12 H new ATOM 0 HB3 ARG A 86 14.789 -13.635 1.846 1.00 33.12 H new ATOM 0 HG2 ARG A 86 15.450 -12.566 4.117 1.00 3.45 H new ATOM 0 HG3 ARG A 86 15.167 -14.154 4.803 1.00 3.45 H new ATOM 0 HD2 ARG A 86 17.509 -13.981 4.268 1.00 52.44 H new ATOM 0 HD3 ARG A 86 16.781 -15.122 3.154 1.00 52.44 H new ATOM 0 HE ARG A 86 17.031 -12.281 2.283 1.00 62.12 H new ATOM 0 HH11 ARG A 86 18.064 -15.656 1.934 1.00 51.04 H new ATOM 0 HH12 ARG A 86 18.947 -15.335 0.438 1.00 51.04 H new ATOM 0 HH21 ARG A 86 18.174 -11.887 0.412 1.00 1.54 H new ATOM 0 HH22 ARG A 86 19.008 -13.203 -0.421 1.00 1.54 H new ATOM 1238 N ALA A 87 12.484 -12.859 0.700 1.00 20.04 N ATOM 1239 CA ALA A 87 11.672 -12.891 -0.521 1.00 62.21 C ATOM 1240 C ALA A 87 11.437 -14.308 -1.054 1.00 33.32 C ATOM 1241 O ALA A 87 10.387 -14.592 -1.629 1.00 35.33 O ATOM 1242 CB ALA A 87 12.314 -12.018 -1.593 1.00 35.33 C ATOM 0 H ALA A 87 13.371 -12.369 0.582 1.00 20.04 H new ATOM 0 HA ALA A 87 10.690 -12.496 -0.260 1.00 62.21 H new ATOM 0 HB1 ALA A 87 11.706 -12.046 -2.497 1.00 35.33 H new ATOM 0 HB2 ALA A 87 12.382 -10.991 -1.233 1.00 35.33 H new ATOM 0 HB3 ALA A 87 13.313 -12.392 -1.816 1.00 35.33 H new ATOM 1248 N SER A 88 12.391 -15.199 -0.846 1.00 1.31 N ATOM 1249 CA SER A 88 12.271 -16.561 -1.346 1.00 43.24 C ATOM 1250 C SER A 88 11.429 -17.434 -0.383 1.00 3.23 C ATOM 1251 O SER A 88 11.359 -18.655 -0.527 1.00 32.15 O ATOM 1252 CB SER A 88 13.663 -17.168 -1.595 1.00 63.12 C ATOM 1253 OG SER A 88 13.592 -18.412 -2.294 1.00 43.33 O ATOM 0 H SER A 88 13.254 -15.007 -0.337 1.00 1.31 H new ATOM 0 HA SER A 88 11.745 -16.534 -2.300 1.00 43.24 H new ATOM 0 HB2 SER A 88 14.267 -16.465 -2.169 1.00 63.12 H new ATOM 0 HB3 SER A 88 14.168 -17.318 -0.641 1.00 63.12 H new ATOM 0 HG SER A 88 12.823 -18.926 -1.970 1.00 43.33 H new ATOM 1259 N HIS A 89 10.796 -16.796 0.585 1.00 74.13 N ATOM 1260 CA HIS A 89 9.879 -17.472 1.497 1.00 75.02 C ATOM 1261 C HIS A 89 8.489 -17.137 1.009 1.00 12.41 C ATOM 1262 O HIS A 89 8.292 -16.055 0.461 1.00 12.34 O ATOM 1263 CB HIS A 89 10.026 -16.952 2.951 1.00 14.22 C ATOM 1264 CG HIS A 89 11.376 -17.148 3.609 1.00 14.52 C ATOM 1265 ND1 HIS A 89 11.558 -17.092 4.978 1.00 33.12 N ATOM 1266 CD2 HIS A 89 12.613 -17.321 3.085 1.00 44.14 C ATOM 1267 CE1 HIS A 89 12.839 -17.212 5.259 1.00 74.02 C ATOM 1268 NE2 HIS A 89 13.500 -17.355 4.129 1.00 4.35 N ATOM 0 H HIS A 89 10.900 -15.797 0.764 1.00 74.13 H new ATOM 0 HA HIS A 89 10.086 -18.542 1.508 1.00 75.02 H new ATOM 0 HB2 HIS A 89 9.796 -15.887 2.956 1.00 14.22 H new ATOM 0 HB3 HIS A 89 9.273 -17.444 3.566 1.00 14.22 H new ATOM 0 HD2 HIS A 89 12.856 -17.415 2.037 1.00 44.14 H new ATOM 0 HE1 HIS A 89 13.273 -17.196 6.248 1.00 74.02 H new ATOM 0 HE2 HIS A 89 14.510 -17.472 4.044 1.00 4.35 H new ATOM 1277 N LYS A 90 7.543 -18.025 1.169 1.00 21.13 N ATOM 1278 CA LYS A 90 6.191 -17.730 0.722 1.00 63.11 C ATOM 1279 C LYS A 90 5.436 -17.009 1.838 1.00 73.14 C ATOM 1280 O LYS A 90 5.361 -17.520 2.959 1.00 1.41 O ATOM 1281 CB LYS A 90 5.446 -19.011 0.306 1.00 5.21 C ATOM 1282 CG LYS A 90 4.041 -18.747 -0.230 1.00 43.24 C ATOM 1283 CD LYS A 90 3.336 -20.029 -0.629 1.00 2.05 C ATOM 1284 CE LYS A 90 1.932 -19.748 -1.145 1.00 1.04 C ATOM 1285 NZ LYS A 90 1.222 -20.988 -1.534 1.00 1.33 N ATOM 0 H LYS A 90 7.670 -18.943 1.596 1.00 21.13 H new ATOM 0 HA LYS A 90 6.246 -17.086 -0.156 1.00 63.11 H new ATOM 0 HB2 LYS A 90 6.027 -19.529 -0.457 1.00 5.21 H new ATOM 0 HB3 LYS A 90 5.380 -19.679 1.165 1.00 5.21 H new ATOM 0 HG2 LYS A 90 3.454 -18.232 0.530 1.00 43.24 H new ATOM 0 HG3 LYS A 90 4.101 -18.082 -1.092 1.00 43.24 H new ATOM 0 HD2 LYS A 90 3.914 -20.540 -1.399 1.00 2.05 H new ATOM 0 HD3 LYS A 90 3.284 -20.700 0.228 1.00 2.05 H new ATOM 0 HE2 LYS A 90 1.360 -19.230 -0.375 1.00 1.04 H new ATOM 0 HE3 LYS A 90 1.989 -19.079 -2.004 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 0.270 -20.749 -1.879 1.00 1.33 H new ATOM 0 HZ2 LYS A 90 1.753 -21.470 -2.287 1.00 1.33 H new ATOM 0 HZ3 LYS A 90 1.143 -21.616 -0.709 1.00 1.33 H new ATOM 1299 N PRO A 91 4.892 -15.808 1.560 1.00 74.43 N ATOM 1300 CA PRO A 91 4.179 -15.013 2.562 1.00 4.25 C ATOM 1301 C PRO A 91 2.886 -15.666 3.023 1.00 32.30 C ATOM 1302 O PRO A 91 2.206 -16.352 2.250 1.00 33.43 O ATOM 1303 CB PRO A 91 3.847 -13.698 1.838 1.00 12.45 C ATOM 1304 CG PRO A 91 4.697 -13.688 0.620 1.00 14.01 C ATOM 1305 CD PRO A 91 4.925 -15.123 0.252 1.00 12.13 C ATOM 0 HA PRO A 91 4.788 -14.890 3.457 1.00 4.25 H new ATOM 0 HB2 PRO A 91 2.789 -13.649 1.579 1.00 12.45 H new ATOM 0 HB3 PRO A 91 4.060 -12.837 2.472 1.00 12.45 H new ATOM 0 HG2 PRO A 91 4.206 -13.152 -0.192 1.00 14.01 H new ATOM 0 HG3 PRO A 91 5.643 -13.181 0.810 1.00 14.01 H new ATOM 0 HD2 PRO A 91 4.151 -15.496 -0.419 1.00 12.13 H new ATOM 0 HD3 PRO A 91 5.880 -15.264 -0.254 1.00 12.13 H new ATOM 1313 N THR A 92 2.566 -15.476 4.271 1.00 54.02 N ATOM 1314 CA THR A 92 1.355 -15.906 4.814 1.00 4.24 C ATOM 1315 C THR A 92 0.416 -14.713 4.929 1.00 3.10 C ATOM 1316 O THR A 92 0.868 -13.551 4.988 1.00 52.01 O ATOM 1317 CB THR A 92 1.592 -16.536 6.200 1.00 22.45 C ATOM 1318 OG1 THR A 92 2.349 -15.647 7.045 1.00 61.35 O ATOM 1319 CG2 THR A 92 2.291 -17.882 6.092 1.00 41.50 C ATOM 0 H THR A 92 3.173 -15.002 4.940 1.00 54.02 H new ATOM 0 HA THR A 92 0.907 -16.660 4.167 1.00 4.24 H new ATOM 0 HB THR A 92 0.614 -16.701 6.652 1.00 22.45 H new ATOM 0 HG1 THR A 92 2.487 -16.066 7.920 1.00 61.35 H new ATOM 0 HG21 THR A 92 2.441 -18.295 7.089 1.00 41.50 H new ATOM 0 HG22 THR A 92 1.677 -18.565 5.505 1.00 41.50 H new ATOM 0 HG23 THR A 92 3.257 -17.752 5.604 1.00 41.50 H new ATOM 1325 N TYR A 93 -0.860 -14.982 4.960 1.00 70.03 N ATOM 1326 CA TYR A 93 -1.857 -13.944 5.046 1.00 32.32 C ATOM 1327 C TYR A 93 -1.832 -13.271 6.403 1.00 54.35 C ATOM 1328 O TYR A 93 -2.097 -12.088 6.508 1.00 3.31 O ATOM 1329 CB TYR A 93 -3.240 -14.498 4.733 1.00 2.44 C ATOM 1330 CG TYR A 93 -3.387 -14.989 3.316 1.00 13.40 C ATOM 1331 CD1 TYR A 93 -3.807 -14.131 2.311 1.00 44.43 C ATOM 1332 CD2 TYR A 93 -3.107 -16.304 2.979 1.00 73.54 C ATOM 1333 CE1 TYR A 93 -3.945 -14.570 1.016 1.00 44.25 C ATOM 1334 CE2 TYR A 93 -3.243 -16.749 1.686 1.00 3.02 C ATOM 1335 CZ TYR A 93 -3.663 -15.878 0.707 1.00 52.34 C ATOM 1336 OH TYR A 93 -3.811 -16.320 -0.585 1.00 21.31 O ATOM 0 H TYR A 93 -1.241 -15.927 4.926 1.00 70.03 H new ATOM 0 HA TYR A 93 -1.620 -13.186 4.299 1.00 32.32 H new ATOM 0 HB2 TYR A 93 -3.457 -15.318 5.417 1.00 2.44 H new ATOM 0 HB3 TYR A 93 -3.983 -13.723 4.919 1.00 2.44 H new ATOM 0 HD1 TYR A 93 -4.029 -13.101 2.550 1.00 44.43 H new ATOM 0 HD2 TYR A 93 -2.777 -16.990 3.745 1.00 73.54 H new ATOM 0 HE1 TYR A 93 -4.274 -13.889 0.245 1.00 44.25 H new ATOM 0 HE2 TYR A 93 -3.021 -17.777 1.439 1.00 3.02 H new ATOM 0 HH TYR A 93 -3.570 -17.269 -0.636 1.00 21.31 H new ATOM 1346 N GLU A 94 -1.480 -14.039 7.428 1.00 24.02 N ATOM 1347 CA GLU A 94 -1.394 -13.542 8.803 1.00 3.50 C ATOM 1348 C GLU A 94 -0.483 -12.320 8.899 1.00 64.14 C ATOM 1349 O GLU A 94 -0.871 -11.290 9.455 1.00 62.44 O ATOM 1350 CB GLU A 94 -0.864 -14.638 9.712 1.00 34.01 C ATOM 1351 CG GLU A 94 -0.700 -14.229 11.161 1.00 62.41 C ATOM 1352 CD GLU A 94 -0.096 -15.321 11.985 1.00 11.43 C ATOM 1353 OE1 GLU A 94 1.139 -15.438 12.006 1.00 23.25 O ATOM 1354 OE2 GLU A 94 -0.845 -16.080 12.625 1.00 54.20 O ATOM 0 H GLU A 94 -1.245 -15.027 7.332 1.00 24.02 H new ATOM 0 HA GLU A 94 -2.396 -13.248 9.117 1.00 3.50 H new ATOM 0 HB2 GLU A 94 -1.540 -15.491 9.663 1.00 34.01 H new ATOM 0 HB3 GLU A 94 0.101 -14.973 9.331 1.00 34.01 H new ATOM 0 HG2 GLU A 94 -0.071 -13.341 11.218 1.00 62.41 H new ATOM 0 HG3 GLU A 94 -1.672 -13.958 11.574 1.00 62.41 H new ATOM 1361 N ASN A 95 0.714 -12.435 8.337 1.00 13.35 N ATOM 1362 CA ASN A 95 1.686 -11.348 8.396 1.00 33.41 C ATOM 1363 C ASN A 95 1.218 -10.149 7.617 1.00 53.43 C ATOM 1364 O ASN A 95 1.335 -9.023 8.085 1.00 63.03 O ATOM 1365 CB ASN A 95 3.072 -11.793 7.927 1.00 53.33 C ATOM 1366 CG ASN A 95 3.721 -12.789 8.868 1.00 53.13 C ATOM 1367 OD1 ASN A 95 3.494 -12.766 10.072 1.00 44.24 O ATOM 1368 ND2 ASN A 95 4.531 -13.661 8.337 1.00 55.51 N ATOM 0 H ASN A 95 1.035 -13.265 7.838 1.00 13.35 H new ATOM 0 HA ASN A 95 1.772 -11.059 9.443 1.00 33.41 H new ATOM 0 HB2 ASN A 95 2.989 -12.238 6.936 1.00 53.33 H new ATOM 0 HB3 ASN A 95 3.716 -10.919 7.831 1.00 53.33 H new ATOM 0 HD21 ASN A 95 4.997 -14.350 8.927 1.00 55.51 H new ATOM 0 HD22 ASN A 95 4.699 -13.654 7.331 1.00 55.51 H new ATOM 1374 N LEU A 96 0.631 -10.401 6.448 1.00 34.32 N ATOM 1375 CA LEU A 96 0.129 -9.337 5.590 1.00 62.24 C ATOM 1376 C LEU A 96 -0.973 -8.578 6.314 1.00 73.01 C ATOM 1377 O LEU A 96 -1.016 -7.346 6.300 1.00 62.54 O ATOM 1378 CB LEU A 96 -0.418 -9.935 4.286 1.00 12.15 C ATOM 1379 CG LEU A 96 -0.997 -8.942 3.272 1.00 14.13 C ATOM 1380 CD1 LEU A 96 0.074 -7.984 2.774 1.00 35.00 C ATOM 1381 CD2 LEU A 96 -1.641 -9.675 2.114 1.00 74.43 C ATOM 0 H LEU A 96 0.492 -11.340 6.075 1.00 34.32 H new ATOM 0 HA LEU A 96 0.942 -8.651 5.352 1.00 62.24 H new ATOM 0 HB2 LEU A 96 0.385 -10.490 3.801 1.00 12.15 H new ATOM 0 HB3 LEU A 96 -1.195 -10.656 4.540 1.00 12.15 H new ATOM 0 HG LEU A 96 -1.765 -8.355 3.776 1.00 14.13 H new ATOM 0 HD11 LEU A 96 -0.364 -7.290 2.056 1.00 35.00 H new ATOM 0 HD12 LEU A 96 0.482 -7.425 3.616 1.00 35.00 H new ATOM 0 HD13 LEU A 96 0.872 -8.549 2.293 1.00 35.00 H new ATOM 0 HD21 LEU A 96 -2.046 -8.952 1.406 1.00 74.43 H new ATOM 0 HD22 LEU A 96 -0.895 -10.294 1.615 1.00 74.43 H new ATOM 0 HD23 LEU A 96 -2.446 -10.308 2.487 1.00 74.43 H new ATOM 1389 N GLN A 97 -1.831 -9.340 6.962 1.00 44.54 N ATOM 1390 CA GLN A 97 -2.941 -8.835 7.733 1.00 12.35 C ATOM 1391 C GLN A 97 -2.442 -7.905 8.818 1.00 35.22 C ATOM 1392 O GLN A 97 -2.902 -6.782 8.942 1.00 42.32 O ATOM 1393 CB GLN A 97 -3.654 -10.020 8.365 1.00 2.33 C ATOM 1394 CG GLN A 97 -4.914 -9.694 9.120 1.00 24.03 C ATOM 1395 CD GLN A 97 -5.508 -10.933 9.730 1.00 33.33 C ATOM 1396 OE1 GLN A 97 -4.787 -11.868 10.100 1.00 63.05 O ATOM 1397 NE2 GLN A 97 -6.797 -10.972 9.823 1.00 13.42 N ATOM 0 H GLN A 97 -1.770 -10.358 6.964 1.00 44.54 H new ATOM 0 HA GLN A 97 -3.621 -8.279 7.087 1.00 12.35 H new ATOM 0 HB2 GLN A 97 -3.897 -10.736 7.580 1.00 2.33 H new ATOM 0 HB3 GLN A 97 -2.962 -10.516 9.045 1.00 2.33 H new ATOM 0 HG2 GLN A 97 -4.696 -8.967 9.902 1.00 24.03 H new ATOM 0 HG3 GLN A 97 -5.637 -9.232 8.447 1.00 24.03 H new ATOM 0 HE21 GLN A 97 -7.355 -10.179 9.506 1.00 13.42 H new ATOM 0 HE22 GLN A 97 -7.255 -11.795 10.213 1.00 13.42 H new ATOM 1405 N LYS A 98 -1.467 -8.381 9.570 1.00 65.15 N ATOM 1406 CA LYS A 98 -0.893 -7.633 10.677 1.00 15.31 C ATOM 1407 C LYS A 98 -0.237 -6.336 10.206 1.00 14.41 C ATOM 1408 O LYS A 98 -0.277 -5.314 10.910 1.00 10.45 O ATOM 1409 CB LYS A 98 0.073 -8.528 11.467 1.00 35.23 C ATOM 1410 CG LYS A 98 -0.639 -9.710 12.121 1.00 62.33 C ATOM 1411 CD LYS A 98 -1.535 -9.246 13.257 1.00 64.23 C ATOM 1412 CE LYS A 98 -2.555 -10.302 13.660 1.00 64.43 C ATOM 1413 NZ LYS A 98 -3.582 -10.494 12.599 1.00 72.42 N ATOM 0 H LYS A 98 -1.048 -9.301 9.431 1.00 65.15 H new ATOM 0 HA LYS A 98 -1.697 -7.332 11.349 1.00 15.31 H new ATOM 0 HB2 LYS A 98 0.850 -8.899 10.799 1.00 35.23 H new ATOM 0 HB3 LYS A 98 0.569 -7.935 12.235 1.00 35.23 H new ATOM 0 HG2 LYS A 98 -1.234 -10.238 11.376 1.00 62.33 H new ATOM 0 HG3 LYS A 98 0.098 -10.418 12.500 1.00 62.33 H new ATOM 0 HD2 LYS A 98 -0.920 -8.991 14.120 1.00 64.23 H new ATOM 0 HD3 LYS A 98 -2.056 -8.337 12.957 1.00 64.23 H new ATOM 0 HE2 LYS A 98 -2.047 -11.247 13.853 1.00 64.43 H new ATOM 0 HE3 LYS A 98 -3.040 -10.006 14.590 1.00 64.43 H new ATOM 0 HZ1 LYS A 98 -4.413 -10.971 13.003 1.00 72.42 H new ATOM 0 HZ2 LYS A 98 -3.865 -9.568 12.218 1.00 72.42 H new ATOM 0 HZ3 LYS A 98 -3.186 -11.077 11.834 1.00 72.42 H new ATOM 1427 N SER A 99 0.338 -6.368 9.022 1.00 12.52 N ATOM 1428 CA SER A 99 0.909 -5.190 8.424 1.00 14.33 C ATOM 1429 C SER A 99 -0.202 -4.195 8.011 1.00 3.30 C ATOM 1430 O SER A 99 -0.084 -2.983 8.249 1.00 71.00 O ATOM 1431 CB SER A 99 1.784 -5.580 7.238 1.00 72.30 C ATOM 1432 OG SER A 99 2.833 -6.433 7.656 1.00 44.41 O ATOM 0 H SER A 99 0.420 -7.210 8.453 1.00 12.52 H new ATOM 0 HA SER A 99 1.539 -4.687 9.158 1.00 14.33 H new ATOM 0 HB2 SER A 99 1.180 -6.081 6.482 1.00 72.30 H new ATOM 0 HB3 SER A 99 2.198 -4.685 6.774 1.00 72.30 H new ATOM 0 HG SER A 99 3.616 -5.895 7.896 1.00 44.41 H new ATOM 1438 N LEU A 100 -1.286 -4.714 7.417 1.00 14.12 N ATOM 1439 CA LEU A 100 -2.442 -3.880 7.027 1.00 40.54 C ATOM 1440 C LEU A 100 -3.040 -3.228 8.263 1.00 35.53 C ATOM 1441 O LEU A 100 -3.393 -2.036 8.262 1.00 33.24 O ATOM 1442 CB LEU A 100 -3.539 -4.725 6.350 1.00 75.11 C ATOM 1443 CG LEU A 100 -3.188 -5.442 5.043 1.00 41.40 C ATOM 1444 CD1 LEU A 100 -4.360 -6.265 4.583 1.00 2.23 C ATOM 1445 CD2 LEU A 100 -2.820 -4.454 3.969 1.00 55.32 C ATOM 0 H LEU A 100 -1.391 -5.704 7.195 1.00 14.12 H new ATOM 0 HA LEU A 100 -2.086 -3.127 6.324 1.00 40.54 H new ATOM 0 HB2 LEU A 100 -3.871 -5.478 7.065 1.00 75.11 H new ATOM 0 HB3 LEU A 100 -4.391 -4.073 6.155 1.00 75.11 H new ATOM 0 HG LEU A 100 -2.331 -6.090 5.229 1.00 41.40 H new ATOM 0 HD11 LEU A 100 -4.105 -6.773 3.653 1.00 2.23 H new ATOM 0 HD12 LEU A 100 -4.607 -7.005 5.345 1.00 2.23 H new ATOM 0 HD13 LEU A 100 -5.219 -5.615 4.418 1.00 2.23 H new ATOM 0 HD21 LEU A 100 -2.575 -4.989 3.051 1.00 55.32 H new ATOM 0 HD22 LEU A 100 -3.661 -3.785 3.786 1.00 55.32 H new ATOM 0 HD23 LEU A 100 -1.957 -3.871 4.291 1.00 55.32 H new ATOM 1453 N GLU A 101 -3.121 -4.015 9.315 1.00 62.22 N ATOM 1454 CA GLU A 101 -3.683 -3.582 10.588 1.00 10.10 C ATOM 1455 C GLU A 101 -2.862 -2.468 11.214 1.00 20.02 C ATOM 1456 O GLU A 101 -3.382 -1.643 11.955 1.00 13.31 O ATOM 1457 CB GLU A 101 -3.830 -4.744 11.578 1.00 1.42 C ATOM 1458 CG GLU A 101 -4.807 -5.833 11.151 1.00 55.32 C ATOM 1459 CD GLU A 101 -4.975 -6.895 12.209 1.00 32.41 C ATOM 1460 OE1 GLU A 101 -4.191 -7.867 12.245 1.00 25.43 O ATOM 1461 OE2 GLU A 101 -5.886 -6.760 13.051 1.00 35.21 O ATOM 0 H GLU A 101 -2.797 -4.982 9.316 1.00 62.22 H new ATOM 0 HA GLU A 101 -4.678 -3.197 10.367 1.00 10.10 H new ATOM 0 HB2 GLU A 101 -2.850 -5.196 11.733 1.00 1.42 H new ATOM 0 HB3 GLU A 101 -4.152 -4.344 12.539 1.00 1.42 H new ATOM 0 HG2 GLU A 101 -5.776 -5.384 10.932 1.00 55.32 H new ATOM 0 HG3 GLU A 101 -4.454 -6.294 10.229 1.00 55.32 H new ATOM 1468 N ALA A 102 -1.586 -2.457 10.940 1.00 40.21 N ATOM 1469 CA ALA A 102 -0.719 -1.437 11.478 1.00 11.51 C ATOM 1470 C ALA A 102 -0.886 -0.106 10.759 1.00 60.41 C ATOM 1471 O ALA A 102 -0.899 0.956 11.397 1.00 21.43 O ATOM 1472 CB ALA A 102 0.728 -1.882 11.466 1.00 41.14 C ATOM 0 H ALA A 102 -1.120 -3.143 10.346 1.00 40.21 H new ATOM 0 HA ALA A 102 -1.017 -1.283 12.515 1.00 11.51 H new ATOM 0 HB1 ALA A 102 1.355 -1.091 11.878 1.00 41.14 H new ATOM 0 HB2 ALA A 102 0.837 -2.783 12.070 1.00 41.14 H new ATOM 0 HB3 ALA A 102 1.035 -2.093 10.442 1.00 41.14 H new ATOM 1478 N MET A 103 -1.046 -0.143 9.435 1.00 2.12 N ATOM 1479 CA MET A 103 -1.116 1.092 8.698 1.00 3.04 C ATOM 1480 C MET A 103 -2.398 1.861 8.943 1.00 53.13 C ATOM 1481 O MET A 103 -2.388 3.082 8.888 1.00 44.05 O ATOM 1482 CB MET A 103 -0.798 0.948 7.219 1.00 41.35 C ATOM 1483 CG MET A 103 -1.742 0.108 6.442 1.00 53.35 C ATOM 1484 SD MET A 103 -1.265 0.002 4.722 1.00 60.31 S ATOM 1485 CE MET A 103 -2.575 -1.017 4.125 1.00 43.24 C ATOM 0 H MET A 103 -1.126 -0.993 8.877 1.00 2.12 H new ATOM 0 HA MET A 103 -0.310 1.701 9.108 1.00 3.04 H new ATOM 0 HB2 MET A 103 -0.771 1.942 6.772 1.00 41.35 H new ATOM 0 HB3 MET A 103 0.202 0.527 7.120 1.00 41.35 H new ATOM 0 HG2 MET A 103 -1.779 -0.893 6.872 1.00 53.35 H new ATOM 0 HG3 MET A 103 -2.747 0.524 6.517 1.00 53.35 H new ATOM 0 HE1 MET A 103 -2.178 -1.739 3.411 1.00 43.24 H new ATOM 0 HE2 MET A 103 -3.033 -1.547 4.960 1.00 43.24 H new ATOM 0 HE3 MET A 103 -3.324 -0.396 3.635 1.00 43.24 H new ATOM 1495 N LYS A 104 -3.507 1.155 9.208 1.00 3.02 N ATOM 1496 CA LYS A 104 -4.782 1.828 9.496 1.00 62.32 C ATOM 1497 C LYS A 104 -4.648 2.797 10.673 1.00 54.44 C ATOM 1498 O LYS A 104 -5.096 3.940 10.597 1.00 33.21 O ATOM 1499 CB LYS A 104 -5.919 0.834 9.752 1.00 12.21 C ATOM 1500 CG LYS A 104 -5.726 -0.066 10.951 1.00 60.53 C ATOM 1501 CD LYS A 104 -6.982 -0.829 11.299 1.00 35.42 C ATOM 1502 CE LYS A 104 -8.112 0.127 11.564 1.00 41.44 C ATOM 1503 NZ LYS A 104 -9.287 -0.555 12.162 1.00 64.23 N ATOM 0 H LYS A 104 -3.548 0.136 9.229 1.00 3.02 H new ATOM 0 HA LYS A 104 -5.038 2.399 8.604 1.00 62.32 H new ATOM 0 HB2 LYS A 104 -6.846 1.392 9.882 1.00 12.21 H new ATOM 0 HB3 LYS A 104 -6.043 0.211 8.866 1.00 12.21 H new ATOM 0 HG2 LYS A 104 -4.919 -0.770 10.748 1.00 60.53 H new ATOM 0 HG3 LYS A 104 -5.418 0.534 11.808 1.00 60.53 H new ATOM 0 HD2 LYS A 104 -7.247 -1.500 10.482 1.00 35.42 H new ATOM 0 HD3 LYS A 104 -6.808 -1.450 12.178 1.00 35.42 H new ATOM 0 HE2 LYS A 104 -7.770 0.916 12.234 1.00 41.44 H new ATOM 0 HE3 LYS A 104 -8.407 0.607 10.631 1.00 41.44 H new ATOM 0 HZ1 LYS A 104 -9.982 0.155 12.469 1.00 64.23 H new ATOM 0 HZ2 LYS A 104 -9.722 -1.181 11.455 1.00 64.23 H new ATOM 0 HZ3 LYS A 104 -8.982 -1.117 12.982 1.00 64.23 H new ATOM 1517 N SER A 105 -3.999 2.342 11.737 1.00 23.43 N ATOM 1518 CA SER A 105 -3.781 3.150 12.930 1.00 51.12 C ATOM 1519 C SER A 105 -2.942 4.393 12.599 1.00 63.11 C ATOM 1520 O SER A 105 -3.222 5.501 13.077 1.00 12.44 O ATOM 1521 CB SER A 105 -3.096 2.293 13.983 1.00 61.15 C ATOM 1522 OG SER A 105 -3.871 1.128 14.235 1.00 55.43 O ATOM 0 H SER A 105 -3.609 1.402 11.797 1.00 23.43 H new ATOM 0 HA SER A 105 -4.739 3.499 13.316 1.00 51.12 H new ATOM 0 HB2 SER A 105 -2.099 2.011 13.644 1.00 61.15 H new ATOM 0 HB3 SER A 105 -2.970 2.863 14.903 1.00 61.15 H new ATOM 0 HG SER A 105 -3.425 0.578 14.913 1.00 55.43 H new ATOM 1528 N HIS A 106 -1.935 4.189 11.765 1.00 25.03 N ATOM 1529 CA HIS A 106 -1.047 5.252 11.291 1.00 73.32 C ATOM 1530 C HIS A 106 -1.826 6.274 10.464 1.00 14.14 C ATOM 1531 O HIS A 106 -1.677 7.474 10.657 1.00 11.11 O ATOM 1532 CB HIS A 106 0.082 4.615 10.447 1.00 72.15 C ATOM 1533 CG HIS A 106 1.049 5.578 9.824 1.00 14.23 C ATOM 1534 ND1 HIS A 106 0.861 6.126 8.571 1.00 23.42 N ATOM 1535 CD2 HIS A 106 2.221 6.074 10.268 1.00 43.22 C ATOM 1536 CE1 HIS A 106 1.856 6.909 8.278 1.00 25.41 C ATOM 1537 NE2 HIS A 106 2.700 6.900 9.283 1.00 71.11 N ATOM 0 H HIS A 106 -1.704 3.269 11.390 1.00 25.03 H new ATOM 0 HA HIS A 106 -0.615 5.776 12.144 1.00 73.32 H new ATOM 0 HB2 HIS A 106 0.641 3.926 11.081 1.00 72.15 H new ATOM 0 HB3 HIS A 106 -0.373 4.021 9.654 1.00 72.15 H new ATOM 0 HD1 HIS A 106 0.061 5.944 7.966 1.00 23.42 H new ATOM 0 HD2 HIS A 106 2.692 5.862 11.216 1.00 43.22 H new ATOM 0 HE1 HIS A 106 1.969 7.471 7.363 1.00 25.41 H new ATOM 1546 N CYS A 107 -2.652 5.783 9.560 1.00 13.41 N ATOM 1547 CA CYS A 107 -3.431 6.636 8.674 1.00 55.24 C ATOM 1548 C CYS A 107 -4.390 7.526 9.458 1.00 23.33 C ATOM 1549 O CYS A 107 -4.419 8.742 9.261 1.00 42.32 O ATOM 1550 CB CYS A 107 -4.203 5.794 7.667 1.00 53.31 C ATOM 1551 SG CYS A 107 -3.175 4.742 6.621 1.00 0.43 S ATOM 0 H CYS A 107 -2.804 4.785 9.417 1.00 13.41 H new ATOM 0 HA CYS A 107 -2.734 7.281 8.139 1.00 55.24 H new ATOM 0 HB2 CYS A 107 -4.912 5.166 8.206 1.00 53.31 H new ATOM 0 HB3 CYS A 107 -4.787 6.458 7.030 1.00 53.31 H new ATOM 0 HG CYS A 107 -2.722 3.744 7.321 1.00 0.43 H new ATOM 1557 N LEU A 108 -5.138 6.918 10.373 1.00 10.04 N ATOM 1558 CA LEU A 108 -6.122 7.632 11.191 1.00 13.40 C ATOM 1559 C LEU A 108 -5.465 8.702 12.056 1.00 20.45 C ATOM 1560 O LEU A 108 -6.075 9.720 12.375 1.00 32.15 O ATOM 1561 CB LEU A 108 -6.870 6.650 12.098 1.00 33.41 C ATOM 1562 CG LEU A 108 -7.686 5.558 11.405 1.00 60.13 C ATOM 1563 CD1 LEU A 108 -8.318 4.640 12.436 1.00 54.22 C ATOM 1564 CD2 LEU A 108 -8.759 6.171 10.518 1.00 75.44 C ATOM 0 H LEU A 108 -5.082 5.919 10.571 1.00 10.04 H new ATOM 0 HA LEU A 108 -6.820 8.117 10.508 1.00 13.40 H new ATOM 0 HB2 LEU A 108 -6.142 6.168 12.751 1.00 33.41 H new ATOM 0 HB3 LEU A 108 -7.542 7.222 12.738 1.00 33.41 H new ATOM 0 HG LEU A 108 -7.014 4.972 10.778 1.00 60.13 H new ATOM 0 HD11 LEU A 108 -8.896 3.867 11.929 1.00 54.22 H new ATOM 0 HD12 LEU A 108 -7.536 4.174 13.036 1.00 54.22 H new ATOM 0 HD13 LEU A 108 -8.976 5.219 13.084 1.00 54.22 H new ATOM 0 HD21 LEU A 108 -9.328 5.377 10.034 1.00 75.44 H new ATOM 0 HD22 LEU A 108 -9.429 6.780 11.125 1.00 75.44 H new ATOM 0 HD23 LEU A 108 -8.290 6.796 9.758 1.00 75.44 H new ATOM 1572 N LYS A 109 -4.223 8.467 12.412 1.00 45.23 N ATOM 1573 CA LYS A 109 -3.492 9.351 13.286 1.00 14.31 C ATOM 1574 C LYS A 109 -3.086 10.634 12.576 1.00 53.22 C ATOM 1575 O LYS A 109 -3.279 11.742 13.103 1.00 50.23 O ATOM 1576 CB LYS A 109 -2.241 8.637 13.807 1.00 32.24 C ATOM 1577 CG LYS A 109 -1.418 9.439 14.796 1.00 43.20 C ATOM 1578 CD LYS A 109 -0.219 8.641 15.263 1.00 31.43 C ATOM 1579 CE LYS A 109 0.655 9.421 16.233 1.00 3.34 C ATOM 1580 NZ LYS A 109 1.187 10.660 15.634 1.00 54.04 N ATOM 0 H LYS A 109 -3.691 7.654 12.102 1.00 45.23 H new ATOM 0 HA LYS A 109 -4.146 9.618 14.116 1.00 14.31 H new ATOM 0 HB2 LYS A 109 -2.543 7.703 14.280 1.00 32.24 H new ATOM 0 HB3 LYS A 109 -1.609 8.375 12.958 1.00 32.24 H new ATOM 0 HG2 LYS A 109 -1.085 10.367 14.332 1.00 43.20 H new ATOM 0 HG3 LYS A 109 -2.034 9.714 15.652 1.00 43.20 H new ATOM 0 HD2 LYS A 109 -0.561 7.724 15.743 1.00 31.43 H new ATOM 0 HD3 LYS A 109 0.376 8.346 14.399 1.00 31.43 H new ATOM 0 HE2 LYS A 109 0.075 9.669 17.122 1.00 3.34 H new ATOM 0 HE3 LYS A 109 1.484 8.792 16.558 1.00 3.34 H new ATOM 0 HZ1 LYS A 109 1.930 11.051 16.248 1.00 54.04 H new ATOM 0 HZ2 LYS A 109 1.587 10.449 14.698 1.00 54.04 H new ATOM 0 HZ3 LYS A 109 0.419 11.355 15.534 1.00 54.04 H new ATOM 1594 N ASN A 110 -2.540 10.499 11.397 1.00 52.31 N ATOM 1595 CA ASN A 110 -1.988 11.654 10.701 1.00 54.41 C ATOM 1596 C ASN A 110 -2.858 12.234 9.593 1.00 41.15 C ATOM 1597 O ASN A 110 -2.617 13.360 9.160 1.00 33.10 O ATOM 1598 CB ASN A 110 -0.569 11.377 10.232 1.00 71.54 C ATOM 1599 CG ASN A 110 -0.452 10.149 9.368 1.00 31.32 C ATOM 1600 OD1 ASN A 110 0.605 9.430 9.561 1.00 10.31 O flip ATOM 1601 ND2 ASN A 110 -1.341 9.810 8.582 1.00 44.25 N flip ATOM 0 H ASN A 110 -2.461 9.615 10.894 1.00 52.31 H new ATOM 0 HA ASN A 110 -1.966 12.448 11.447 1.00 54.41 H new ATOM 0 HB2 ASN A 110 -0.204 12.240 9.675 1.00 71.54 H new ATOM 0 HB3 ASN A 110 0.077 11.262 11.102 1.00 71.54 H new ATOM 0 HD21 ASN A 110 -2.162 10.402 8.454 1.00 44.25 H new ATOM 0 HD22 ASN A 110 -1.255 8.938 8.060 1.00 44.25 H new ATOM 1607 N GLY A 111 -3.851 11.507 9.139 1.00 20.40 N ATOM 1608 CA GLY A 111 -4.737 12.080 8.147 1.00 24.14 C ATOM 1609 C GLY A 111 -4.761 11.343 6.824 1.00 65.40 C ATOM 1610 O GLY A 111 -5.480 11.750 5.906 1.00 30.40 O ATOM 0 H GLY A 111 -4.064 10.552 9.426 1.00 20.40 H new ATOM 0 HA2 GLY A 111 -5.748 12.105 8.553 1.00 24.14 H new ATOM 0 HA3 GLY A 111 -4.440 13.113 7.967 1.00 24.14 H new ATOM 1614 N VAL A 112 -3.984 10.273 6.697 1.00 23.40 N ATOM 1615 CA VAL A 112 -4.025 9.476 5.474 1.00 0.34 C ATOM 1616 C VAL A 112 -5.412 8.827 5.327 1.00 54.25 C ATOM 1617 O VAL A 112 -5.772 7.923 6.066 1.00 52.43 O ATOM 1618 CB VAL A 112 -2.886 8.409 5.398 1.00 64.53 C ATOM 1619 CG1 VAL A 112 -3.051 7.530 4.162 1.00 64.23 C ATOM 1620 CG2 VAL A 112 -1.534 9.099 5.349 1.00 14.01 C ATOM 0 H VAL A 112 -3.332 9.942 7.408 1.00 23.40 H new ATOM 0 HA VAL A 112 -3.850 10.151 4.636 1.00 0.34 H new ATOM 0 HB VAL A 112 -2.946 7.781 6.287 1.00 64.53 H new ATOM 0 HG11 VAL A 112 -2.247 6.794 4.129 1.00 64.23 H new ATOM 0 HG12 VAL A 112 -4.011 7.017 4.206 1.00 64.23 H new ATOM 0 HG13 VAL A 112 -3.012 8.150 3.267 1.00 64.23 H new ATOM 0 HG21 VAL A 112 -0.745 8.349 5.296 1.00 14.01 H new ATOM 0 HG22 VAL A 112 -1.485 9.741 4.469 1.00 14.01 H new ATOM 0 HG23 VAL A 112 -1.401 9.703 6.246 1.00 14.01 H new ATOM 1626 N THR A 113 -6.187 9.340 4.399 1.00 43.54 N ATOM 1627 CA THR A 113 -7.555 8.899 4.215 1.00 61.23 C ATOM 1628 C THR A 113 -7.752 8.300 2.809 1.00 25.22 C ATOM 1629 O THR A 113 -8.527 7.359 2.618 1.00 51.51 O ATOM 1630 CB THR A 113 -8.506 10.100 4.416 1.00 71.40 C ATOM 1631 OG1 THR A 113 -8.170 10.745 5.659 1.00 52.34 O ATOM 1632 CG2 THR A 113 -9.958 9.645 4.474 1.00 35.33 C ATOM 0 H THR A 113 -5.891 10.071 3.752 1.00 43.54 H new ATOM 0 HA THR A 113 -7.779 8.124 4.948 1.00 61.23 H new ATOM 0 HB THR A 113 -8.392 10.785 3.576 1.00 71.40 H new ATOM 0 HG1 THR A 113 -7.283 11.155 5.586 1.00 52.34 H new ATOM 0 HG21 THR A 113 -10.605 10.511 4.616 1.00 35.33 H new ATOM 0 HG22 THR A 113 -10.220 9.145 3.542 1.00 35.33 H new ATOM 0 HG23 THR A 113 -10.090 8.953 5.306 1.00 35.33 H new ATOM 1638 N ASP A 114 -7.050 8.845 1.847 1.00 61.54 N ATOM 1639 CA ASP A 114 -7.111 8.365 0.474 1.00 72.43 C ATOM 1640 C ASP A 114 -5.819 7.615 0.206 1.00 71.41 C ATOM 1641 O ASP A 114 -4.728 8.195 0.316 1.00 11.20 O ATOM 1642 CB ASP A 114 -7.268 9.563 -0.485 1.00 11.25 C ATOM 1643 CG ASP A 114 -7.446 9.180 -1.949 1.00 23.12 C ATOM 1644 OD1 ASP A 114 -8.537 8.740 -2.326 1.00 52.11 O ATOM 1645 OD2 ASP A 114 -6.515 9.354 -2.744 1.00 41.03 O ATOM 0 H ASP A 114 -6.418 9.634 1.985 1.00 61.54 H new ATOM 0 HA ASP A 114 -7.964 7.705 0.318 1.00 72.43 H new ATOM 0 HB2 ASP A 114 -8.128 10.154 -0.170 1.00 11.25 H new ATOM 0 HB3 ASP A 114 -6.390 10.203 -0.394 1.00 11.25 H new ATOM 1650 N LEU A 115 -5.926 6.334 -0.079 1.00 25.12 N ATOM 1651 CA LEU A 115 -4.754 5.493 -0.244 1.00 0.44 C ATOM 1652 C LEU A 115 -4.920 4.672 -1.515 1.00 21.44 C ATOM 1653 O LEU A 115 -5.981 4.077 -1.737 1.00 33.52 O ATOM 1654 CB LEU A 115 -4.631 4.567 1.017 1.00 35.34 C ATOM 1655 CG LEU A 115 -3.299 3.809 1.268 1.00 34.23 C ATOM 1656 CD1 LEU A 115 -3.337 3.143 2.632 1.00 53.33 C ATOM 1657 CD2 LEU A 115 -3.047 2.751 0.216 1.00 32.54 C ATOM 0 H LEU A 115 -6.815 5.849 -0.202 1.00 25.12 H new ATOM 0 HA LEU A 115 -3.846 6.089 -0.333 1.00 0.44 H new ATOM 0 HB2 LEU A 115 -4.831 5.180 1.896 1.00 35.34 H new ATOM 0 HB3 LEU A 115 -5.426 3.824 0.958 1.00 35.34 H new ATOM 0 HG LEU A 115 -2.492 4.541 1.221 1.00 34.23 H new ATOM 0 HD11 LEU A 115 -2.401 2.612 2.804 1.00 53.33 H new ATOM 0 HD12 LEU A 115 -3.471 3.901 3.403 1.00 53.33 H new ATOM 0 HD13 LEU A 115 -4.166 2.437 2.669 1.00 53.33 H new ATOM 0 HD21 LEU A 115 -2.106 2.244 0.428 1.00 32.54 H new ATOM 0 HD22 LEU A 115 -3.860 2.026 0.227 1.00 32.54 H new ATOM 0 HD23 LEU A 115 -2.993 3.220 -0.766 1.00 32.54 H new ATOM 1665 N SER A 116 -3.901 4.645 -2.336 1.00 43.02 N ATOM 1666 CA SER A 116 -3.928 3.880 -3.545 1.00 5.44 C ATOM 1667 C SER A 116 -2.900 2.754 -3.499 1.00 20.23 C ATOM 1668 O SER A 116 -1.765 2.931 -3.025 1.00 24.23 O ATOM 1669 CB SER A 116 -3.695 4.774 -4.754 1.00 61.31 C ATOM 1670 OG SER A 116 -4.667 5.807 -4.800 1.00 42.42 O ATOM 0 H SER A 116 -3.031 5.155 -2.180 1.00 43.02 H new ATOM 0 HA SER A 116 -4.917 3.431 -3.639 1.00 5.44 H new ATOM 0 HB2 SER A 116 -2.696 5.208 -4.706 1.00 61.31 H new ATOM 0 HB3 SER A 116 -3.742 4.181 -5.667 1.00 61.31 H new ATOM 0 HG SER A 116 -4.648 6.311 -3.960 1.00 42.42 H new ATOM 1676 N MET A 117 -3.299 1.613 -3.968 1.00 5.31 N ATOM 1677 CA MET A 117 -2.453 0.453 -4.003 1.00 71.31 C ATOM 1678 C MET A 117 -2.773 -0.320 -5.276 1.00 14.33 C ATOM 1679 O MET A 117 -3.831 -0.123 -5.853 1.00 53.43 O ATOM 1680 CB MET A 117 -2.695 -0.420 -2.741 1.00 42.24 C ATOM 1681 CG MET A 117 -4.109 -0.965 -2.622 1.00 41.13 C ATOM 1682 SD MET A 117 -4.403 -1.927 -1.115 1.00 0.34 S ATOM 1683 CE MET A 117 -4.142 -0.700 0.172 1.00 71.30 C ATOM 0 H MET A 117 -4.234 1.455 -4.343 1.00 5.31 H new ATOM 0 HA MET A 117 -1.402 0.741 -4.004 1.00 71.31 H new ATOM 0 HB2 MET A 117 -1.995 -1.256 -2.751 1.00 42.24 H new ATOM 0 HB3 MET A 117 -2.470 0.173 -1.854 1.00 42.24 H new ATOM 0 HG2 MET A 117 -4.812 -0.133 -2.652 1.00 41.13 H new ATOM 0 HG3 MET A 117 -4.320 -1.592 -3.488 1.00 41.13 H new ATOM 0 HE1 MET A 117 -4.462 -1.106 1.132 1.00 71.30 H new ATOM 0 HE2 MET A 117 -3.084 -0.443 0.221 1.00 71.30 H new ATOM 0 HE3 MET A 117 -4.722 0.194 -0.055 1.00 71.30 H new ATOM 1693 N PRO A 118 -1.864 -1.154 -5.767 1.00 45.33 N ATOM 1694 CA PRO A 118 -2.124 -1.966 -6.944 1.00 54.10 C ATOM 1695 C PRO A 118 -2.753 -3.297 -6.540 1.00 32.43 C ATOM 1696 O PRO A 118 -3.217 -3.453 -5.404 1.00 61.45 O ATOM 1697 CB PRO A 118 -0.719 -2.196 -7.496 1.00 73.01 C ATOM 1698 CG PRO A 118 0.159 -2.239 -6.282 1.00 51.41 C ATOM 1699 CD PRO A 118 -0.505 -1.372 -5.233 1.00 42.05 C ATOM 0 HA PRO A 118 -2.809 -1.504 -7.655 1.00 54.10 H new ATOM 0 HB2 PRO A 118 -0.662 -3.127 -8.060 1.00 73.01 H new ATOM 0 HB3 PRO A 118 -0.422 -1.394 -8.172 1.00 73.01 H new ATOM 0 HG2 PRO A 118 0.273 -3.262 -5.923 1.00 51.41 H new ATOM 0 HG3 PRO A 118 1.158 -1.869 -6.514 1.00 51.41 H new ATOM 0 HD2 PRO A 118 -0.531 -1.867 -4.262 1.00 42.05 H new ATOM 0 HD3 PRO A 118 0.027 -0.431 -5.096 1.00 42.05 H new ATOM 1707 N ARG A 119 -2.782 -4.254 -7.450 1.00 61.24 N ATOM 1708 CA ARG A 119 -3.267 -5.569 -7.097 1.00 44.34 C ATOM 1709 C ARG A 119 -2.232 -6.325 -6.273 1.00 60.42 C ATOM 1710 O ARG A 119 -1.388 -7.051 -6.817 1.00 64.32 O ATOM 1711 CB ARG A 119 -3.682 -6.412 -8.313 1.00 2.21 C ATOM 1712 CG ARG A 119 -4.923 -5.945 -9.053 1.00 2.32 C ATOM 1713 CD ARG A 119 -5.254 -6.909 -10.197 1.00 63.10 C ATOM 1714 NE ARG A 119 -4.224 -6.918 -11.261 1.00 70.51 N ATOM 1715 CZ ARG A 119 -3.760 -8.028 -11.883 1.00 21.54 C ATOM 1716 NH1 ARG A 119 -4.139 -9.239 -11.481 1.00 61.22 N ATOM 1717 NH2 ARG A 119 -2.914 -7.908 -12.898 1.00 31.12 N ATOM 0 H ARG A 119 -2.481 -4.147 -8.419 1.00 61.24 H new ATOM 0 HA ARG A 119 -4.165 -5.406 -6.501 1.00 44.34 H new ATOM 0 HB2 ARG A 119 -2.850 -6.433 -9.017 1.00 2.21 H new ATOM 0 HB3 ARG A 119 -3.845 -7.437 -7.981 1.00 2.21 H new ATOM 0 HG2 ARG A 119 -5.765 -5.885 -8.363 1.00 2.32 H new ATOM 0 HG3 ARG A 119 -4.763 -4.942 -9.448 1.00 2.32 H new ATOM 0 HD2 ARG A 119 -5.363 -7.917 -9.796 1.00 63.10 H new ATOM 0 HD3 ARG A 119 -6.215 -6.633 -10.631 1.00 63.10 H new ATOM 0 HE ARG A 119 -3.834 -6.020 -11.547 1.00 70.51 H new ATOM 0 HH11 ARG A 119 -4.785 -9.337 -10.698 1.00 61.22 H new ATOM 0 HH12 ARG A 119 -3.784 -10.069 -11.956 1.00 61.22 H new ATOM 0 HH21 ARG A 119 -2.616 -6.983 -13.207 1.00 31.12 H new ATOM 0 HH22 ARG A 119 -2.562 -8.741 -13.370 1.00 31.12 H new ATOM 1729 N ILE A 120 -2.245 -6.096 -4.982 1.00 42.54 N ATOM 1730 CA ILE A 120 -1.379 -6.809 -4.084 1.00 44.12 C ATOM 1731 C ILE A 120 -2.033 -8.113 -3.666 1.00 3.10 C ATOM 1732 O ILE A 120 -2.831 -8.175 -2.746 1.00 31.04 O ATOM 1733 CB ILE A 120 -0.916 -5.956 -2.854 1.00 30.02 C ATOM 1734 CG1 ILE A 120 -2.115 -5.333 -2.100 1.00 41.10 C ATOM 1735 CG2 ILE A 120 0.065 -4.877 -3.303 1.00 34.15 C ATOM 1736 CD1 ILE A 120 -1.725 -4.536 -0.868 1.00 13.04 C ATOM 0 H ILE A 120 -2.853 -5.414 -4.530 1.00 42.54 H new ATOM 0 HA ILE A 120 -0.461 -7.035 -4.626 1.00 44.12 H new ATOM 0 HB ILE A 120 -0.411 -6.623 -2.155 1.00 30.02 H new ATOM 0 HG12 ILE A 120 -2.662 -4.682 -2.783 1.00 41.10 H new ATOM 0 HG13 ILE A 120 -2.798 -6.129 -1.804 1.00 41.10 H new ATOM 0 HG21 ILE A 120 0.380 -4.290 -2.440 1.00 34.15 H new ATOM 0 HG22 ILE A 120 0.936 -5.345 -3.761 1.00 34.15 H new ATOM 0 HG23 ILE A 120 -0.420 -4.224 -4.029 1.00 34.15 H new ATOM 0 HD11 ILE A 120 -2.621 -4.133 -0.397 1.00 13.04 H new ATOM 0 HD12 ILE A 120 -1.206 -5.186 -0.164 1.00 13.04 H new ATOM 0 HD13 ILE A 120 -1.068 -3.716 -1.158 1.00 13.04 H new ATOM 1743 N GLY A 121 -1.718 -9.129 -4.393 1.00 12.32 N ATOM 1744 CA GLY A 121 -2.327 -10.402 -4.195 1.00 60.42 C ATOM 1745 C GLY A 121 -2.412 -11.138 -5.494 1.00 12.43 C ATOM 1746 O GLY A 121 -3.440 -11.742 -5.812 1.00 32.03 O ATOM 0 H GLY A 121 -1.029 -9.102 -5.144 1.00 12.32 H new ATOM 0 HA2 GLY A 121 -1.749 -10.983 -3.476 1.00 60.42 H new ATOM 0 HA3 GLY A 121 -3.324 -10.275 -3.774 1.00 60.42 H new ATOM 1750 N CYS A 122 -1.322 -11.080 -6.260 1.00 64.23 N ATOM 1751 CA CYS A 122 -1.245 -11.744 -7.553 1.00 74.03 C ATOM 1752 C CYS A 122 0.176 -11.661 -8.163 1.00 44.10 C ATOM 1753 O CYS A 122 0.402 -12.089 -9.306 1.00 71.32 O ATOM 1754 CB CYS A 122 -2.270 -11.167 -8.530 1.00 62.21 C ATOM 1755 SG CYS A 122 -2.063 -9.397 -8.863 1.00 73.05 S ATOM 0 H CYS A 122 -0.475 -10.574 -6.000 1.00 64.23 H new ATOM 0 HA CYS A 122 -1.475 -12.796 -7.382 1.00 74.03 H new ATOM 0 HB2 CYS A 122 -2.205 -11.713 -9.471 1.00 62.21 H new ATOM 0 HB3 CYS A 122 -3.270 -11.336 -8.132 1.00 62.21 H new ATOM 0 HG CYS A 122 -1.795 -8.775 -7.753 1.00 73.05 H new ATOM 1761 N GLY A 123 1.120 -11.138 -7.415 1.00 60.43 N ATOM 1762 CA GLY A 123 2.457 -11.004 -7.915 1.00 2.15 C ATOM 1763 C GLY A 123 3.427 -11.838 -7.130 1.00 42.13 C ATOM 1764 O GLY A 123 3.224 -13.048 -6.952 1.00 5.33 O ATOM 0 H GLY A 123 0.982 -10.801 -6.462 1.00 60.43 H new ATOM 0 HA2 GLY A 123 2.486 -11.302 -8.963 1.00 2.15 H new ATOM 0 HA3 GLY A 123 2.759 -9.957 -7.873 1.00 2.15 H new ATOM 1768 N LEU A 124 4.458 -11.195 -6.617 1.00 33.34 N ATOM 1769 CA LEU A 124 5.494 -11.872 -5.832 1.00 71.41 C ATOM 1770 C LEU A 124 4.939 -12.303 -4.490 1.00 23.14 C ATOM 1771 O LEU A 124 5.527 -13.125 -3.786 1.00 53.55 O ATOM 1772 CB LEU A 124 6.746 -11.000 -5.632 1.00 4.03 C ATOM 1773 CG LEU A 124 7.582 -10.616 -6.872 1.00 55.21 C ATOM 1774 CD1 LEU A 124 6.828 -9.705 -7.834 1.00 22.33 C ATOM 1775 CD2 LEU A 124 8.879 -9.972 -6.445 1.00 45.41 C ATOM 0 H LEU A 124 4.609 -10.192 -6.727 1.00 33.34 H new ATOM 0 HA LEU A 124 5.801 -12.751 -6.399 1.00 71.41 H new ATOM 0 HB2 LEU A 124 6.433 -10.077 -5.145 1.00 4.03 H new ATOM 0 HB3 LEU A 124 7.405 -11.520 -4.936 1.00 4.03 H new ATOM 0 HG LEU A 124 7.793 -11.538 -7.413 1.00 55.21 H new ATOM 0 HD11 LEU A 124 7.465 -9.469 -8.686 1.00 22.33 H new ATOM 0 HD12 LEU A 124 5.928 -10.210 -8.183 1.00 22.33 H new ATOM 0 HD13 LEU A 124 6.551 -8.784 -7.321 1.00 22.33 H new ATOM 0 HD21 LEU A 124 9.461 -9.705 -7.327 1.00 45.41 H new ATOM 0 HD22 LEU A 124 8.666 -9.074 -5.866 1.00 45.41 H new ATOM 0 HD23 LEU A 124 9.448 -10.672 -5.833 1.00 45.41 H new ATOM 1783 N ASP A 125 3.818 -11.714 -4.141 1.00 42.25 N ATOM 1784 CA ASP A 125 3.081 -12.034 -2.934 1.00 3.31 C ATOM 1785 C ASP A 125 2.691 -13.514 -2.901 1.00 55.51 C ATOM 1786 O ASP A 125 2.697 -14.121 -1.840 1.00 51.12 O ATOM 1787 CB ASP A 125 1.824 -11.161 -2.837 1.00 50.12 C ATOM 1788 CG ASP A 125 0.963 -11.256 -4.077 1.00 35.42 C ATOM 1789 OD1 ASP A 125 0.276 -12.269 -4.275 1.00 54.51 O ATOM 1790 OD2 ASP A 125 0.982 -10.308 -4.899 1.00 34.15 O ATOM 0 H ASP A 125 3.381 -10.981 -4.700 1.00 42.25 H new ATOM 0 HA ASP A 125 3.728 -11.832 -2.080 1.00 3.31 H new ATOM 0 HB2 ASP A 125 1.240 -11.464 -1.968 1.00 50.12 H new ATOM 0 HB3 ASP A 125 2.116 -10.123 -2.679 1.00 50.12 H new ATOM 1795 N ARG A 126 2.371 -14.093 -4.091 1.00 11.22 N ATOM 1796 CA ARG A 126 1.977 -15.496 -4.199 1.00 41.22 C ATOM 1797 C ARG A 126 0.692 -15.787 -3.437 1.00 60.04 C ATOM 1798 O ARG A 126 0.445 -16.924 -3.009 1.00 64.04 O ATOM 1799 CB ARG A 126 3.120 -16.351 -3.730 1.00 72.55 C ATOM 1800 CG ARG A 126 4.197 -16.363 -4.756 1.00 72.15 C ATOM 1801 CD ARG A 126 5.477 -16.810 -4.206 1.00 64.23 C ATOM 1802 NE ARG A 126 6.041 -15.772 -3.340 1.00 23.11 N ATOM 1803 CZ ARG A 126 7.137 -15.866 -2.610 1.00 12.54 C ATOM 1804 NH1 ARG A 126 7.823 -17.002 -2.566 1.00 51.33 N ATOM 1805 NH2 ARG A 126 7.557 -14.802 -1.935 1.00 13.32 N ATOM 0 H ARG A 126 2.383 -13.595 -4.981 1.00 11.22 H new ATOM 0 HA ARG A 126 1.758 -15.731 -5.241 1.00 41.22 H new ATOM 0 HB2 ARG A 126 3.509 -15.968 -2.786 1.00 72.55 H new ATOM 0 HB3 ARG A 126 2.773 -17.367 -3.543 1.00 72.55 H new ATOM 0 HG2 ARG A 126 3.907 -17.018 -5.577 1.00 72.15 H new ATOM 0 HG3 ARG A 126 4.312 -15.362 -5.172 1.00 72.15 H new ATOM 0 HD2 ARG A 126 5.337 -17.731 -3.640 1.00 64.23 H new ATOM 0 HD3 ARG A 126 6.171 -17.036 -5.016 1.00 64.23 H new ATOM 0 HE ARG A 126 5.536 -14.887 -3.297 1.00 23.11 H new ATOM 0 HH11 ARG A 126 7.504 -17.811 -3.099 1.00 51.33 H new ATOM 0 HH12 ARG A 126 8.669 -17.065 -1.999 1.00 51.33 H new ATOM 0 HH21 ARG A 126 7.034 -13.927 -1.985 1.00 13.32 H new ATOM 0 HH22 ARG A 126 8.402 -14.859 -1.367 1.00 13.32 H new ATOM 1817 N LEU A 127 -0.176 -14.785 -3.360 1.00 75.03 N ATOM 1818 CA LEU A 127 -1.387 -14.879 -2.577 1.00 32.44 C ATOM 1819 C LEU A 127 -2.606 -14.691 -3.480 1.00 30.40 C ATOM 1820 O LEU A 127 -2.469 -14.341 -4.654 1.00 62.15 O ATOM 1821 CB LEU A 127 -1.378 -13.799 -1.482 1.00 70.34 C ATOM 1822 CG LEU A 127 -0.163 -13.792 -0.532 1.00 14.11 C ATOM 1823 CD1 LEU A 127 -0.271 -12.667 0.474 1.00 55.23 C ATOM 1824 CD2 LEU A 127 -0.001 -15.125 0.179 1.00 32.21 C ATOM 0 H LEU A 127 -0.055 -13.892 -3.838 1.00 75.03 H new ATOM 0 HA LEU A 127 -1.438 -15.863 -2.112 1.00 32.44 H new ATOM 0 HB2 LEU A 127 -1.439 -12.824 -1.964 1.00 70.34 H new ATOM 0 HB3 LEU A 127 -2.280 -13.915 -0.881 1.00 70.34 H new ATOM 0 HG LEU A 127 0.725 -13.629 -1.142 1.00 14.11 H new ATOM 0 HD11 LEU A 127 0.597 -12.683 1.133 1.00 55.23 H new ATOM 0 HD12 LEU A 127 -0.311 -11.712 -0.051 1.00 55.23 H new ATOM 0 HD13 LEU A 127 -1.178 -12.794 1.066 1.00 55.23 H new ATOM 0 HD21 LEU A 127 0.865 -15.082 0.840 1.00 32.21 H new ATOM 0 HD22 LEU A 127 -0.895 -15.335 0.766 1.00 32.21 H new ATOM 0 HD23 LEU A 127 0.143 -15.915 -0.558 1.00 32.21 H new ATOM 1832 N GLN A 128 -3.789 -14.976 -2.949 1.00 43.24 N ATOM 1833 CA GLN A 128 -5.033 -14.761 -3.676 1.00 2.45 C ATOM 1834 C GLN A 128 -5.674 -13.464 -3.257 1.00 65.33 C ATOM 1835 O GLN A 128 -5.879 -13.223 -2.049 1.00 51.13 O ATOM 1836 CB GLN A 128 -6.077 -15.908 -3.530 1.00 10.30 C ATOM 1837 CG GLN A 128 -5.877 -17.190 -4.368 1.00 32.23 C ATOM 1838 CD GLN A 128 -4.799 -18.173 -3.904 1.00 22.21 C ATOM 1839 OE1 GLN A 128 -3.767 -17.709 -3.297 1.00 43.01 O flip ATOM 1840 NE2 GLN A 128 -4.922 -19.375 -4.123 1.00 2.24 N flip ATOM 0 H GLN A 128 -3.912 -15.359 -2.012 1.00 43.24 H new ATOM 0 HA GLN A 128 -4.741 -14.734 -4.726 1.00 2.45 H new ATOM 0 HB2 GLN A 128 -6.107 -16.198 -2.480 1.00 10.30 H new ATOM 0 HB3 GLN A 128 -7.057 -15.499 -3.776 1.00 10.30 H new ATOM 0 HG2 GLN A 128 -6.827 -17.723 -4.401 1.00 32.23 H new ATOM 0 HG3 GLN A 128 -5.644 -16.892 -5.390 1.00 32.23 H new ATOM 0 HE21 GLN A 128 -5.750 -19.723 -4.607 1.00 2.24 H new ATOM 0 HE22 GLN A 128 -4.196 -20.025 -3.821 1.00 2.24 H new ATOM 1848 N TRP A 129 -6.023 -12.659 -4.234 1.00 13.04 N ATOM 1849 CA TRP A 129 -6.653 -11.364 -4.023 1.00 63.10 C ATOM 1850 C TRP A 129 -7.990 -11.505 -3.320 1.00 73.42 C ATOM 1851 O TRP A 129 -8.384 -10.617 -2.567 1.00 31.33 O ATOM 1852 CB TRP A 129 -6.771 -10.587 -5.353 1.00 35.54 C ATOM 1853 CG TRP A 129 -7.463 -9.257 -5.238 1.00 64.52 C ATOM 1854 CD1 TRP A 129 -8.743 -8.971 -5.602 1.00 71.54 C ATOM 1855 CD2 TRP A 129 -6.918 -8.043 -4.708 1.00 52.03 C ATOM 1856 NE1 TRP A 129 -9.029 -7.665 -5.335 1.00 2.45 N ATOM 1857 CE2 TRP A 129 -7.927 -7.069 -4.786 1.00 53.31 C ATOM 1858 CE3 TRP A 129 -5.680 -7.687 -4.178 1.00 42.31 C ATOM 1859 CZ2 TRP A 129 -7.739 -5.764 -4.348 1.00 72.02 C ATOM 1860 CZ3 TRP A 129 -5.492 -6.389 -3.746 1.00 5.43 C ATOM 1861 CH2 TRP A 129 -6.515 -5.443 -3.833 1.00 72.00 C ATOM 0 H TRP A 129 -5.877 -12.885 -5.218 1.00 13.04 H new ATOM 0 HA TRP A 129 -6.013 -10.779 -3.362 1.00 63.10 H new ATOM 0 HB2 TRP A 129 -5.771 -10.428 -5.757 1.00 35.54 H new ATOM 0 HB3 TRP A 129 -7.311 -11.203 -6.072 1.00 35.54 H new ATOM 0 HD1 TRP A 129 -9.433 -9.677 -6.040 1.00 71.54 H new ATOM 0 HE1 TRP A 129 -9.922 -7.206 -5.516 1.00 2.45 H new ATOM 0 HE3 TRP A 129 -4.883 -8.412 -4.106 1.00 42.31 H new ATOM 0 HZ2 TRP A 129 -8.530 -5.031 -4.412 1.00 72.02 H new ATOM 0 HZ3 TRP A 129 -4.537 -6.100 -3.333 1.00 5.43 H new ATOM 0 HH2 TRP A 129 -6.335 -4.436 -3.486 1.00 72.00 H new ATOM 1872 N GLU A 130 -8.663 -12.632 -3.545 1.00 2.05 N ATOM 1873 CA GLU A 130 -9.919 -12.943 -2.859 1.00 43.42 C ATOM 1874 C GLU A 130 -9.762 -12.747 -1.353 1.00 23.25 C ATOM 1875 O GLU A 130 -10.579 -12.092 -0.706 1.00 32.04 O ATOM 1876 CB GLU A 130 -10.303 -14.390 -3.108 1.00 21.21 C ATOM 1877 CG GLU A 130 -10.591 -14.748 -4.546 1.00 20.11 C ATOM 1878 CD GLU A 130 -10.872 -16.214 -4.688 1.00 11.24 C ATOM 1879 OE1 GLU A 130 -11.959 -16.660 -4.268 1.00 31.35 O ATOM 1880 OE2 GLU A 130 -9.991 -16.958 -5.169 1.00 10.32 O ATOM 0 H GLU A 130 -8.358 -13.350 -4.202 1.00 2.05 H new ATOM 0 HA GLU A 130 -10.690 -12.276 -3.245 1.00 43.42 H new ATOM 0 HB2 GLU A 130 -9.497 -15.029 -2.747 1.00 21.21 H new ATOM 0 HB3 GLU A 130 -11.185 -14.622 -2.511 1.00 21.21 H new ATOM 0 HG2 GLU A 130 -11.446 -14.174 -4.903 1.00 20.11 H new ATOM 0 HG3 GLU A 130 -9.740 -14.475 -5.170 1.00 20.11 H new ATOM 1887 N ASN A 131 -8.686 -13.293 -0.817 1.00 41.04 N ATOM 1888 CA ASN A 131 -8.427 -13.224 0.617 1.00 22.40 C ATOM 1889 C ASN A 131 -7.957 -11.842 1.000 1.00 61.41 C ATOM 1890 O ASN A 131 -8.439 -11.266 1.957 1.00 52.25 O ATOM 1891 CB ASN A 131 -7.352 -14.226 1.042 1.00 0.12 C ATOM 1892 CG ASN A 131 -7.639 -15.646 0.632 1.00 31.33 C ATOM 1893 OD1 ASN A 131 -7.145 -16.012 -0.523 1.00 64.14 O flip ATOM 1894 ND2 ASN A 131 -8.278 -16.414 1.354 1.00 71.12 N flip ATOM 0 H ASN A 131 -7.974 -13.791 -1.351 1.00 41.04 H new ATOM 0 HA ASN A 131 -9.363 -13.463 1.122 1.00 22.40 H new ATOM 0 HB2 ASN A 131 -6.397 -13.921 0.614 1.00 0.12 H new ATOM 0 HB3 ASN A 131 -7.242 -14.187 2.126 1.00 0.12 H new ATOM 0 HD21 ASN A 131 -8.646 -16.087 2.247 1.00 71.12 H new ATOM 0 HD22 ASN A 131 -8.439 -17.377 1.058 1.00 71.12 H new ATOM 1900 N VAL A 132 -7.015 -11.304 0.223 1.00 61.00 N ATOM 1901 CA VAL A 132 -6.403 -10.008 0.526 1.00 5.31 C ATOM 1902 C VAL A 132 -7.442 -8.889 0.539 1.00 5.21 C ATOM 1903 O VAL A 132 -7.542 -8.148 1.500 1.00 63.43 O ATOM 1904 CB VAL A 132 -5.266 -9.656 -0.468 1.00 43.00 C ATOM 1905 CG1 VAL A 132 -4.614 -8.327 -0.095 1.00 14.42 C ATOM 1906 CG2 VAL A 132 -4.224 -10.765 -0.513 1.00 33.45 C ATOM 0 H VAL A 132 -6.658 -11.747 -0.624 1.00 61.00 H new ATOM 0 HA VAL A 132 -5.970 -10.097 1.522 1.00 5.31 H new ATOM 0 HB VAL A 132 -5.705 -9.558 -1.461 1.00 43.00 H new ATOM 0 HG11 VAL A 132 -3.819 -8.100 -0.805 1.00 14.42 H new ATOM 0 HG12 VAL A 132 -5.362 -7.535 -0.121 1.00 14.42 H new ATOM 0 HG13 VAL A 132 -4.195 -8.397 0.909 1.00 14.42 H new ATOM 0 HG21 VAL A 132 -3.436 -10.496 -1.217 1.00 33.45 H new ATOM 0 HG22 VAL A 132 -3.793 -10.900 0.479 1.00 33.45 H new ATOM 0 HG23 VAL A 132 -4.695 -11.694 -0.834 1.00 33.45 H new ATOM 1912 N SER A 133 -8.222 -8.805 -0.513 1.00 74.24 N ATOM 1913 CA SER A 133 -9.246 -7.792 -0.639 1.00 63.00 C ATOM 1914 C SER A 133 -10.276 -7.893 0.511 1.00 51.11 C ATOM 1915 O SER A 133 -10.702 -6.877 1.071 1.00 74.30 O ATOM 1916 CB SER A 133 -9.900 -7.897 -2.038 1.00 45.44 C ATOM 1917 OG SER A 133 -10.956 -6.970 -2.232 1.00 43.01 O ATOM 0 H SER A 133 -8.165 -9.440 -1.310 1.00 74.24 H new ATOM 0 HA SER A 133 -8.795 -6.803 -0.552 1.00 63.00 H new ATOM 0 HB2 SER A 133 -9.139 -7.735 -2.801 1.00 45.44 H new ATOM 0 HB3 SER A 133 -10.282 -8.908 -2.178 1.00 45.44 H new ATOM 0 HG SER A 133 -11.109 -6.844 -3.192 1.00 43.01 H new ATOM 1923 N ALA A 134 -10.623 -9.121 0.899 1.00 54.22 N ATOM 1924 CA ALA A 134 -11.572 -9.330 1.988 1.00 44.31 C ATOM 1925 C ALA A 134 -10.934 -8.961 3.323 1.00 13.22 C ATOM 1926 O ALA A 134 -11.602 -8.458 4.236 1.00 25.20 O ATOM 1927 CB ALA A 134 -12.055 -10.765 2.001 1.00 75.51 C ATOM 0 H ALA A 134 -10.264 -9.978 0.478 1.00 54.22 H new ATOM 0 HA ALA A 134 -12.435 -8.683 1.829 1.00 44.31 H new ATOM 0 HB1 ALA A 134 -12.762 -10.904 2.819 1.00 75.51 H new ATOM 0 HB2 ALA A 134 -12.546 -10.992 1.055 1.00 75.51 H new ATOM 0 HB3 ALA A 134 -11.205 -11.434 2.139 1.00 75.51 H new ATOM 1933 N MET A 135 -9.646 -9.219 3.419 1.00 21.22 N ATOM 1934 CA MET A 135 -8.845 -8.881 4.577 1.00 25.14 C ATOM 1935 C MET A 135 -8.814 -7.365 4.744 1.00 10.11 C ATOM 1936 O MET A 135 -9.057 -6.848 5.830 1.00 62.24 O ATOM 1937 CB MET A 135 -7.422 -9.403 4.375 1.00 24.31 C ATOM 1938 CG MET A 135 -6.475 -9.140 5.522 1.00 23.35 C ATOM 1939 SD MET A 135 -4.764 -9.560 5.111 1.00 1.52 S ATOM 1940 CE MET A 135 -4.874 -11.299 4.752 1.00 1.54 C ATOM 0 H MET A 135 -9.116 -9.679 2.679 1.00 21.22 H new ATOM 0 HA MET A 135 -9.276 -9.335 5.469 1.00 25.14 H new ATOM 0 HB2 MET A 135 -7.467 -10.478 4.200 1.00 24.31 H new ATOM 0 HB3 MET A 135 -7.010 -8.951 3.473 1.00 24.31 H new ATOM 0 HG2 MET A 135 -6.531 -8.088 5.802 1.00 23.35 H new ATOM 0 HG3 MET A 135 -6.790 -9.719 6.390 1.00 23.35 H new ATOM 0 HE1 MET A 135 -3.888 -11.679 4.485 1.00 1.54 H new ATOM 0 HE2 MET A 135 -5.241 -11.829 5.631 1.00 1.54 H new ATOM 0 HE3 MET A 135 -5.561 -11.456 3.920 1.00 1.54 H new ATOM 1950 N ILE A 136 -8.528 -6.669 3.648 1.00 10.31 N ATOM 1951 CA ILE A 136 -8.472 -5.220 3.621 1.00 74.14 C ATOM 1952 C ILE A 136 -9.821 -4.615 4.044 1.00 61.23 C ATOM 1953 O ILE A 136 -9.863 -3.730 4.907 1.00 44.32 O ATOM 1954 CB ILE A 136 -8.058 -4.704 2.214 1.00 64.40 C ATOM 1955 CG1 ILE A 136 -6.674 -5.246 1.830 1.00 14.34 C ATOM 1956 CG2 ILE A 136 -8.040 -3.185 2.181 1.00 31.42 C ATOM 1957 CD1 ILE A 136 -6.230 -4.885 0.427 1.00 40.03 C ATOM 0 H ILE A 136 -8.327 -7.104 2.747 1.00 10.31 H new ATOM 0 HA ILE A 136 -7.713 -4.900 4.335 1.00 74.14 H new ATOM 0 HB ILE A 136 -8.794 -5.062 1.494 1.00 64.40 H new ATOM 0 HG12 ILE A 136 -5.939 -4.867 2.540 1.00 14.34 H new ATOM 0 HG13 ILE A 136 -6.682 -6.332 1.928 1.00 14.34 H new ATOM 0 HG21 ILE A 136 -7.748 -2.846 1.187 1.00 31.42 H new ATOM 0 HG22 ILE A 136 -9.034 -2.804 2.417 1.00 31.42 H new ATOM 0 HG23 ILE A 136 -7.326 -2.814 2.916 1.00 31.42 H new ATOM 0 HD11 ILE A 136 -5.243 -5.307 0.238 1.00 40.03 H new ATOM 0 HD12 ILE A 136 -6.941 -5.287 -0.295 1.00 40.03 H new ATOM 0 HD13 ILE A 136 -6.186 -3.800 0.327 1.00 40.03 H new ATOM 1964 N GLU A 137 -10.927 -5.115 3.467 1.00 51.41 N ATOM 1965 CA GLU A 137 -12.260 -4.622 3.842 1.00 42.13 C ATOM 1966 C GLU A 137 -12.566 -4.867 5.321 1.00 33.21 C ATOM 1967 O GLU A 137 -13.323 -4.121 5.925 1.00 72.32 O ATOM 1968 CB GLU A 137 -13.396 -5.179 2.964 1.00 64.24 C ATOM 1969 CG GLU A 137 -13.335 -4.775 1.497 1.00 70.12 C ATOM 1970 CD GLU A 137 -14.594 -5.162 0.745 1.00 22.14 C ATOM 1971 OE1 GLU A 137 -14.732 -6.336 0.340 1.00 42.25 O ATOM 1972 OE2 GLU A 137 -15.489 -4.292 0.568 1.00 55.24 O ATOM 0 H GLU A 137 -10.925 -5.845 2.754 1.00 51.41 H new ATOM 0 HA GLU A 137 -12.221 -3.547 3.665 1.00 42.13 H new ATOM 0 HB2 GLU A 137 -13.382 -6.267 3.026 1.00 64.24 H new ATOM 0 HB3 GLU A 137 -14.349 -4.848 3.377 1.00 64.24 H new ATOM 0 HG2 GLU A 137 -13.187 -3.698 1.424 1.00 70.12 H new ATOM 0 HG3 GLU A 137 -12.473 -5.248 1.027 1.00 70.12 H new ATOM 1979 N GLU A 138 -11.995 -5.917 5.884 1.00 63.30 N ATOM 1980 CA GLU A 138 -12.169 -6.234 7.269 1.00 24.32 C ATOM 1981 C GLU A 138 -11.354 -5.263 8.158 1.00 41.33 C ATOM 1982 O GLU A 138 -11.849 -4.754 9.151 1.00 61.03 O ATOM 1983 CB GLU A 138 -11.731 -7.676 7.504 1.00 45.14 C ATOM 1984 CG GLU A 138 -11.883 -8.133 8.916 1.00 35.41 C ATOM 1985 CD GLU A 138 -11.422 -9.545 9.124 1.00 22.42 C ATOM 1986 OE1 GLU A 138 -10.205 -9.765 9.236 1.00 72.33 O ATOM 1987 OE2 GLU A 138 -12.259 -10.456 9.186 1.00 75.31 O ATOM 0 H GLU A 138 -11.396 -6.571 5.380 1.00 63.30 H new ATOM 0 HA GLU A 138 -13.220 -6.125 7.538 1.00 24.32 H new ATOM 0 HB2 GLU A 138 -12.312 -8.332 6.856 1.00 45.14 H new ATOM 0 HB3 GLU A 138 -10.687 -7.781 7.209 1.00 45.14 H new ATOM 0 HG2 GLU A 138 -11.316 -7.471 9.570 1.00 35.41 H new ATOM 0 HG3 GLU A 138 -12.930 -8.051 9.209 1.00 35.41 H new ATOM 1994 N VAL A 139 -10.113 -5.017 7.775 1.00 72.41 N ATOM 1995 CA VAL A 139 -9.217 -4.128 8.530 1.00 2.33 C ATOM 1996 C VAL A 139 -9.746 -2.681 8.548 1.00 1.10 C ATOM 1997 O VAL A 139 -9.772 -2.015 9.591 1.00 24.45 O ATOM 1998 CB VAL A 139 -7.771 -4.143 7.916 1.00 3.31 C ATOM 1999 CG1 VAL A 139 -6.855 -3.175 8.633 1.00 0.43 C ATOM 2000 CG2 VAL A 139 -7.175 -5.536 7.965 1.00 5.35 C ATOM 0 H VAL A 139 -9.691 -5.420 6.939 1.00 72.41 H new ATOM 0 HA VAL A 139 -9.180 -4.501 9.554 1.00 2.33 H new ATOM 0 HB VAL A 139 -7.861 -3.830 6.876 1.00 3.31 H new ATOM 0 HG11 VAL A 139 -5.863 -3.211 8.183 1.00 0.43 H new ATOM 0 HG12 VAL A 139 -7.255 -2.165 8.548 1.00 0.43 H new ATOM 0 HG13 VAL A 139 -6.786 -3.451 9.685 1.00 0.43 H new ATOM 0 HG21 VAL A 139 -6.174 -5.519 7.534 1.00 5.35 H new ATOM 0 HG22 VAL A 139 -7.118 -5.871 9.001 1.00 5.35 H new ATOM 0 HG23 VAL A 139 -7.803 -6.221 7.396 1.00 5.35 H new ATOM 2006 N PHE A 140 -10.177 -2.229 7.408 1.00 61.45 N ATOM 2007 CA PHE A 140 -10.621 -0.860 7.208 1.00 61.30 C ATOM 2008 C PHE A 140 -12.144 -0.699 7.322 1.00 22.34 C ATOM 2009 O PHE A 140 -12.689 0.362 6.971 1.00 3.33 O ATOM 2010 CB PHE A 140 -10.104 -0.325 5.865 1.00 52.34 C ATOM 2011 CG PHE A 140 -8.598 -0.243 5.802 1.00 0.33 C ATOM 2012 CD1 PHE A 140 -7.943 0.902 6.214 1.00 74.21 C ATOM 2013 CD2 PHE A 140 -7.843 -1.308 5.344 1.00 15.23 C ATOM 2014 CE1 PHE A 140 -6.567 0.983 6.171 1.00 53.23 C ATOM 2015 CE2 PHE A 140 -6.468 -1.234 5.301 1.00 43.42 C ATOM 2016 CZ PHE A 140 -5.830 -0.086 5.716 1.00 24.45 C ATOM 0 H PHE A 140 -10.235 -2.804 6.568 1.00 61.45 H new ATOM 0 HA PHE A 140 -10.195 -0.264 8.016 1.00 61.30 H new ATOM 0 HB2 PHE A 140 -10.461 -0.970 5.062 1.00 52.34 H new ATOM 0 HB3 PHE A 140 -10.524 0.665 5.689 1.00 52.34 H new ATOM 0 HD1 PHE A 140 -8.516 1.744 6.574 1.00 74.21 H new ATOM 0 HD2 PHE A 140 -8.338 -2.210 5.016 1.00 15.23 H new ATOM 0 HE1 PHE A 140 -6.068 1.885 6.494 1.00 53.23 H new ATOM 0 HE2 PHE A 140 -5.892 -2.074 4.943 1.00 43.42 H new ATOM 0 HZ PHE A 140 -4.752 -0.025 5.684 1.00 24.45 H new ATOM 2026 N GLU A 141 -12.815 -1.731 7.847 1.00 51.44 N ATOM 2027 CA GLU A 141 -14.298 -1.821 7.866 1.00 3.23 C ATOM 2028 C GLU A 141 -15.015 -0.572 8.413 1.00 42.01 C ATOM 2029 O GLU A 141 -16.046 -0.159 7.878 1.00 23.14 O ATOM 2030 CB GLU A 141 -14.773 -3.048 8.665 1.00 24.34 C ATOM 2031 CG GLU A 141 -14.414 -2.999 10.149 1.00 23.23 C ATOM 2032 CD GLU A 141 -15.040 -4.108 10.940 1.00 24.23 C ATOM 2033 OE1 GLU A 141 -16.278 -4.136 11.046 1.00 24.14 O ATOM 2034 OE2 GLU A 141 -14.317 -4.928 11.513 1.00 42.41 O ATOM 0 H GLU A 141 -12.353 -2.534 8.274 1.00 51.44 H new ATOM 0 HA GLU A 141 -14.571 -1.912 6.815 1.00 3.23 H new ATOM 0 HB2 GLU A 141 -15.855 -3.137 8.566 1.00 24.34 H new ATOM 0 HB3 GLU A 141 -14.338 -3.946 8.226 1.00 24.34 H new ATOM 0 HG2 GLU A 141 -13.331 -3.050 10.257 1.00 23.23 H new ATOM 0 HG3 GLU A 141 -14.731 -2.042 10.562 1.00 23.23 H new ATOM 2041 N ALA A 142 -14.479 0.009 9.440 1.00 14.21 N ATOM 2042 CA ALA A 142 -15.128 1.137 10.091 1.00 62.32 C ATOM 2043 C ALA A 142 -14.287 2.393 9.998 1.00 72.24 C ATOM 2044 O ALA A 142 -14.498 3.355 10.729 1.00 21.32 O ATOM 2045 CB ALA A 142 -15.452 0.798 11.542 1.00 54.23 C ATOM 0 H ALA A 142 -13.591 -0.270 9.858 1.00 14.21 H new ATOM 0 HA ALA A 142 -16.063 1.336 9.567 1.00 62.32 H new ATOM 0 HB1 ALA A 142 -15.937 1.652 12.015 1.00 54.23 H new ATOM 0 HB2 ALA A 142 -16.120 -0.063 11.574 1.00 54.23 H new ATOM 0 HB3 ALA A 142 -14.531 0.562 12.075 1.00 54.23 H new ATOM 2051 N THR A 143 -13.356 2.405 9.084 1.00 40.31 N ATOM 2052 CA THR A 143 -12.544 3.573 8.898 1.00 32.44 C ATOM 2053 C THR A 143 -13.022 4.322 7.681 1.00 44.44 C ATOM 2054 O THR A 143 -13.643 3.736 6.793 1.00 12.31 O ATOM 2055 CB THR A 143 -11.043 3.234 8.755 1.00 14.53 C ATOM 2056 OG1 THR A 143 -10.835 2.342 7.659 1.00 43.00 O ATOM 2057 CG2 THR A 143 -10.502 2.603 10.022 1.00 50.20 C ATOM 0 H THR A 143 -13.143 1.626 8.462 1.00 40.31 H new ATOM 0 HA THR A 143 -12.646 4.193 9.789 1.00 32.44 H new ATOM 0 HB THR A 143 -10.511 4.167 8.572 1.00 14.53 H new ATOM 0 HG1 THR A 143 -11.652 1.826 7.498 1.00 43.00 H new ATOM 0 HG21 THR A 143 -9.444 2.375 9.892 1.00 50.20 H new ATOM 0 HG22 THR A 143 -10.624 3.296 10.854 1.00 50.20 H new ATOM 0 HG23 THR A 143 -11.048 1.683 10.232 1.00 50.20 H new ATOM 2063 N ASP A 144 -12.726 5.594 7.620 1.00 23.40 N ATOM 2064 CA ASP A 144 -13.144 6.421 6.493 1.00 55.11 C ATOM 2065 C ASP A 144 -12.103 6.387 5.417 1.00 72.41 C ATOM 2066 O ASP A 144 -12.226 7.055 4.389 1.00 21.22 O ATOM 2067 CB ASP A 144 -13.400 7.865 6.920 1.00 15.53 C ATOM 2068 CG ASP A 144 -14.533 7.995 7.901 1.00 14.35 C ATOM 2069 OD1 ASP A 144 -15.696 8.108 7.467 1.00 10.30 O ATOM 2070 OD2 ASP A 144 -14.278 7.983 9.120 1.00 13.35 O ATOM 0 H ASP A 144 -12.195 6.091 8.335 1.00 23.40 H new ATOM 0 HA ASP A 144 -14.079 6.012 6.110 1.00 55.11 H new ATOM 0 HB2 ASP A 144 -12.492 8.273 7.365 1.00 15.53 H new ATOM 0 HB3 ASP A 144 -13.620 8.466 6.037 1.00 15.53 H new ATOM 2075 N ILE A 145 -11.080 5.595 5.659 1.00 52.01 N ATOM 2076 CA ILE A 145 -10.010 5.403 4.724 1.00 22.33 C ATOM 2077 C ILE A 145 -10.574 4.711 3.498 1.00 4.11 C ATOM 2078 O ILE A 145 -11.143 3.616 3.588 1.00 13.23 O ATOM 2079 CB ILE A 145 -8.888 4.541 5.352 1.00 31.42 C ATOM 2080 CG1 ILE A 145 -8.395 5.207 6.646 1.00 61.54 C ATOM 2081 CG2 ILE A 145 -7.728 4.366 4.361 1.00 63.33 C ATOM 2082 CD1 ILE A 145 -7.380 4.397 7.417 1.00 60.55 C ATOM 0 H ILE A 145 -10.974 5.063 6.523 1.00 52.01 H new ATOM 0 HA ILE A 145 -9.579 6.366 4.451 1.00 22.33 H new ATOM 0 HB ILE A 145 -9.284 3.553 5.587 1.00 31.42 H new ATOM 0 HG12 ILE A 145 -7.958 6.174 6.399 1.00 61.54 H new ATOM 0 HG13 ILE A 145 -9.253 5.400 7.290 1.00 61.54 H new ATOM 0 HG21 ILE A 145 -6.948 3.758 4.818 1.00 63.33 H new ATOM 0 HG22 ILE A 145 -8.091 3.873 3.459 1.00 63.33 H new ATOM 0 HG23 ILE A 145 -7.321 5.343 4.101 1.00 63.33 H new ATOM 0 HD11 ILE A 145 -7.087 4.941 8.315 1.00 60.55 H new ATOM 0 HD12 ILE A 145 -7.817 3.439 7.699 1.00 60.55 H new ATOM 0 HD13 ILE A 145 -6.502 4.225 6.794 1.00 60.55 H new ATOM 2089 N LYS A 146 -10.445 5.352 2.385 1.00 75.12 N ATOM 2090 CA LYS A 146 -10.989 4.860 1.162 1.00 32.42 C ATOM 2091 C LYS A 146 -9.823 4.417 0.305 1.00 5.32 C ATOM 2092 O LYS A 146 -8.943 5.229 -0.040 1.00 5.52 O ATOM 2093 CB LYS A 146 -11.801 5.996 0.485 1.00 74.10 C ATOM 2094 CG LYS A 146 -12.727 5.586 -0.692 1.00 3.31 C ATOM 2095 CD LYS A 146 -11.998 5.071 -1.952 1.00 0.43 C ATOM 2096 CE LYS A 146 -11.243 6.161 -2.732 1.00 54.51 C ATOM 2097 NZ LYS A 146 -10.184 6.817 -1.948 1.00 21.40 N ATOM 0 H LYS A 146 -9.954 6.242 2.297 1.00 75.12 H new ATOM 0 HA LYS A 146 -11.664 4.018 1.318 1.00 32.42 H new ATOM 0 HB2 LYS A 146 -12.413 6.478 1.248 1.00 74.10 H new ATOM 0 HB3 LYS A 146 -11.099 6.745 0.120 1.00 74.10 H new ATOM 0 HG2 LYS A 146 -13.409 4.810 -0.344 1.00 3.31 H new ATOM 0 HG3 LYS A 146 -13.337 6.446 -0.970 1.00 3.31 H new ATOM 0 HD2 LYS A 146 -11.292 4.295 -1.658 1.00 0.43 H new ATOM 0 HD3 LYS A 146 -12.727 4.604 -2.615 1.00 0.43 H new ATOM 0 HE2 LYS A 146 -10.802 5.718 -3.625 1.00 54.51 H new ATOM 0 HE3 LYS A 146 -11.955 6.915 -3.069 1.00 54.51 H new ATOM 0 HZ1 LYS A 146 -9.491 7.247 -2.593 1.00 21.40 H new ATOM 0 HZ2 LYS A 146 -10.603 7.556 -1.348 1.00 21.40 H new ATOM 0 HZ3 LYS A 146 -9.709 6.112 -1.349 1.00 21.40 H new ATOM 2111 N ILE A 147 -9.807 3.171 -0.046 1.00 74.12 N ATOM 2112 CA ILE A 147 -8.716 2.619 -0.785 1.00 31.25 C ATOM 2113 C ILE A 147 -9.032 2.499 -2.252 1.00 3.14 C ATOM 2114 O ILE A 147 -10.094 2.017 -2.651 1.00 43.45 O ATOM 2115 CB ILE A 147 -8.262 1.270 -0.185 1.00 41.32 C ATOM 2116 CG1 ILE A 147 -7.683 1.535 1.202 1.00 72.45 C ATOM 2117 CG2 ILE A 147 -7.242 0.569 -1.084 1.00 21.30 C ATOM 2118 CD1 ILE A 147 -7.247 0.302 1.953 1.00 72.15 C ATOM 0 H ILE A 147 -10.550 2.507 0.171 1.00 74.12 H new ATOM 0 HA ILE A 147 -7.881 3.315 -0.701 1.00 31.25 H new ATOM 0 HB ILE A 147 -9.118 0.600 -0.108 1.00 41.32 H new ATOM 0 HG12 ILE A 147 -6.828 2.203 1.101 1.00 72.45 H new ATOM 0 HG13 ILE A 147 -8.430 2.061 1.797 1.00 72.45 H new ATOM 0 HG21 ILE A 147 -6.946 -0.376 -0.630 1.00 21.30 H new ATOM 0 HG22 ILE A 147 -7.688 0.379 -2.060 1.00 21.30 H new ATOM 0 HG23 ILE A 147 -6.365 1.205 -1.204 1.00 21.30 H new ATOM 0 HD11 ILE A 147 -6.850 0.590 2.926 1.00 72.15 H new ATOM 0 HD12 ILE A 147 -8.101 -0.361 2.091 1.00 72.15 H new ATOM 0 HD13 ILE A 147 -6.474 -0.216 1.385 1.00 72.15 H new ATOM 2125 N THR A 148 -8.125 2.962 -3.028 1.00 51.30 N ATOM 2126 CA THR A 148 -8.235 2.945 -4.444 1.00 2.01 C ATOM 2127 C THR A 148 -7.215 1.947 -4.986 1.00 73.44 C ATOM 2128 O THR A 148 -6.024 2.074 -4.718 1.00 10.54 O ATOM 2129 CB THR A 148 -7.896 4.344 -4.994 1.00 43.24 C ATOM 2130 OG1 THR A 148 -8.646 5.344 -4.279 1.00 41.43 O ATOM 2131 CG2 THR A 148 -8.243 4.436 -6.465 1.00 32.43 C ATOM 0 H THR A 148 -7.257 3.377 -2.688 1.00 51.30 H new ATOM 0 HA THR A 148 -9.246 2.667 -4.742 1.00 2.01 H new ATOM 0 HB THR A 148 -6.827 4.512 -4.864 1.00 43.24 H new ATOM 0 HG1 THR A 148 -8.426 6.232 -4.631 1.00 41.43 H new ATOM 0 HG21 THR A 148 -7.997 5.431 -6.835 1.00 32.43 H new ATOM 0 HG22 THR A 148 -7.674 3.691 -7.020 1.00 32.43 H new ATOM 0 HG23 THR A 148 -9.309 4.253 -6.600 1.00 32.43 H new ATOM 2137 N VAL A 149 -7.655 0.948 -5.704 1.00 52.51 N ATOM 2138 CA VAL A 149 -6.710 0.022 -6.247 1.00 52.13 C ATOM 2139 C VAL A 149 -6.609 0.199 -7.741 1.00 31.44 C ATOM 2140 O VAL A 149 -7.622 0.173 -8.468 1.00 11.04 O ATOM 2141 CB VAL A 149 -6.964 -1.485 -5.872 1.00 15.23 C ATOM 2142 CG1 VAL A 149 -7.130 -1.667 -4.382 1.00 13.10 C ATOM 2143 CG2 VAL A 149 -8.107 -2.108 -6.637 1.00 53.04 C ATOM 0 H VAL A 149 -8.634 0.761 -5.920 1.00 52.51 H new ATOM 0 HA VAL A 149 -5.757 0.265 -5.777 1.00 52.13 H new ATOM 0 HB VAL A 149 -6.068 -2.024 -6.179 1.00 15.23 H new ATOM 0 HG11 VAL A 149 -7.304 -2.720 -4.161 1.00 13.10 H new ATOM 0 HG12 VAL A 149 -6.226 -1.333 -3.872 1.00 13.10 H new ATOM 0 HG13 VAL A 149 -7.980 -1.079 -4.036 1.00 13.10 H new ATOM 0 HG21 VAL A 149 -8.227 -3.147 -6.330 1.00 53.04 H new ATOM 0 HG22 VAL A 149 -9.026 -1.560 -6.429 1.00 53.04 H new ATOM 0 HG23 VAL A 149 -7.894 -2.068 -7.705 1.00 53.04 H new ATOM 2149 N TYR A 150 -5.422 0.423 -8.197 1.00 52.20 N ATOM 2150 CA TYR A 150 -5.193 0.547 -9.593 1.00 40.20 C ATOM 2151 C TYR A 150 -4.960 -0.799 -10.170 1.00 12.22 C ATOM 2152 O TYR A 150 -4.050 -1.540 -9.756 1.00 41.44 O ATOM 2153 CB TYR A 150 -4.080 1.532 -9.917 1.00 33.22 C ATOM 2154 CG TYR A 150 -4.487 2.975 -9.711 1.00 62.32 C ATOM 2155 CD1 TYR A 150 -4.385 3.592 -8.474 1.00 51.35 C ATOM 2156 CD2 TYR A 150 -4.983 3.718 -10.771 1.00 62.11 C ATOM 2157 CE1 TYR A 150 -4.764 4.909 -8.303 1.00 25.13 C ATOM 2158 CE2 TYR A 150 -5.362 5.029 -10.608 1.00 3.25 C ATOM 2159 CZ TYR A 150 -5.249 5.622 -9.373 1.00 62.41 C ATOM 2160 OH TYR A 150 -5.624 6.942 -9.208 1.00 20.42 O ATOM 0 H TYR A 150 -4.590 0.524 -7.615 1.00 52.20 H new ATOM 0 HA TYR A 150 -6.082 0.972 -10.059 1.00 40.20 H new ATOM 0 HB2 TYR A 150 -3.215 1.312 -9.292 1.00 33.22 H new ATOM 0 HB3 TYR A 150 -3.769 1.392 -10.952 1.00 33.22 H new ATOM 0 HD1 TYR A 150 -4.003 3.035 -7.631 1.00 51.35 H new ATOM 0 HD2 TYR A 150 -5.073 3.258 -11.744 1.00 62.11 H new ATOM 0 HE1 TYR A 150 -4.680 5.376 -7.333 1.00 25.13 H new ATOM 0 HE2 TYR A 150 -5.747 5.591 -11.446 1.00 3.25 H new ATOM 0 HH TYR A 150 -5.944 7.300 -10.062 1.00 20.42 H new ATOM 2170 N THR A 151 -5.782 -1.132 -11.092 1.00 70.40 N ATOM 2171 CA THR A 151 -5.777 -2.410 -11.645 1.00 34.15 C ATOM 2172 C THR A 151 -5.153 -2.388 -13.029 1.00 43.53 C ATOM 2173 O THR A 151 -5.659 -1.739 -13.962 1.00 31.02 O ATOM 2174 CB THR A 151 -7.230 -2.899 -11.722 1.00 60.22 C ATOM 2175 OG1 THR A 151 -7.837 -2.699 -10.435 1.00 60.31 O ATOM 2176 CG2 THR A 151 -7.289 -4.371 -12.051 1.00 45.20 C ATOM 0 H THR A 151 -6.485 -0.505 -11.483 1.00 70.40 H new ATOM 0 HA THR A 151 -5.185 -3.084 -11.025 1.00 34.15 H new ATOM 0 HB THR A 151 -7.750 -2.344 -12.503 1.00 60.22 H new ATOM 0 HG1 THR A 151 -8.768 -3.003 -10.462 1.00 60.31 H new ATOM 0 HG21 THR A 151 -8.330 -4.692 -12.099 1.00 45.20 H new ATOM 0 HG22 THR A 151 -6.810 -4.548 -13.014 1.00 45.20 H new ATOM 0 HG23 THR A 151 -6.770 -4.938 -11.278 1.00 45.20 H new ATOM 2182 N LEU A 152 -4.034 -3.049 -13.133 1.00 72.11 N ATOM 2183 CA LEU A 152 -3.372 -3.273 -14.377 1.00 25.42 C ATOM 2184 C LEU A 152 -3.369 -4.762 -14.613 1.00 32.44 C ATOM 2185 O LEU A 152 -4.195 -5.247 -15.394 1.00 37.71 O ATOM 2186 CB LEU A 152 -1.913 -2.746 -14.380 1.00 52.23 C ATOM 2187 CG LEU A 152 -1.687 -1.237 -14.208 1.00 1.32 C ATOM 2188 CD1 LEU A 152 -2.133 -0.757 -12.858 1.00 24.20 C ATOM 2189 CD2 LEU A 152 -0.229 -0.889 -14.464 1.00 60.52 C ATOM 2190 OXT LEU A 152 -2.584 -5.467 -13.938 1.00 37.71 O ATOM 0 H LEU A 152 -3.549 -3.455 -12.332 1.00 72.11 H new ATOM 0 HA LEU A 152 -3.899 -2.732 -15.163 1.00 25.42 H new ATOM 0 HB2 LEU A 152 -1.373 -3.257 -13.583 1.00 52.23 H new ATOM 0 HB3 LEU A 152 -1.452 -3.047 -15.321 1.00 52.23 H new ATOM 0 HG LEU A 152 -2.300 -0.720 -14.946 1.00 1.32 H new ATOM 0 HD11 LEU A 152 -1.956 0.315 -12.776 1.00 24.20 H new ATOM 0 HD12 LEU A 152 -3.197 -0.960 -12.733 1.00 24.20 H new ATOM 0 HD13 LEU A 152 -1.571 -1.277 -12.083 1.00 24.20 H new ATOM 0 HD21 LEU A 152 -0.084 0.184 -14.339 1.00 60.52 H new ATOM 0 HD22 LEU A 152 0.403 -1.426 -13.757 1.00 60.52 H new ATOM 0 HD23 LEU A 152 0.040 -1.175 -15.481 1.00 60.52 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.320 0.341 -11.890 1.00 51.12 N HETATM 2200 C2 APR A 186 0.340 -0.309 -11.253 1.00 31.21 C HETATM 2201 N3 APR A 186 0.400 -1.618 -11.060 1.00 42.04 N HETATM 2202 C4 APR A 186 1.443 -2.323 -11.499 1.00 51.31 C HETATM 2203 C5 APR A 186 2.460 -1.697 -12.158 1.00 11.41 C HETATM 2204 C6 APR A 186 2.391 -0.334 -12.351 1.00 44.30 C HETATM 2205 N6 APR A 186 3.363 0.304 -12.992 1.00 23.20 N HETATM 2206 N7 APR A 186 3.352 -2.615 -12.486 1.00 12.43 N HETATM 2207 C8 APR A 186 2.899 -3.796 -12.045 1.00 52.44 C HETATM 2208 N9 APR A 186 1.725 -3.602 -11.436 1.00 21.25 N HETATM 2209 C1' APR A 186 0.860 -4.657 -10.773 1.00 23.05 C HETATM 2210 C2' APR A 186 1.008 -6.016 -11.558 1.00 72.11 C HETATM 2211 O2' APR A 186 -0.125 -6.263 -12.333 1.00 54.11 O HETATM 2212 C3' APR A 186 1.137 -7.076 -10.418 1.00 52.44 C HETATM 2213 O3' APR A 186 0.192 -8.083 -10.573 1.00 60.35 O HETATM 2214 O4' APR A 186 1.246 -4.904 -9.414 1.00 14.51 O HETATM 2215 C4' APR A 186 0.846 -6.244 -9.119 1.00 34.15 C HETATM 2216 C5' APR A 186 1.631 -6.862 -7.918 1.00 10.20 C HETATM 2217 O5' APR A 186 3.038 -6.943 -8.181 1.00 15.15 O HETATM 2218 PA APR A 186 4.078 -7.045 -6.948 1.00 52.43 P HETATM 2219 O1A APR A 186 5.470 -6.608 -7.281 1.00 50.23 O HETATM 2220 O2A APR A 186 4.050 -8.586 -6.441 1.00 25.11 O HETATM 2221 O3A APR A 186 3.445 -6.149 -5.765 1.00 53.23 O HETATM 2222 PB APR A 186 4.251 -5.866 -4.399 1.00 14.12 P HETATM 2223 O1B APR A 186 3.400 -5.988 -3.180 1.00 55.32 O HETATM 2224 O2B APR A 186 4.878 -4.365 -4.505 1.00 11.42 O HETATM 2225 O5D APR A 186 5.499 -6.865 -4.368 1.00 71.15 O HETATM 2226 C5D APR A 186 5.462 -8.046 -3.572 1.00 33.53 C HETATM 2227 O4D APR A 186 7.872 -7.584 -3.194 1.00 44.21 O HETATM 2228 O1D APR A 186 9.753 -7.287 -1.709 1.00 64.42 O HETATM 2229 C1D APR A 186 9.007 -8.213 -2.552 1.00 42.22 C HETATM 2230 O2D APR A 186 9.103 -10.589 -1.934 1.00 52.33 O HETATM 2231 C2D APR A 186 8.442 -9.391 -1.655 1.00 54.34 C HETATM 2232 O3D APR A 186 6.494 -10.774 -2.279 1.00 60.21 O HETATM 2233 C3D APR A 186 6.947 -9.475 -2.074 1.00 4.41 C HETATM 2234 C4D APR A 186 6.900 -8.606 -3.376 1.00 5.43 C HETATM 0 HR'4 APR A 186 7.128 -9.173 -4.278 1.00 5.43 H new HETATM 0 HR'3 APR A 186 6.279 -9.116 -1.291 1.00 4.41 H new HETATM 0 HR'2 APR A 186 8.578 -9.217 -0.588 1.00 54.34 H new HETATM 0 HR'1 APR A 186 9.695 -8.570 -3.319 1.00 42.22 H new HETATM 0 HOR3 APR A 186 7.251 -11.352 -2.511 1.00 60.21 H new HETATM 0 HOR2 APR A 186 9.316 -11.048 -1.095 1.00 52.33 H new HETATM 0 HOR1 APR A 186 10.508 -7.756 -1.296 1.00 64.42 H new HETATM 0 HO'3 APR A 186 -0.322 -8.179 -9.744 1.00 60.35 H new HETATM 0 HO'2 APR A 186 -0.608 -7.035 -11.970 1.00 54.11 H new HETATM 0 H5R2 APR A 186 5.014 -7.826 -2.603 1.00 33.53 H new HETATM 0 H5R1 APR A 186 4.833 -8.797 -4.051 1.00 33.53 H new HETATM 0 H5'2 APR A 186 1.463 -6.258 -7.026 1.00 10.20 H new HETATM 0 H5'1 APR A 186 1.244 -7.859 -7.706 1.00 10.20 H new HETATM 0 H8 APR A 186 3.403 -4.755 -12.163 1.00 52.44 H new HETATM 0 H62 APR A 186 4.171 -0.213 -13.338 1.00 23.20 H new HETATM 0 H61 APR A 186 3.302 1.312 -13.138 1.00 23.20 H new HETATM 0 H2 APR A 186 -0.522 0.248 -10.887 1.00 31.21 H new HETATM 0 H'4 APR A 186 -0.205 -6.257 -8.831 1.00 34.15 H new HETATM 0 H'3 APR A 186 2.108 -7.572 -10.404 1.00 52.44 H new HETATM 0 H'2 APR A 186 1.852 -6.023 -12.247 1.00 72.11 H new HETATM 0 H'1 APR A 186 -0.164 -4.285 -10.787 1.00 23.05 H new