USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=53 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 93 TYR OH : rot -173:sc= 0.73 USER MOD Set 1.2: A 131 ASN :FLIP amide:sc= -1.18 F(o=-2.6!,f=-0.45) USER MOD Set 2.1: A 92 THR OG1 : rot 176:sc= 1.06 USER MOD Set 2.2: A 95 ASN : amide:sc= 1.22 K(o=2.3,f=-0.27) USER MOD Set 3.1: A 79 TYR OH : rot -105:sc= 2.36 USER MOD Set 3.2: A 106 HIS : no HE2:sc= -1.11! C(o=3.3!,f=-5.7!) USER MOD Set 3.3: A 107 CYS SG : rot 63:sc= 2.06 USER MOD Set 4.1: A 77 TYR OH : rot 180:sc= 0.0335 USER MOD Set 4.2: A 110 ASN :FLIP amide:sc= 0.978 F(o=-1.6!,f=1) USER MOD Set 5.1: A 38 CYS SG : rot 45:sc= 1.86 USER MOD Set 5.2: A 63 LYS NZ :NH3+ 161:sc= 2.25 (180deg=0.216) USER MOD Set 6.1: A 35 SER OG : rot 135:sc= 0.913 USER MOD Set 6.2: A 186 APR O2D : rot -36:sc= 0.242 USER MOD Set 7.1: A 24 CYS SG : rot 82:sc= 0.42 USER MOD Set 7.2: A 116 SER OG : rot 170:sc= 0 USER MOD Set 7.3: A 150 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 16 TYR OH : rot -140:sc= 1.36 USER MOD Set 8.2: A 133 SER OG : rot 151:sc= 1.27 USER MOD Set 9.1: A 15 THR OG1 : rot -142:sc= 0.18 USER MOD Set 9.2: A 146 LYS NZ :NH3+ -164:sc= 2.49 (180deg=1.03) USER MOD Set 9.3: A 148 THR OG1 : rot -152:sc= 0.861 USER MOD Single : A 3 SER OG : rot 25:sc= 0.134 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00946 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc=-0.00683 (180deg=-0.0975) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 67:sc= 0.727 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 32 HIS : no HE2:sc= -0.627 X(o=-0.63,f=-0.39) USER MOD Single : A 33 CYS SG : rot 165:sc= -0.0552 USER MOD Single : A 40 MET CE :methyl -135:sc= 0 (180deg=-0.449) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0524 (180deg=-0.446) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.071 (180deg=-0.399) USER MOD Single : A 56 GLN : amide:sc= -0.0545 K(o=-0.055,f=-0.6) USER MOD Single : A 60 ASN :FLIP amide:sc= -3.47! C(o=-5.5!,f=-3.5!) USER MOD Single : A 61 GLN : amide:sc= 0.27 K(o=0.27,f=-5.6!) USER MOD Single : A 62 GLN : amide:sc= 0.531 K(o=0.53,f=-0.19) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc=-0.00278 (180deg=-0.05) USER MOD Single : A 80 TYR OH : rot 165:sc= 0 USER MOD Single : A 83 THR OG1 : rot -92:sc= 1.09 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -42:sc= 0.336 USER MOD Single : A 89 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.0695 K(o=0.069,f=-0.46) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.15) USER MOD Single : A 99 SER OG : rot 70:sc= 1.28 USER MOD Single : A 103 MET CE :methyl -129:sc= -0.164 (180deg=-2.63) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.17) USER MOD Single : A 105 SER OG : rot 82:sc= 0.369 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 167:sc= -2.62 (180deg=-3.32) USER MOD Single : A 122 CYS SG : rot -150:sc= 0.0558 USER MOD Single : A 128 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.71) USER MOD Single : A 135 MET CE :methyl 173:sc= -0.5 (180deg=-0.591) USER MOD Single : A 143 THR OG1 : rot -40:sc= 1.09 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 APR O1D : rot -60:sc= -0.969 USER MOD Single : A 186 APR O2' : rot -97:sc= 0.234 USER MOD Single : A 186 APR O3' : rot 180:sc= 0.234 USER MOD Single : A 186 APR O3D : rot -14:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -6.838 28.326 -0.093 1.00 12.14 N ATOM 2 CA SER A 3 -8.227 28.020 -0.297 1.00 43.24 C ATOM 3 C SER A 3 -8.336 26.770 -1.132 1.00 52.25 C ATOM 4 O SER A 3 -7.977 26.760 -2.317 1.00 50.44 O ATOM 5 CB SER A 3 -8.904 29.184 -1.000 1.00 22.20 C ATOM 6 OG SER A 3 -8.717 30.394 -0.270 1.00 31.45 O ATOM 0 HA SER A 3 -8.719 27.856 0.662 1.00 43.24 H new ATOM 0 HB2 SER A 3 -8.497 29.294 -2.005 1.00 22.20 H new ATOM 0 HB3 SER A 3 -9.969 28.980 -1.108 1.00 22.20 H new ATOM 0 HG SER A 3 -7.910 30.322 0.281 1.00 31.45 H new ATOM 12 N SER A 4 -8.768 25.720 -0.524 1.00 40.42 N ATOM 13 CA SER A 4 -8.845 24.480 -1.186 1.00 44.31 C ATOM 14 C SER A 4 -9.987 23.658 -0.662 1.00 12.25 C ATOM 15 O SER A 4 -10.308 23.710 0.540 1.00 41.11 O ATOM 16 CB SER A 4 -7.513 23.748 -1.022 1.00 15.20 C ATOM 17 OG SER A 4 -7.122 23.707 0.348 1.00 20.52 O ATOM 0 H SER A 4 -9.077 25.705 0.448 1.00 40.42 H new ATOM 0 HA SER A 4 -9.034 24.646 -2.246 1.00 44.31 H new ATOM 0 HB2 SER A 4 -7.601 22.733 -1.410 1.00 15.20 H new ATOM 0 HB3 SER A 4 -6.743 24.249 -1.609 1.00 15.20 H new ATOM 0 HG SER A 4 -6.268 23.233 0.430 1.00 20.52 H new ATOM 23 N LEU A 5 -10.627 22.944 -1.548 1.00 3.10 N ATOM 24 CA LEU A 5 -11.651 22.038 -1.160 1.00 23.33 C ATOM 25 C LEU A 5 -10.979 20.719 -0.833 1.00 45.42 C ATOM 26 O LEU A 5 -10.748 19.875 -1.710 1.00 1.11 O ATOM 27 CB LEU A 5 -12.702 21.876 -2.267 1.00 54.54 C ATOM 28 CG LEU A 5 -13.916 21.000 -1.935 1.00 51.14 C ATOM 29 CD1 LEU A 5 -14.712 21.583 -0.774 1.00 34.25 C ATOM 30 CD2 LEU A 5 -14.797 20.828 -3.157 1.00 44.31 C ATOM 0 H LEU A 5 -10.448 22.980 -2.552 1.00 3.10 H new ATOM 0 HA LEU A 5 -12.187 22.416 -0.289 1.00 23.33 H new ATOM 0 HB2 LEU A 5 -13.062 22.867 -2.543 1.00 54.54 H new ATOM 0 HB3 LEU A 5 -12.210 21.459 -3.146 1.00 54.54 H new ATOM 0 HG LEU A 5 -13.552 20.019 -1.631 1.00 51.14 H new ATOM 0 HD11 LEU A 5 -15.567 20.941 -0.560 1.00 34.25 H new ATOM 0 HD12 LEU A 5 -14.075 21.645 0.109 1.00 34.25 H new ATOM 0 HD13 LEU A 5 -15.064 22.580 -1.039 1.00 34.25 H new ATOM 0 HD21 LEU A 5 -15.654 20.204 -2.903 1.00 44.31 H new ATOM 0 HD22 LEU A 5 -15.147 21.804 -3.494 1.00 44.31 H new ATOM 0 HD23 LEU A 5 -14.225 20.353 -3.954 1.00 44.31 H new ATOM 38 N ASN A 6 -10.565 20.602 0.399 1.00 23.12 N ATOM 39 CA ASN A 6 -9.861 19.433 0.876 1.00 24.34 C ATOM 40 C ASN A 6 -10.856 18.400 1.331 1.00 52.35 C ATOM 41 O ASN A 6 -11.385 18.477 2.446 1.00 52.24 O ATOM 42 CB ASN A 6 -8.905 19.819 2.012 1.00 5.21 C ATOM 43 CG ASN A 6 -8.134 18.654 2.602 1.00 51.23 C ATOM 44 OD1 ASN A 6 -7.837 17.673 1.929 1.00 64.13 O ATOM 45 ND2 ASN A 6 -7.803 18.762 3.863 1.00 61.20 N ATOM 0 H ASN A 6 -10.706 21.320 1.110 1.00 23.12 H new ATOM 0 HA ASN A 6 -9.265 19.009 0.067 1.00 24.34 H new ATOM 0 HB2 ASN A 6 -8.195 20.557 1.639 1.00 5.21 H new ATOM 0 HB3 ASN A 6 -9.477 20.300 2.805 1.00 5.21 H new ATOM 0 HD21 ASN A 6 -7.280 18.014 4.319 1.00 61.20 H new ATOM 0 HD22 ASN A 6 -8.068 19.594 4.390 1.00 61.20 H new ATOM 51 N GLU A 7 -11.150 17.478 0.465 1.00 61.25 N ATOM 52 CA GLU A 7 -12.132 16.465 0.730 1.00 40.33 C ATOM 53 C GLU A 7 -11.496 15.201 1.224 1.00 72.13 C ATOM 54 O GLU A 7 -10.344 14.902 0.904 1.00 74.23 O ATOM 55 CB GLU A 7 -12.948 16.171 -0.528 1.00 12.04 C ATOM 56 CG GLU A 7 -13.800 17.329 -0.996 1.00 53.41 C ATOM 57 CD GLU A 7 -14.855 17.698 0.014 1.00 31.12 C ATOM 58 OE1 GLU A 7 -15.928 17.061 0.021 1.00 13.43 O ATOM 59 OE2 GLU A 7 -14.642 18.609 0.820 1.00 53.45 O ATOM 0 H GLU A 7 -10.713 17.405 -0.454 1.00 61.25 H new ATOM 0 HA GLU A 7 -12.792 16.845 1.510 1.00 40.33 H new ATOM 0 HB2 GLU A 7 -12.268 15.887 -1.331 1.00 12.04 H new ATOM 0 HB3 GLU A 7 -13.593 15.313 -0.338 1.00 12.04 H new ATOM 0 HG2 GLU A 7 -13.164 18.193 -1.188 1.00 53.41 H new ATOM 0 HG3 GLU A 7 -14.278 17.069 -1.941 1.00 53.41 H new ATOM 66 N ASP A 8 -12.241 14.478 2.003 1.00 31.52 N ATOM 67 CA ASP A 8 -11.827 13.196 2.502 1.00 21.41 C ATOM 68 C ASP A 8 -12.780 12.177 1.923 1.00 73.25 C ATOM 69 O ASP A 8 -13.993 12.278 2.137 1.00 74.32 O ATOM 70 CB ASP A 8 -11.856 13.143 4.046 1.00 4.32 C ATOM 71 CG ASP A 8 -10.894 14.108 4.714 1.00 61.23 C ATOM 72 OD1 ASP A 8 -9.676 13.834 4.746 1.00 31.24 O ATOM 73 OD2 ASP A 8 -11.336 15.160 5.236 1.00 20.50 O ATOM 0 H ASP A 8 -13.169 14.764 2.317 1.00 31.52 H new ATOM 0 HA ASP A 8 -10.797 12.995 2.207 1.00 21.41 H new ATOM 0 HB2 ASP A 8 -12.868 13.360 4.388 1.00 4.32 H new ATOM 0 HB3 ASP A 8 -11.621 12.129 4.369 1.00 4.32 H new ATOM 78 N PRO A 9 -12.274 11.198 1.178 1.00 25.22 N ATOM 79 CA PRO A 9 -13.117 10.227 0.467 1.00 62.15 C ATOM 80 C PRO A 9 -13.973 9.355 1.397 1.00 73.44 C ATOM 81 O PRO A 9 -13.549 8.986 2.493 1.00 73.15 O ATOM 82 CB PRO A 9 -12.112 9.377 -0.305 1.00 2.42 C ATOM 83 CG PRO A 9 -10.827 9.542 0.430 1.00 15.12 C ATOM 84 CD PRO A 9 -10.837 10.936 0.969 1.00 33.20 C ATOM 0 HA PRO A 9 -13.848 10.730 -0.166 1.00 62.15 H new ATOM 0 HB2 PRO A 9 -12.419 8.332 -0.335 1.00 2.42 H new ATOM 0 HB3 PRO A 9 -12.022 9.712 -1.338 1.00 2.42 H new ATOM 0 HG2 PRO A 9 -10.742 8.813 1.236 1.00 15.12 H new ATOM 0 HG3 PRO A 9 -9.976 9.386 -0.233 1.00 15.12 H new ATOM 0 HD2 PRO A 9 -10.273 11.014 1.898 1.00 33.20 H new ATOM 0 HD3 PRO A 9 -10.395 11.644 0.268 1.00 33.20 H new ATOM 92 N GLU A 10 -15.174 9.048 0.947 1.00 61.21 N ATOM 93 CA GLU A 10 -16.117 8.245 1.683 1.00 42.32 C ATOM 94 C GLU A 10 -17.113 7.730 0.667 1.00 30.31 C ATOM 95 O GLU A 10 -17.688 8.512 -0.099 1.00 1.22 O ATOM 96 CB GLU A 10 -16.818 9.113 2.774 1.00 71.12 C ATOM 97 CG GLU A 10 -17.682 8.366 3.824 1.00 23.14 C ATOM 98 CD GLU A 10 -18.925 7.690 3.271 1.00 33.44 C ATOM 99 OE1 GLU A 10 -19.939 8.375 3.070 1.00 33.24 O ATOM 100 OE2 GLU A 10 -18.909 6.468 3.051 1.00 0.03 O ATOM 0 H GLU A 10 -15.524 9.359 0.041 1.00 61.21 H new ATOM 0 HA GLU A 10 -15.632 7.417 2.200 1.00 42.32 H new ATOM 0 HB2 GLU A 10 -16.049 9.674 3.306 1.00 71.12 H new ATOM 0 HB3 GLU A 10 -17.453 9.842 2.270 1.00 71.12 H new ATOM 0 HG2 GLU A 10 -17.063 7.612 4.311 1.00 23.14 H new ATOM 0 HG3 GLU A 10 -17.985 9.076 4.594 1.00 23.14 H new ATOM 107 N GLY A 11 -17.266 6.445 0.616 1.00 43.13 N ATOM 108 CA GLY A 11 -18.202 5.847 -0.296 1.00 73.12 C ATOM 109 C GLY A 11 -18.150 4.343 -0.245 1.00 61.03 C ATOM 110 O GLY A 11 -19.163 3.679 -0.005 1.00 44.22 O ATOM 0 H GLY A 11 -16.753 5.782 1.197 1.00 43.13 H new ATOM 0 HA2 GLY A 11 -19.210 6.184 -0.055 1.00 73.12 H new ATOM 0 HA3 GLY A 11 -17.987 6.184 -1.310 1.00 73.12 H new ATOM 114 N SER A 12 -16.995 3.799 -0.482 1.00 62.03 N ATOM 115 CA SER A 12 -16.808 2.373 -0.463 1.00 63.03 C ATOM 116 C SER A 12 -15.438 2.050 0.120 1.00 4.40 C ATOM 117 O SER A 12 -14.616 2.948 0.285 1.00 63.11 O ATOM 118 CB SER A 12 -16.924 1.842 -1.884 1.00 42.12 C ATOM 119 OG SER A 12 -18.184 2.211 -2.452 1.00 53.14 O ATOM 0 H SER A 12 -16.151 4.330 -0.695 1.00 62.03 H new ATOM 0 HA SER A 12 -17.569 1.900 0.157 1.00 63.03 H new ATOM 0 HB2 SER A 12 -16.113 2.238 -2.495 1.00 42.12 H new ATOM 0 HB3 SER A 12 -16.822 0.757 -1.883 1.00 42.12 H new ATOM 0 HG SER A 12 -18.245 1.864 -3.367 1.00 53.14 H new ATOM 125 N ARG A 13 -15.198 0.785 0.430 1.00 73.54 N ATOM 126 CA ARG A 13 -13.916 0.380 0.994 1.00 72.21 C ATOM 127 C ARG A 13 -12.856 0.350 -0.094 1.00 64.52 C ATOM 128 O ARG A 13 -11.902 1.119 -0.071 1.00 70.32 O ATOM 129 CB ARG A 13 -13.963 -1.018 1.675 1.00 53.12 C ATOM 130 CG ARG A 13 -14.841 -1.181 2.931 1.00 61.10 C ATOM 131 CD ARG A 13 -16.326 -1.031 2.649 1.00 13.52 C ATOM 132 NE ARG A 13 -17.146 -1.381 3.815 1.00 23.40 N ATOM 133 CZ ARG A 13 -18.373 -0.904 4.069 1.00 30.13 C ATOM 134 NH1 ARG A 13 -18.875 0.090 3.343 1.00 2.05 N ATOM 135 NH2 ARG A 13 -19.078 -1.394 5.075 1.00 33.12 N ATOM 0 H ARG A 13 -15.867 0.026 0.303 1.00 73.54 H new ATOM 0 HA ARG A 13 -13.672 1.117 1.759 1.00 72.21 H new ATOM 0 HB2 ARG A 13 -14.304 -1.740 0.933 1.00 53.12 H new ATOM 0 HB3 ARG A 13 -12.943 -1.294 1.942 1.00 53.12 H new ATOM 0 HG2 ARG A 13 -14.659 -2.163 3.369 1.00 61.10 H new ATOM 0 HG3 ARG A 13 -14.542 -0.441 3.673 1.00 61.10 H new ATOM 0 HD2 ARG A 13 -16.537 -0.003 2.353 1.00 13.52 H new ATOM 0 HD3 ARG A 13 -16.601 -1.668 1.808 1.00 13.52 H new ATOM 0 HE ARG A 13 -16.751 -2.040 4.486 1.00 23.40 H new ATOM 0 HH11 ARG A 13 -18.326 0.496 2.586 1.00 2.05 H new ATOM 0 HH12 ARG A 13 -19.809 0.447 3.543 1.00 2.05 H new ATOM 0 HH21 ARG A 13 -18.688 -2.135 5.658 1.00 33.12 H new ATOM 0 HH22 ARG A 13 -20.011 -1.031 5.268 1.00 33.12 H new ATOM 147 N ILE A 14 -13.042 -0.535 -1.050 1.00 51.53 N ATOM 148 CA ILE A 14 -12.089 -0.725 -2.118 1.00 30.34 C ATOM 149 C ILE A 14 -12.709 -0.316 -3.440 1.00 30.41 C ATOM 150 O ILE A 14 -13.864 -0.652 -3.728 1.00 23.41 O ATOM 151 CB ILE A 14 -11.639 -2.216 -2.198 1.00 11.42 C ATOM 152 CG1 ILE A 14 -10.999 -2.641 -0.871 1.00 42.45 C ATOM 153 CG2 ILE A 14 -10.653 -2.435 -3.359 1.00 52.41 C ATOM 154 CD1 ILE A 14 -10.702 -4.108 -0.770 1.00 20.42 C ATOM 0 H ILE A 14 -13.859 -1.143 -1.107 1.00 51.53 H new ATOM 0 HA ILE A 14 -11.217 -0.105 -1.913 1.00 30.34 H new ATOM 0 HB ILE A 14 -12.520 -2.830 -2.384 1.00 11.42 H new ATOM 0 HG12 ILE A 14 -10.072 -2.084 -0.734 1.00 42.45 H new ATOM 0 HG13 ILE A 14 -11.664 -2.360 -0.054 1.00 42.45 H new ATOM 0 HG21 ILE A 14 -10.356 -3.483 -3.391 1.00 52.41 H new ATOM 0 HG22 ILE A 14 -11.133 -2.165 -4.300 1.00 52.41 H new ATOM 0 HG23 ILE A 14 -9.771 -1.812 -3.210 1.00 52.41 H new ATOM 0 HD11 ILE A 14 -10.251 -4.322 0.199 1.00 20.42 H new ATOM 0 HD12 ILE A 14 -11.628 -4.675 -0.873 1.00 20.42 H new ATOM 0 HD13 ILE A 14 -10.011 -4.395 -1.563 1.00 20.42 H new ATOM 161 N THR A 15 -11.970 0.417 -4.212 1.00 54.45 N ATOM 162 CA THR A 15 -12.405 0.827 -5.516 1.00 75.53 C ATOM 163 C THR A 15 -11.442 0.285 -6.556 1.00 23.40 C ATOM 164 O THR A 15 -10.225 0.459 -6.434 1.00 74.04 O ATOM 165 CB THR A 15 -12.478 2.364 -5.626 1.00 12.04 C ATOM 166 OG1 THR A 15 -13.314 2.887 -4.576 1.00 23.54 O ATOM 167 CG2 THR A 15 -13.057 2.785 -6.970 1.00 24.41 C ATOM 0 H THR A 15 -11.041 0.752 -3.956 1.00 54.45 H new ATOM 0 HA THR A 15 -13.406 0.430 -5.687 1.00 75.53 H new ATOM 0 HB THR A 15 -11.466 2.759 -5.535 1.00 12.04 H new ATOM 0 HG1 THR A 15 -13.842 3.637 -4.921 1.00 23.54 H new ATOM 0 HG21 THR A 15 -13.098 3.873 -7.024 1.00 24.41 H new ATOM 0 HG22 THR A 15 -12.425 2.406 -7.773 1.00 24.41 H new ATOM 0 HG23 THR A 15 -14.063 2.378 -7.077 1.00 24.41 H new ATOM 173 N TYR A 16 -11.977 -0.383 -7.543 1.00 30.12 N ATOM 174 CA TYR A 16 -11.187 -0.927 -8.615 1.00 3.43 C ATOM 175 C TYR A 16 -11.190 0.023 -9.790 1.00 21.54 C ATOM 176 O TYR A 16 -12.246 0.336 -10.346 1.00 4.42 O ATOM 177 CB TYR A 16 -11.719 -2.307 -9.043 1.00 21.44 C ATOM 178 CG TYR A 16 -11.592 -3.373 -7.978 1.00 25.03 C ATOM 179 CD1 TYR A 16 -10.444 -4.136 -7.893 1.00 61.01 C ATOM 180 CD2 TYR A 16 -12.607 -3.613 -7.058 1.00 34.34 C ATOM 181 CE1 TYR A 16 -10.297 -5.105 -6.934 1.00 62.12 C ATOM 182 CE2 TYR A 16 -12.469 -4.588 -6.086 1.00 40.53 C ATOM 183 CZ TYR A 16 -11.307 -5.332 -6.031 1.00 32.04 C ATOM 184 OH TYR A 16 -11.157 -6.307 -5.067 1.00 12.42 O ATOM 0 H TYR A 16 -12.977 -0.566 -7.626 1.00 30.12 H new ATOM 0 HA TYR A 16 -10.164 -1.053 -8.261 1.00 3.43 H new ATOM 0 HB2 TYR A 16 -12.768 -2.210 -9.322 1.00 21.44 H new ATOM 0 HB3 TYR A 16 -11.181 -2.632 -9.934 1.00 21.44 H new ATOM 0 HD1 TYR A 16 -9.644 -3.966 -8.598 1.00 61.01 H new ATOM 0 HD2 TYR A 16 -13.515 -3.030 -7.103 1.00 34.34 H new ATOM 0 HE1 TYR A 16 -9.389 -5.688 -6.889 1.00 62.12 H new ATOM 0 HE2 TYR A 16 -13.263 -4.766 -5.376 1.00 40.53 H new ATOM 0 HH TYR A 16 -12.004 -6.787 -4.952 1.00 12.42 H new ATOM 194 N VAL A 17 -10.036 0.514 -10.137 1.00 52.53 N ATOM 195 CA VAL A 17 -9.900 1.388 -11.269 1.00 41.32 C ATOM 196 C VAL A 17 -8.766 0.901 -12.148 1.00 72.14 C ATOM 197 O VAL A 17 -7.753 0.409 -11.649 1.00 50.41 O ATOM 198 CB VAL A 17 -9.679 2.872 -10.840 1.00 13.04 C ATOM 199 CG1 VAL A 17 -8.410 3.050 -10.032 1.00 60.42 C ATOM 200 CG2 VAL A 17 -9.712 3.822 -12.036 1.00 3.30 C ATOM 0 H VAL A 17 -9.163 0.321 -9.645 1.00 52.53 H new ATOM 0 HA VAL A 17 -10.832 1.363 -11.834 1.00 41.32 H new ATOM 0 HB VAL A 17 -10.514 3.134 -10.191 1.00 13.04 H new ATOM 0 HG11 VAL A 17 -8.298 4.099 -9.756 1.00 60.42 H new ATOM 0 HG12 VAL A 17 -8.465 2.441 -9.130 1.00 60.42 H new ATOM 0 HG13 VAL A 17 -7.552 2.739 -10.628 1.00 60.42 H new ATOM 0 HG21 VAL A 17 -9.554 4.844 -11.693 1.00 3.30 H new ATOM 0 HG22 VAL A 17 -8.925 3.549 -12.739 1.00 3.30 H new ATOM 0 HG23 VAL A 17 -10.681 3.751 -12.531 1.00 3.30 H new ATOM 206 N LYS A 18 -8.948 0.992 -13.424 1.00 25.41 N ATOM 207 CA LYS A 18 -7.930 0.602 -14.351 1.00 64.04 C ATOM 208 C LYS A 18 -6.989 1.776 -14.527 1.00 62.11 C ATOM 209 O LYS A 18 -7.432 2.896 -14.799 1.00 25.41 O ATOM 210 CB LYS A 18 -8.569 0.163 -15.700 1.00 14.22 C ATOM 211 CG LYS A 18 -7.618 -0.482 -16.749 1.00 22.40 C ATOM 212 CD LYS A 18 -6.571 0.468 -17.338 1.00 12.23 C ATOM 213 CE LYS A 18 -7.202 1.640 -18.077 1.00 23.23 C ATOM 214 NZ LYS A 18 -8.036 1.202 -19.217 1.00 30.34 N ATOM 0 H LYS A 18 -9.805 1.338 -13.856 1.00 25.41 H new ATOM 0 HA LYS A 18 -7.370 -0.254 -13.976 1.00 64.04 H new ATOM 0 HB2 LYS A 18 -9.367 -0.547 -15.483 1.00 14.22 H new ATOM 0 HB3 LYS A 18 -9.035 1.037 -16.156 1.00 14.22 H new ATOM 0 HG2 LYS A 18 -7.104 -1.323 -16.284 1.00 22.40 H new ATOM 0 HG3 LYS A 18 -8.219 -0.887 -17.563 1.00 22.40 H new ATOM 0 HD2 LYS A 18 -5.936 0.846 -16.537 1.00 12.23 H new ATOM 0 HD3 LYS A 18 -5.926 -0.085 -18.022 1.00 12.23 H new ATOM 0 HE2 LYS A 18 -7.813 2.217 -17.383 1.00 23.23 H new ATOM 0 HE3 LYS A 18 -6.417 2.304 -18.438 1.00 23.23 H new ATOM 0 HZ1 LYS A 18 -8.319 2.030 -19.779 1.00 30.34 H new ATOM 0 HZ2 LYS A 18 -7.491 0.548 -19.815 1.00 30.34 H new ATOM 0 HZ3 LYS A 18 -8.885 0.719 -18.860 1.00 30.34 H new ATOM 228 N GLY A 19 -5.720 1.532 -14.367 1.00 1.42 N ATOM 229 CA GLY A 19 -4.752 2.575 -14.522 1.00 24.21 C ATOM 230 C GLY A 19 -3.458 2.245 -13.842 1.00 13.32 C ATOM 231 O GLY A 19 -3.344 1.209 -13.195 1.00 65.12 O ATOM 0 H GLY A 19 -5.333 0.619 -14.129 1.00 1.42 H new ATOM 0 HA2 GLY A 19 -4.571 2.747 -15.583 1.00 24.21 H new ATOM 0 HA3 GLY A 19 -5.150 3.503 -14.113 1.00 24.21 H new ATOM 235 N ASP A 20 -2.497 3.130 -13.980 1.00 24.31 N ATOM 236 CA ASP A 20 -1.178 2.966 -13.382 1.00 3.01 C ATOM 237 C ASP A 20 -1.220 3.503 -11.960 1.00 44.12 C ATOM 238 O ASP A 20 -1.826 4.560 -11.709 1.00 24.04 O ATOM 239 CB ASP A 20 -0.143 3.755 -14.193 1.00 54.51 C ATOM 240 CG ASP A 20 1.276 3.591 -13.689 1.00 3.41 C ATOM 241 OD1 ASP A 20 1.695 4.347 -12.806 1.00 22.43 O ATOM 242 OD2 ASP A 20 1.999 2.714 -14.205 1.00 75.12 O ATOM 0 H ASP A 20 -2.603 3.993 -14.513 1.00 24.31 H new ATOM 0 HA ASP A 20 -0.901 1.912 -13.378 1.00 3.01 H new ATOM 0 HB2 ASP A 20 -0.189 3.435 -15.234 1.00 54.51 H new ATOM 0 HB3 ASP A 20 -0.407 4.812 -14.172 1.00 54.51 H new ATOM 247 N LEU A 21 -0.592 2.806 -11.036 1.00 14.21 N ATOM 248 CA LEU A 21 -0.629 3.191 -9.632 1.00 1.00 C ATOM 249 C LEU A 21 0.195 4.454 -9.349 1.00 32.42 C ATOM 250 O LEU A 21 -0.131 5.225 -8.458 1.00 52.31 O ATOM 251 CB LEU A 21 -0.146 2.050 -8.741 1.00 25.41 C ATOM 252 CG LEU A 21 -0.196 2.319 -7.235 1.00 43.14 C ATOM 253 CD1 LEU A 21 -1.628 2.489 -6.753 1.00 35.35 C ATOM 254 CD2 LEU A 21 0.499 1.229 -6.471 1.00 71.44 C ATOM 0 H LEU A 21 -0.047 1.966 -11.229 1.00 14.21 H new ATOM 0 HA LEU A 21 -1.670 3.415 -9.400 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -0.748 1.167 -8.954 1.00 25.41 H new ATOM 0 HB3 LEU A 21 0.881 1.809 -9.015 1.00 25.41 H new ATOM 0 HG LEU A 21 0.332 3.254 -7.048 1.00 43.14 H new ATOM 0 HD11 LEU A 21 -1.631 2.679 -5.680 1.00 35.35 H new ATOM 0 HD12 LEU A 21 -2.089 3.330 -7.271 1.00 35.35 H new ATOM 0 HD13 LEU A 21 -2.193 1.580 -6.962 1.00 35.35 H new ATOM 0 HD21 LEU A 21 0.449 1.444 -5.404 1.00 71.44 H new ATOM 0 HD22 LEU A 21 0.011 0.275 -6.672 1.00 71.44 H new ATOM 0 HD23 LEU A 21 1.542 1.175 -6.782 1.00 71.44 H new ATOM 262 N PHE A 22 1.234 4.679 -10.109 1.00 2.43 N ATOM 263 CA PHE A 22 2.111 5.816 -9.867 1.00 64.13 C ATOM 264 C PHE A 22 1.520 7.119 -10.374 1.00 32.23 C ATOM 265 O PHE A 22 2.114 8.185 -10.215 1.00 53.34 O ATOM 266 CB PHE A 22 3.513 5.576 -10.429 1.00 71.41 C ATOM 267 CG PHE A 22 4.225 4.449 -9.753 1.00 14.30 C ATOM 268 CD1 PHE A 22 4.957 4.679 -8.603 1.00 70.51 C ATOM 269 CD2 PHE A 22 4.157 3.159 -10.253 1.00 23.41 C ATOM 270 CE1 PHE A 22 5.602 3.650 -7.966 1.00 44.44 C ATOM 271 CE2 PHE A 22 4.802 2.131 -9.620 1.00 5.55 C ATOM 272 CZ PHE A 22 5.523 2.373 -8.473 1.00 61.45 C ATOM 0 H PHE A 22 1.502 4.096 -10.902 1.00 2.43 H new ATOM 0 HA PHE A 22 2.204 5.915 -8.786 1.00 64.13 H new ATOM 0 HB2 PHE A 22 3.440 5.365 -11.496 1.00 71.41 H new ATOM 0 HB3 PHE A 22 4.102 6.487 -10.323 1.00 71.41 H new ATOM 0 HD1 PHE A 22 5.022 5.680 -8.202 1.00 70.51 H new ATOM 0 HD2 PHE A 22 3.590 2.962 -11.151 1.00 23.41 H new ATOM 0 HE1 PHE A 22 6.171 3.841 -7.068 1.00 44.44 H new ATOM 0 HE2 PHE A 22 4.745 1.130 -10.021 1.00 5.55 H new ATOM 0 HZ PHE A 22 6.027 1.561 -7.971 1.00 61.45 H new ATOM 282 N ALA A 23 0.346 7.040 -10.957 1.00 73.32 N ATOM 283 CA ALA A 23 -0.337 8.204 -11.480 1.00 45.21 C ATOM 284 C ALA A 23 -1.195 8.878 -10.402 1.00 24.54 C ATOM 285 O ALA A 23 -1.841 9.900 -10.663 1.00 62.35 O ATOM 286 CB ALA A 23 -1.192 7.806 -12.672 1.00 2.13 C ATOM 0 H ALA A 23 -0.164 6.166 -11.083 1.00 73.32 H new ATOM 0 HA ALA A 23 0.413 8.927 -11.803 1.00 45.21 H new ATOM 0 HB1 ALA A 23 -1.704 8.685 -13.062 1.00 2.13 H new ATOM 0 HB2 ALA A 23 -0.557 7.381 -13.449 1.00 2.13 H new ATOM 0 HB3 ALA A 23 -1.929 7.066 -12.360 1.00 2.13 H new ATOM 292 N CYS A 24 -1.188 8.308 -9.197 1.00 11.20 N ATOM 293 CA CYS A 24 -1.970 8.825 -8.069 1.00 64.43 C ATOM 294 C CYS A 24 -1.513 10.235 -7.633 1.00 62.41 C ATOM 295 O CYS A 24 -0.345 10.608 -7.830 1.00 31.12 O ATOM 296 CB CYS A 24 -1.891 7.863 -6.882 1.00 1.20 C ATOM 297 SG CYS A 24 -2.528 6.220 -7.226 1.00 3.42 S ATOM 0 H CYS A 24 -0.642 7.476 -8.973 1.00 11.20 H new ATOM 0 HA CYS A 24 -3.003 8.906 -8.408 1.00 64.43 H new ATOM 0 HB2 CYS A 24 -0.852 7.779 -6.565 1.00 1.20 H new ATOM 0 HB3 CYS A 24 -2.446 8.288 -6.046 1.00 1.20 H new ATOM 0 HG CYS A 24 -1.617 5.520 -7.834 1.00 3.42 H new ATOM 303 N PRO A 25 -2.437 11.038 -7.058 1.00 13.13 N ATOM 304 CA PRO A 25 -2.149 12.397 -6.556 1.00 45.22 C ATOM 305 C PRO A 25 -1.270 12.413 -5.288 1.00 13.43 C ATOM 306 O PRO A 25 -0.854 11.370 -4.775 1.00 41.33 O ATOM 307 CB PRO A 25 -3.545 12.938 -6.193 1.00 70.35 C ATOM 308 CG PRO A 25 -4.501 12.047 -6.893 1.00 31.03 C ATOM 309 CD PRO A 25 -3.862 10.707 -6.873 1.00 54.31 C ATOM 0 HA PRO A 25 -1.599 12.975 -7.299 1.00 45.22 H new ATOM 0 HB2 PRO A 25 -3.706 12.920 -5.115 1.00 70.35 H new ATOM 0 HB3 PRO A 25 -3.662 13.973 -6.515 1.00 70.35 H new ATOM 0 HG2 PRO A 25 -5.467 12.031 -6.389 1.00 31.03 H new ATOM 0 HG3 PRO A 25 -4.680 12.384 -7.914 1.00 31.03 H new ATOM 0 HD2 PRO A 25 -4.040 10.185 -5.933 1.00 54.31 H new ATOM 0 HD3 PRO A 25 -4.238 10.065 -7.670 1.00 54.31 H new ATOM 317 N LYS A 26 -1.034 13.617 -4.784 1.00 3.33 N ATOM 318 CA LYS A 26 -0.251 13.866 -3.572 1.00 55.52 C ATOM 319 C LYS A 26 -1.085 13.523 -2.331 1.00 41.20 C ATOM 320 O LYS A 26 -0.560 13.294 -1.237 1.00 4.11 O ATOM 321 CB LYS A 26 0.171 15.353 -3.545 1.00 54.13 C ATOM 322 CG LYS A 26 0.888 15.804 -2.283 1.00 21.23 C ATOM 323 CD LYS A 26 1.255 17.277 -2.357 1.00 2.53 C ATOM 324 CE LYS A 26 1.825 17.771 -1.042 1.00 74.32 C ATOM 325 NZ LYS A 26 2.219 19.189 -1.094 1.00 34.03 N ATOM 0 H LYS A 26 -1.389 14.471 -5.214 1.00 3.33 H new ATOM 0 HA LYS A 26 0.640 13.238 -3.571 1.00 55.52 H new ATOM 0 HB2 LYS A 26 0.820 15.545 -4.400 1.00 54.13 H new ATOM 0 HB3 LYS A 26 -0.719 15.968 -3.677 1.00 54.13 H new ATOM 0 HG2 LYS A 26 0.250 15.628 -1.417 1.00 21.23 H new ATOM 0 HG3 LYS A 26 1.790 15.208 -2.141 1.00 21.23 H new ATOM 0 HD2 LYS A 26 1.984 17.433 -3.153 1.00 2.53 H new ATOM 0 HD3 LYS A 26 0.372 17.861 -2.615 1.00 2.53 H new ATOM 0 HE2 LYS A 26 1.085 17.632 -0.254 1.00 74.32 H new ATOM 0 HE3 LYS A 26 2.692 17.166 -0.776 1.00 74.32 H new ATOM 0 HZ1 LYS A 26 2.602 19.477 -0.171 1.00 34.03 H new ATOM 0 HZ2 LYS A 26 2.945 19.321 -1.827 1.00 34.03 H new ATOM 0 HZ3 LYS A 26 1.388 19.772 -1.321 1.00 34.03 H new ATOM 339 N THR A 27 -2.372 13.464 -2.524 1.00 40.13 N ATOM 340 CA THR A 27 -3.298 13.164 -1.467 1.00 43.54 C ATOM 341 C THR A 27 -3.319 11.672 -1.179 1.00 2.04 C ATOM 342 O THR A 27 -3.514 11.241 -0.035 1.00 11.12 O ATOM 343 CB THR A 27 -4.711 13.637 -1.872 1.00 15.33 C ATOM 344 OG1 THR A 27 -5.018 13.152 -3.210 1.00 2.22 O ATOM 345 CG2 THR A 27 -4.799 15.158 -1.854 1.00 4.22 C ATOM 0 H THR A 27 -2.814 13.624 -3.429 1.00 40.13 H new ATOM 0 HA THR A 27 -2.980 13.685 -0.564 1.00 43.54 H new ATOM 0 HB THR A 27 -5.429 13.238 -1.156 1.00 15.33 H new ATOM 0 HG1 THR A 27 -5.092 12.175 -3.195 1.00 2.22 H new ATOM 0 HG21 THR A 27 -5.803 15.468 -2.143 1.00 4.22 H new ATOM 0 HG22 THR A 27 -4.581 15.523 -0.850 1.00 4.22 H new ATOM 0 HG23 THR A 27 -4.076 15.573 -2.556 1.00 4.22 H new ATOM 351 N ASP A 28 -3.065 10.904 -2.202 1.00 11.35 N ATOM 352 CA ASP A 28 -3.129 9.465 -2.118 1.00 75.45 C ATOM 353 C ASP A 28 -1.777 8.870 -1.814 1.00 75.23 C ATOM 354 O ASP A 28 -0.785 9.161 -2.490 1.00 62.41 O ATOM 355 CB ASP A 28 -3.709 8.893 -3.408 1.00 61.53 C ATOM 356 CG ASP A 28 -5.140 9.347 -3.652 1.00 51.21 C ATOM 357 OD1 ASP A 28 -5.363 10.558 -3.889 1.00 52.23 O ATOM 358 OD2 ASP A 28 -6.059 8.499 -3.640 1.00 41.03 O ATOM 0 H ASP A 28 -2.806 11.257 -3.123 1.00 11.35 H new ATOM 0 HA ASP A 28 -3.788 9.197 -1.292 1.00 75.45 H new ATOM 0 HB2 ASP A 28 -3.086 9.197 -4.249 1.00 61.53 H new ATOM 0 HB3 ASP A 28 -3.678 7.804 -3.365 1.00 61.53 H new ATOM 363 N SER A 29 -1.732 8.056 -0.785 1.00 42.05 N ATOM 364 CA SER A 29 -0.511 7.413 -0.366 1.00 72.31 C ATOM 365 C SER A 29 -0.401 6.006 -0.971 1.00 44.34 C ATOM 366 O SER A 29 -1.416 5.321 -1.150 1.00 52.34 O ATOM 367 CB SER A 29 -0.461 7.369 1.152 1.00 11.11 C ATOM 368 OG SER A 29 -0.469 8.693 1.683 1.00 74.03 O ATOM 0 H SER A 29 -2.544 7.821 -0.214 1.00 42.05 H new ATOM 0 HA SER A 29 0.342 7.987 -0.728 1.00 72.31 H new ATOM 0 HB2 SER A 29 -1.315 6.810 1.535 1.00 11.11 H new ATOM 0 HB3 SER A 29 0.436 6.844 1.479 1.00 11.11 H new ATOM 0 HG SER A 29 -0.438 8.653 2.662 1.00 74.03 H new ATOM 374 N LEU A 30 0.819 5.588 -1.271 1.00 3.42 N ATOM 375 CA LEU A 30 1.056 4.310 -1.933 1.00 74.11 C ATOM 376 C LEU A 30 1.379 3.230 -0.921 1.00 54.31 C ATOM 377 O LEU A 30 2.287 3.385 -0.109 1.00 23.54 O ATOM 378 CB LEU A 30 2.241 4.375 -2.936 1.00 33.34 C ATOM 379 CG LEU A 30 2.174 5.345 -4.140 1.00 34.32 C ATOM 380 CD1 LEU A 30 0.991 5.060 -5.006 1.00 0.23 C ATOM 381 CD2 LEU A 30 2.259 6.809 -3.731 1.00 22.40 C ATOM 0 H LEU A 30 1.666 6.117 -1.066 1.00 3.42 H new ATOM 0 HA LEU A 30 0.137 4.078 -2.471 1.00 74.11 H new ATOM 0 HB2 LEU A 30 3.136 4.624 -2.367 1.00 33.34 H new ATOM 0 HB3 LEU A 30 2.386 3.371 -3.334 1.00 33.34 H new ATOM 0 HG LEU A 30 3.065 5.160 -4.740 1.00 34.32 H new ATOM 0 HD11 LEU A 30 0.975 5.760 -5.842 1.00 0.23 H new ATOM 0 HD12 LEU A 30 1.056 4.041 -5.387 1.00 0.23 H new ATOM 0 HD13 LEU A 30 0.077 5.171 -4.422 1.00 0.23 H new ATOM 0 HD21 LEU A 30 2.207 7.439 -4.619 1.00 22.40 H new ATOM 0 HD22 LEU A 30 1.430 7.050 -3.066 1.00 22.40 H new ATOM 0 HD23 LEU A 30 3.202 6.988 -3.214 1.00 22.40 H new ATOM 389 N ALA A 31 0.665 2.147 -0.978 1.00 44.50 N ATOM 390 CA ALA A 31 0.936 1.019 -0.121 1.00 43.42 C ATOM 391 C ALA A 31 1.235 -0.193 -0.966 1.00 71.33 C ATOM 392 O ALA A 31 0.747 -0.305 -2.086 1.00 13.11 O ATOM 393 CB ALA A 31 -0.233 0.746 0.804 1.00 1.15 C ATOM 0 H ALA A 31 -0.120 2.014 -1.615 1.00 44.50 H new ATOM 0 HA ALA A 31 1.803 1.249 0.499 1.00 43.42 H new ATOM 0 HB1 ALA A 31 -0.002 -0.109 1.439 1.00 1.15 H new ATOM 0 HB2 ALA A 31 -0.416 1.622 1.427 1.00 1.15 H new ATOM 0 HB3 ALA A 31 -1.122 0.529 0.212 1.00 1.15 H new ATOM 399 N HIS A 32 2.073 -1.068 -0.462 1.00 64.54 N ATOM 400 CA HIS A 32 2.419 -2.306 -1.149 1.00 12.11 C ATOM 401 C HIS A 32 3.214 -3.181 -0.233 1.00 72.10 C ATOM 402 O HIS A 32 3.698 -2.720 0.802 1.00 51.10 O ATOM 403 CB HIS A 32 3.221 -2.050 -2.448 1.00 10.52 C ATOM 404 CG HIS A 32 4.516 -1.332 -2.239 1.00 55.24 C ATOM 405 ND1 HIS A 32 5.754 -1.941 -2.338 1.00 74.10 N ATOM 406 CD2 HIS A 32 4.763 -0.034 -1.965 1.00 34.41 C ATOM 407 CE1 HIS A 32 6.684 -1.054 -2.140 1.00 21.31 C ATOM 408 NE2 HIS A 32 6.115 0.116 -1.908 1.00 51.25 N ATOM 0 H HIS A 32 2.539 -0.948 0.437 1.00 64.54 H new ATOM 0 HA HIS A 32 1.488 -2.799 -1.429 1.00 12.11 H new ATOM 0 HB2 HIS A 32 3.423 -3.006 -2.931 1.00 10.52 H new ATOM 0 HB3 HIS A 32 2.604 -1.470 -3.134 1.00 10.52 H new ATOM 0 HD1 HIS A 32 5.912 -2.929 -2.535 1.00 74.10 H new ATOM 0 HD2 HIS A 32 4.026 0.741 -1.818 1.00 34.41 H new ATOM 0 HE1 HIS A 32 7.747 -1.243 -2.162 1.00 21.31 H new ATOM 417 N CYS A 33 3.384 -4.400 -0.617 1.00 75.11 N ATOM 418 CA CYS A 33 4.142 -5.328 0.149 1.00 23.25 C ATOM 419 C CYS A 33 5.532 -5.439 -0.442 1.00 72.40 C ATOM 420 O CYS A 33 5.756 -5.048 -1.610 1.00 5.12 O ATOM 421 CB CYS A 33 3.487 -6.698 0.071 1.00 70.41 C ATOM 422 SG CYS A 33 1.744 -6.732 0.485 1.00 1.41 S ATOM 0 H CYS A 33 2.997 -4.784 -1.479 1.00 75.11 H new ATOM 0 HA CYS A 33 4.191 -4.988 1.184 1.00 23.25 H new ATOM 0 HB2 CYS A 33 3.612 -7.086 -0.940 1.00 70.41 H new ATOM 0 HB3 CYS A 33 4.017 -7.376 0.741 1.00 70.41 H new ATOM 0 HG CYS A 33 1.227 -7.859 0.093 1.00 1.41 H new ATOM 428 N ILE A 34 6.447 -5.895 0.369 1.00 41.22 N ATOM 429 CA ILE A 34 7.794 -6.285 -0.017 1.00 21.04 C ATOM 430 C ILE A 34 8.217 -7.349 0.952 1.00 23.54 C ATOM 431 O ILE A 34 7.481 -7.626 1.909 1.00 2.40 O ATOM 432 CB ILE A 34 8.859 -5.144 0.020 1.00 73.01 C ATOM 433 CG1 ILE A 34 8.937 -4.488 1.400 1.00 24.34 C ATOM 434 CG2 ILE A 34 8.648 -4.113 -1.084 1.00 45.31 C ATOM 435 CD1 ILE A 34 10.061 -3.495 1.511 1.00 2.22 C ATOM 0 H ILE A 34 6.275 -6.014 1.367 1.00 41.22 H new ATOM 0 HA ILE A 34 7.752 -6.607 -1.057 1.00 21.04 H new ATOM 0 HB ILE A 34 9.824 -5.613 -0.174 1.00 73.01 H new ATOM 0 HG12 ILE A 34 7.993 -3.986 1.613 1.00 24.34 H new ATOM 0 HG13 ILE A 34 9.065 -5.261 2.158 1.00 24.34 H new ATOM 0 HG21 ILE A 34 9.415 -3.342 -1.013 1.00 45.31 H new ATOM 0 HG22 ILE A 34 8.714 -4.602 -2.056 1.00 45.31 H new ATOM 0 HG23 ILE A 34 7.664 -3.657 -0.973 1.00 45.31 H new ATOM 0 HD11 ILE A 34 10.067 -3.062 2.511 1.00 2.22 H new ATOM 0 HD12 ILE A 34 11.010 -3.998 1.328 1.00 2.22 H new ATOM 0 HD13 ILE A 34 9.922 -2.704 0.774 1.00 2.22 H new ATOM 442 N SER A 35 9.346 -7.953 0.745 1.00 51.31 N ATOM 443 CA SER A 35 9.823 -8.907 1.688 1.00 30.33 C ATOM 444 C SER A 35 10.683 -8.162 2.716 1.00 14.44 C ATOM 445 O SER A 35 11.024 -6.981 2.516 1.00 65.21 O ATOM 446 CB SER A 35 10.646 -9.989 0.975 1.00 30.31 C ATOM 447 OG SER A 35 11.775 -9.431 0.306 1.00 12.53 O ATOM 0 H SER A 35 9.949 -7.802 -0.064 1.00 51.31 H new ATOM 0 HA SER A 35 8.989 -9.401 2.187 1.00 30.33 H new ATOM 0 HB2 SER A 35 10.981 -10.730 1.701 1.00 30.31 H new ATOM 0 HB3 SER A 35 10.016 -10.511 0.255 1.00 30.31 H new ATOM 0 HG SER A 35 12.567 -9.979 0.487 1.00 12.53 H new ATOM 453 N GLU A 36 11.044 -8.834 3.782 1.00 51.14 N ATOM 454 CA GLU A 36 11.849 -8.255 4.855 1.00 22.30 C ATOM 455 C GLU A 36 13.259 -7.910 4.300 1.00 14.01 C ATOM 456 O GLU A 36 13.957 -7.044 4.825 1.00 40.31 O ATOM 457 CB GLU A 36 11.898 -9.261 6.033 1.00 60.53 C ATOM 458 CG GLU A 36 12.120 -8.697 7.445 1.00 53.05 C ATOM 459 CD GLU A 36 13.452 -8.067 7.680 1.00 34.13 C ATOM 460 OE1 GLU A 36 14.394 -8.790 8.065 1.00 45.52 O ATOM 461 OE2 GLU A 36 13.573 -6.849 7.521 1.00 22.32 O ATOM 0 H GLU A 36 10.790 -9.809 3.940 1.00 51.14 H new ATOM 0 HA GLU A 36 11.412 -7.328 5.228 1.00 22.30 H new ATOM 0 HB2 GLU A 36 10.961 -9.818 6.038 1.00 60.53 H new ATOM 0 HB3 GLU A 36 12.694 -9.978 5.829 1.00 60.53 H new ATOM 0 HG2 GLU A 36 11.346 -7.957 7.648 1.00 53.05 H new ATOM 0 HG3 GLU A 36 11.986 -9.504 8.165 1.00 53.05 H new ATOM 468 N ASP A 37 13.617 -8.525 3.159 1.00 54.50 N ATOM 469 CA ASP A 37 14.951 -8.357 2.547 1.00 31.10 C ATOM 470 C ASP A 37 15.121 -6.958 2.037 1.00 72.50 C ATOM 471 O ASP A 37 16.246 -6.531 1.792 1.00 64.13 O ATOM 472 CB ASP A 37 15.122 -9.227 1.284 1.00 21.34 C ATOM 473 CG ASP A 37 14.941 -10.690 1.457 1.00 50.24 C ATOM 474 OD1 ASP A 37 15.899 -11.376 1.876 1.00 42.11 O ATOM 475 OD2 ASP A 37 13.853 -11.186 1.114 1.00 40.55 O ATOM 0 H ASP A 37 12.998 -9.147 2.638 1.00 54.50 H new ATOM 0 HA ASP A 37 15.663 -8.625 3.328 1.00 31.10 H new ATOM 0 HB2 ASP A 37 14.411 -8.882 0.533 1.00 21.34 H new ATOM 0 HB3 ASP A 37 16.120 -9.052 0.882 1.00 21.34 H new ATOM 480 N CYS A 38 13.998 -6.243 1.857 1.00 52.14 N ATOM 481 CA CYS A 38 14.013 -4.893 1.291 1.00 62.41 C ATOM 482 C CYS A 38 14.528 -4.986 -0.144 1.00 45.43 C ATOM 483 O CYS A 38 15.195 -4.097 -0.656 1.00 65.05 O ATOM 484 CB CYS A 38 14.886 -3.961 2.165 1.00 51.42 C ATOM 485 SG CYS A 38 14.397 -3.980 3.899 1.00 71.02 S ATOM 0 H CYS A 38 13.067 -6.583 2.098 1.00 52.14 H new ATOM 0 HA CYS A 38 13.011 -4.465 1.278 1.00 62.41 H new ATOM 0 HB2 CYS A 38 15.930 -4.264 2.082 1.00 51.42 H new ATOM 0 HB3 CYS A 38 14.818 -2.942 1.783 1.00 51.42 H new ATOM 0 HG CYS A 38 14.194 -5.206 4.279 1.00 71.02 H new ATOM 491 N ARG A 39 14.179 -6.098 -0.781 1.00 33.14 N ATOM 492 CA ARG A 39 14.538 -6.395 -2.115 1.00 22.32 C ATOM 493 C ARG A 39 13.421 -5.950 -3.051 1.00 74.01 C ATOM 494 O ARG A 39 12.385 -6.604 -3.144 1.00 44.43 O ATOM 495 CB ARG A 39 14.750 -7.903 -2.245 1.00 53.14 C ATOM 496 CG ARG A 39 15.028 -8.355 -3.644 1.00 65.33 C ATOM 497 CD ARG A 39 15.079 -9.872 -3.756 1.00 10.52 C ATOM 498 NE ARG A 39 16.169 -10.482 -2.980 1.00 51.12 N ATOM 499 CZ ARG A 39 16.380 -11.805 -2.898 1.00 75.13 C ATOM 500 NH1 ARG A 39 15.553 -12.651 -3.508 1.00 62.23 N ATOM 501 NH2 ARG A 39 17.411 -12.277 -2.201 1.00 0.31 N ATOM 0 H ARG A 39 13.617 -6.829 -0.344 1.00 33.14 H new ATOM 0 HA ARG A 39 15.456 -5.871 -2.380 1.00 22.32 H new ATOM 0 HB2 ARG A 39 15.581 -8.200 -1.605 1.00 53.14 H new ATOM 0 HB3 ARG A 39 13.863 -8.418 -1.876 1.00 53.14 H new ATOM 0 HG2 ARG A 39 14.256 -7.969 -4.310 1.00 65.33 H new ATOM 0 HG3 ARG A 39 15.977 -7.935 -3.978 1.00 65.33 H new ATOM 0 HD2 ARG A 39 14.128 -10.285 -3.419 1.00 10.52 H new ATOM 0 HD3 ARG A 39 15.192 -10.147 -4.805 1.00 10.52 H new ATOM 0 HE ARG A 39 16.802 -9.863 -2.474 1.00 51.12 H new ATOM 0 HH11 ARG A 39 14.758 -12.294 -4.038 1.00 62.23 H new ATOM 0 HH12 ARG A 39 15.714 -13.656 -3.445 1.00 62.23 H new ATOM 0 HH21 ARG A 39 18.044 -11.633 -1.727 1.00 0.31 H new ATOM 0 HH22 ARG A 39 17.568 -13.283 -2.141 1.00 0.31 H new ATOM 513 N MET A 40 13.602 -4.819 -3.686 1.00 64.01 N ATOM 514 CA MET A 40 12.619 -4.327 -4.641 1.00 35.23 C ATOM 515 C MET A 40 12.996 -4.723 -6.052 1.00 21.13 C ATOM 516 O MET A 40 12.418 -4.231 -6.999 1.00 30.10 O ATOM 517 CB MET A 40 12.455 -2.798 -4.599 1.00 14.21 C ATOM 518 CG MET A 40 12.036 -2.202 -3.271 1.00 14.13 C ATOM 519 SD MET A 40 13.367 -2.166 -2.080 1.00 52.02 S ATOM 520 CE MET A 40 12.554 -1.395 -0.706 1.00 12.41 C ATOM 0 H MET A 40 14.416 -4.217 -3.565 1.00 64.01 H new ATOM 0 HA MET A 40 11.672 -4.784 -4.352 1.00 35.23 H new ATOM 0 HB2 MET A 40 13.401 -2.345 -4.894 1.00 14.21 H new ATOM 0 HB3 MET A 40 11.718 -2.513 -5.349 1.00 14.21 H new ATOM 0 HG2 MET A 40 11.671 -1.188 -3.432 1.00 14.13 H new ATOM 0 HG3 MET A 40 11.206 -2.779 -2.864 1.00 14.13 H new ATOM 0 HE1 MET A 40 13.203 -0.628 -0.283 1.00 12.41 H new ATOM 0 HE2 MET A 40 11.624 -0.938 -1.043 1.00 12.41 H new ATOM 0 HE3 MET A 40 12.335 -2.145 0.054 1.00 12.41 H new ATOM 530 N GLY A 41 13.950 -5.627 -6.186 1.00 43.24 N ATOM 531 CA GLY A 41 14.467 -6.014 -7.498 1.00 44.15 C ATOM 532 C GLY A 41 13.529 -6.891 -8.331 1.00 40.32 C ATOM 533 O GLY A 41 13.983 -7.872 -8.942 1.00 64.05 O ATOM 0 H GLY A 41 14.388 -6.112 -5.402 1.00 43.24 H new ATOM 0 HA2 GLY A 41 14.692 -5.110 -8.064 1.00 44.15 H new ATOM 0 HA3 GLY A 41 15.408 -6.546 -7.358 1.00 44.15 H new ATOM 537 N ALA A 42 12.243 -6.538 -8.343 1.00 73.34 N ATOM 538 CA ALA A 42 11.203 -7.193 -9.131 1.00 75.35 C ATOM 539 C ALA A 42 9.858 -6.580 -8.805 1.00 74.32 C ATOM 540 O ALA A 42 9.701 -5.910 -7.770 1.00 52.51 O ATOM 541 CB ALA A 42 11.140 -8.699 -8.890 1.00 53.45 C ATOM 0 H ALA A 42 11.887 -5.762 -7.785 1.00 73.34 H new ATOM 0 HA ALA A 42 11.453 -7.040 -10.181 1.00 75.35 H new ATOM 0 HB1 ALA A 42 10.349 -9.133 -9.502 1.00 53.45 H new ATOM 0 HB2 ALA A 42 12.095 -9.151 -9.158 1.00 53.45 H new ATOM 0 HB3 ALA A 42 10.931 -8.891 -7.838 1.00 53.45 H new ATOM 547 N GLY A 43 8.905 -6.801 -9.690 1.00 21.14 N ATOM 548 CA GLY A 43 7.563 -6.342 -9.490 1.00 63.33 C ATOM 549 C GLY A 43 7.441 -4.842 -9.506 1.00 70.12 C ATOM 550 O GLY A 43 8.310 -4.138 -10.009 1.00 4.44 O ATOM 0 H GLY A 43 9.049 -7.305 -10.565 1.00 21.14 H new ATOM 0 HA2 GLY A 43 6.923 -6.760 -10.267 1.00 63.33 H new ATOM 0 HA3 GLY A 43 7.195 -6.720 -8.536 1.00 63.33 H new ATOM 554 N ILE A 44 6.360 -4.358 -8.963 1.00 44.41 N ATOM 555 CA ILE A 44 6.093 -2.935 -8.897 1.00 51.00 C ATOM 556 C ILE A 44 7.026 -2.238 -7.867 1.00 54.11 C ATOM 557 O ILE A 44 7.261 -1.023 -7.931 1.00 40.51 O ATOM 558 CB ILE A 44 4.603 -2.678 -8.539 1.00 51.13 C ATOM 559 CG1 ILE A 44 4.283 -1.184 -8.598 1.00 25.14 C ATOM 560 CG2 ILE A 44 4.262 -3.267 -7.167 1.00 33.31 C ATOM 561 CD1 ILE A 44 2.854 -0.836 -8.269 1.00 65.14 C ATOM 0 H ILE A 44 5.630 -4.937 -8.549 1.00 44.41 H new ATOM 0 HA ILE A 44 6.295 -2.508 -9.879 1.00 51.00 H new ATOM 0 HB ILE A 44 3.981 -3.182 -9.279 1.00 51.13 H new ATOM 0 HG12 ILE A 44 4.940 -0.657 -7.906 1.00 25.14 H new ATOM 0 HG13 ILE A 44 4.512 -0.816 -9.598 1.00 25.14 H new ATOM 0 HG21 ILE A 44 3.214 -3.074 -6.939 1.00 33.31 H new ATOM 0 HG22 ILE A 44 4.439 -4.342 -7.179 1.00 33.31 H new ATOM 0 HG23 ILE A 44 4.890 -2.804 -6.406 1.00 33.31 H new ATOM 0 HD11 ILE A 44 2.718 0.243 -8.336 1.00 65.14 H new ATOM 0 HD12 ILE A 44 2.187 -1.330 -8.976 1.00 65.14 H new ATOM 0 HD13 ILE A 44 2.622 -1.169 -7.257 1.00 65.14 H new ATOM 568 N ALA A 45 7.584 -3.037 -6.953 1.00 25.44 N ATOM 569 CA ALA A 45 8.403 -2.533 -5.857 1.00 0.31 C ATOM 570 C ALA A 45 9.623 -1.762 -6.348 1.00 73.43 C ATOM 571 O ALA A 45 10.064 -0.799 -5.696 1.00 72.34 O ATOM 572 CB ALA A 45 8.815 -3.671 -4.925 1.00 0.31 C ATOM 0 H ALA A 45 7.478 -4.051 -6.956 1.00 25.44 H new ATOM 0 HA ALA A 45 7.789 -1.827 -5.297 1.00 0.31 H new ATOM 0 HB1 ALA A 45 9.425 -3.274 -4.114 1.00 0.31 H new ATOM 0 HB2 ALA A 45 7.924 -4.143 -4.511 1.00 0.31 H new ATOM 0 HB3 ALA A 45 9.390 -4.409 -5.484 1.00 0.31 H new ATOM 578 N VAL A 46 10.145 -2.158 -7.504 1.00 42.11 N ATOM 579 CA VAL A 46 11.332 -1.530 -8.071 1.00 51.45 C ATOM 580 C VAL A 46 11.112 -0.046 -8.405 1.00 22.35 C ATOM 581 O VAL A 46 12.009 0.777 -8.194 1.00 44.14 O ATOM 582 CB VAL A 46 11.927 -2.332 -9.289 1.00 21.43 C ATOM 583 CG1 VAL A 46 10.932 -2.494 -10.422 1.00 43.54 C ATOM 584 CG2 VAL A 46 13.227 -1.712 -9.792 1.00 20.53 C ATOM 0 H VAL A 46 9.762 -2.916 -8.069 1.00 42.11 H new ATOM 0 HA VAL A 46 12.088 -1.563 -7.286 1.00 51.45 H new ATOM 0 HB VAL A 46 12.151 -3.331 -8.914 1.00 21.43 H new ATOM 0 HG11 VAL A 46 11.394 -3.054 -11.235 1.00 43.54 H new ATOM 0 HG12 VAL A 46 10.056 -3.033 -10.062 1.00 43.54 H new ATOM 0 HG13 VAL A 46 10.630 -1.511 -10.784 1.00 43.54 H new ATOM 0 HG21 VAL A 46 13.606 -2.294 -10.632 1.00 20.53 H new ATOM 0 HG22 VAL A 46 13.041 -0.688 -10.114 1.00 20.53 H new ATOM 0 HG23 VAL A 46 13.964 -1.711 -8.989 1.00 20.53 H new ATOM 590 N LEU A 47 9.909 0.313 -8.855 1.00 15.42 N ATOM 591 CA LEU A 47 9.657 1.703 -9.209 1.00 44.22 C ATOM 592 C LEU A 47 9.575 2.557 -7.954 1.00 42.55 C ATOM 593 O LEU A 47 10.013 3.705 -7.947 1.00 24.53 O ATOM 594 CB LEU A 47 8.393 1.923 -10.080 1.00 64.31 C ATOM 595 CG LEU A 47 8.287 1.182 -11.430 1.00 42.23 C ATOM 596 CD1 LEU A 47 7.907 -0.277 -11.242 1.00 40.35 C ATOM 597 CD2 LEU A 47 7.301 1.883 -12.351 1.00 52.14 C ATOM 0 H LEU A 47 9.119 -0.320 -8.979 1.00 15.42 H new ATOM 0 HA LEU A 47 10.503 2.008 -9.825 1.00 44.22 H new ATOM 0 HB2 LEU A 47 7.526 1.645 -9.481 1.00 64.31 H new ATOM 0 HB3 LEU A 47 8.312 2.991 -10.282 1.00 64.31 H new ATOM 0 HG LEU A 47 9.272 1.205 -11.896 1.00 42.23 H new ATOM 0 HD11 LEU A 47 7.842 -0.764 -12.215 1.00 40.35 H new ATOM 0 HD12 LEU A 47 8.664 -0.775 -10.636 1.00 40.35 H new ATOM 0 HD13 LEU A 47 6.942 -0.340 -10.740 1.00 40.35 H new ATOM 0 HD21 LEU A 47 7.241 1.345 -13.297 1.00 52.14 H new ATOM 0 HD22 LEU A 47 6.317 1.904 -11.882 1.00 52.14 H new ATOM 0 HD23 LEU A 47 7.637 2.903 -12.535 1.00 52.14 H new ATOM 605 N PHE A 48 9.035 1.983 -6.875 1.00 74.04 N ATOM 606 CA PHE A 48 8.949 2.703 -5.606 1.00 35.53 C ATOM 607 C PHE A 48 10.338 2.986 -5.048 1.00 33.23 C ATOM 608 O PHE A 48 10.580 4.053 -4.490 1.00 72.41 O ATOM 609 CB PHE A 48 8.123 1.956 -4.541 1.00 3.22 C ATOM 610 CG PHE A 48 6.647 1.793 -4.819 1.00 55.55 C ATOM 611 CD1 PHE A 48 5.735 2.818 -4.545 1.00 24.15 C ATOM 612 CD2 PHE A 48 6.156 0.603 -5.312 1.00 63.24 C ATOM 613 CE1 PHE A 48 4.411 2.640 -4.769 1.00 44.35 C ATOM 614 CE2 PHE A 48 4.807 0.433 -5.524 1.00 61.14 C ATOM 615 CZ PHE A 48 3.939 1.463 -5.250 1.00 40.22 C ATOM 0 H PHE A 48 8.657 1.036 -6.856 1.00 74.04 H new ATOM 0 HA PHE A 48 8.436 3.638 -5.829 1.00 35.53 H new ATOM 0 HB2 PHE A 48 8.556 0.964 -4.408 1.00 3.22 H new ATOM 0 HB3 PHE A 48 8.235 2.482 -3.593 1.00 3.22 H new ATOM 0 HD1 PHE A 48 6.090 3.759 -4.152 1.00 24.15 H new ATOM 0 HD2 PHE A 48 6.838 -0.205 -5.534 1.00 63.24 H new ATOM 0 HE1 PHE A 48 3.722 3.446 -4.562 1.00 44.35 H new ATOM 0 HE2 PHE A 48 4.432 -0.506 -5.904 1.00 61.14 H new ATOM 0 HZ PHE A 48 2.880 1.335 -5.418 1.00 40.22 H new ATOM 625 N LYS A 49 11.255 2.027 -5.189 1.00 65.43 N ATOM 626 CA LYS A 49 12.599 2.210 -4.701 1.00 34.20 C ATOM 627 C LYS A 49 13.297 3.288 -5.502 1.00 62.34 C ATOM 628 O LYS A 49 14.012 4.115 -4.957 1.00 30.32 O ATOM 629 CB LYS A 49 13.391 0.925 -4.819 1.00 42.31 C ATOM 630 CG LYS A 49 14.758 1.019 -4.187 1.00 42.15 C ATOM 631 CD LYS A 49 15.556 -0.248 -4.359 1.00 11.02 C ATOM 632 CE LYS A 49 15.996 -0.461 -5.792 1.00 53.42 C ATOM 633 NZ LYS A 49 16.887 -1.632 -5.919 1.00 1.21 N ATOM 0 H LYS A 49 11.082 1.126 -5.635 1.00 65.43 H new ATOM 0 HA LYS A 49 12.541 2.502 -3.652 1.00 34.20 H new ATOM 0 HB2 LYS A 49 12.833 0.116 -4.348 1.00 42.31 H new ATOM 0 HB3 LYS A 49 13.500 0.666 -5.872 1.00 42.31 H new ATOM 0 HG2 LYS A 49 15.304 1.852 -4.629 1.00 42.15 H new ATOM 0 HG3 LYS A 49 14.650 1.237 -3.124 1.00 42.15 H new ATOM 0 HD2 LYS A 49 16.434 -0.212 -3.714 1.00 11.02 H new ATOM 0 HD3 LYS A 49 14.957 -1.099 -4.035 1.00 11.02 H new ATOM 0 HE2 LYS A 49 15.120 -0.599 -6.425 1.00 53.42 H new ATOM 0 HE3 LYS A 49 16.511 0.430 -6.151 1.00 53.42 H new ATOM 0 HZ1 LYS A 49 17.169 -1.748 -6.913 1.00 1.21 H new ATOM 0 HZ2 LYS A 49 17.735 -1.488 -5.334 1.00 1.21 H new ATOM 0 HZ3 LYS A 49 16.386 -2.486 -5.599 1.00 1.21 H new ATOM 647 N LYS A 50 13.068 3.269 -6.783 1.00 53.12 N ATOM 648 CA LYS A 50 13.661 4.182 -7.702 1.00 73.44 C ATOM 649 C LYS A 50 13.132 5.608 -7.492 1.00 21.32 C ATOM 650 O LYS A 50 13.911 6.559 -7.382 1.00 54.02 O ATOM 651 CB LYS A 50 13.427 3.610 -9.134 1.00 21.55 C ATOM 652 CG LYS A 50 13.796 4.471 -10.336 1.00 14.12 C ATOM 653 CD LYS A 50 12.781 5.573 -10.566 1.00 1.54 C ATOM 654 CE LYS A 50 13.053 6.332 -11.845 1.00 72.24 C ATOM 655 NZ LYS A 50 12.968 5.458 -13.035 1.00 75.23 N ATOM 0 H LYS A 50 12.443 2.595 -7.225 1.00 53.12 H new ATOM 0 HA LYS A 50 14.735 4.275 -7.541 1.00 73.44 H new ATOM 0 HB2 LYS A 50 13.985 2.677 -9.212 1.00 21.55 H new ATOM 0 HB3 LYS A 50 12.370 3.358 -9.220 1.00 21.55 H new ATOM 0 HG2 LYS A 50 14.782 4.910 -10.181 1.00 14.12 H new ATOM 0 HG3 LYS A 50 13.862 3.845 -11.226 1.00 14.12 H new ATOM 0 HD2 LYS A 50 11.780 5.143 -10.605 1.00 1.54 H new ATOM 0 HD3 LYS A 50 12.798 6.264 -9.723 1.00 1.54 H new ATOM 0 HE2 LYS A 50 12.337 7.148 -11.942 1.00 72.24 H new ATOM 0 HE3 LYS A 50 14.044 6.782 -11.796 1.00 72.24 H new ATOM 0 HZ1 LYS A 50 12.838 6.042 -13.886 1.00 75.23 H new ATOM 0 HZ2 LYS A 50 13.845 4.906 -13.124 1.00 75.23 H new ATOM 0 HZ3 LYS A 50 12.161 4.810 -12.933 1.00 75.23 H new ATOM 669 N LYS A 51 11.828 5.748 -7.409 1.00 25.34 N ATOM 670 CA LYS A 51 11.219 7.048 -7.296 1.00 34.10 C ATOM 671 C LYS A 51 11.256 7.604 -5.867 1.00 32.12 C ATOM 672 O LYS A 51 11.609 8.768 -5.660 1.00 2.13 O ATOM 673 CB LYS A 51 9.776 6.996 -7.809 1.00 54.24 C ATOM 674 CG LYS A 51 9.062 8.324 -7.744 1.00 32.43 C ATOM 675 CD LYS A 51 7.647 8.230 -8.272 1.00 11.40 C ATOM 676 CE LYS A 51 6.951 9.578 -8.201 1.00 53.34 C ATOM 677 NZ LYS A 51 7.674 10.614 -8.966 1.00 30.52 N ATOM 0 H LYS A 51 11.168 4.970 -7.418 1.00 25.34 H new ATOM 0 HA LYS A 51 11.806 7.730 -7.911 1.00 34.10 H new ATOM 0 HB2 LYS A 51 9.779 6.645 -8.841 1.00 54.24 H new ATOM 0 HB3 LYS A 51 9.218 6.264 -7.225 1.00 54.24 H new ATOM 0 HG2 LYS A 51 9.042 8.675 -6.712 1.00 32.43 H new ATOM 0 HG3 LYS A 51 9.617 9.063 -8.322 1.00 32.43 H new ATOM 0 HD2 LYS A 51 7.662 7.878 -9.304 1.00 11.40 H new ATOM 0 HD3 LYS A 51 7.087 7.496 -7.693 1.00 11.40 H new ATOM 0 HE2 LYS A 51 5.936 9.483 -8.588 1.00 53.34 H new ATOM 0 HE3 LYS A 51 6.867 9.888 -7.160 1.00 53.34 H new ATOM 0 HZ1 LYS A 51 7.043 11.423 -9.136 1.00 30.52 H new ATOM 0 HZ2 LYS A 51 8.504 10.930 -8.424 1.00 30.52 H new ATOM 0 HZ3 LYS A 51 7.985 10.220 -9.877 1.00 30.52 H new ATOM 691 N PHE A 52 10.919 6.787 -4.894 1.00 4.43 N ATOM 692 CA PHE A 52 10.798 7.277 -3.527 1.00 4.44 C ATOM 693 C PHE A 52 12.065 7.038 -2.697 1.00 11.53 C ATOM 694 O PHE A 52 12.468 7.898 -1.920 1.00 60.03 O ATOM 695 CB PHE A 52 9.545 6.698 -2.845 1.00 52.15 C ATOM 696 CG PHE A 52 8.255 7.024 -3.582 1.00 53.13 C ATOM 697 CD1 PHE A 52 7.692 8.291 -3.510 1.00 50.40 C ATOM 698 CD2 PHE A 52 7.619 6.065 -4.356 1.00 31.04 C ATOM 699 CE1 PHE A 52 6.527 8.592 -4.192 1.00 23.31 C ATOM 700 CE2 PHE A 52 6.456 6.362 -5.041 1.00 55.03 C ATOM 701 CZ PHE A 52 5.909 7.626 -4.957 1.00 35.02 C ATOM 0 H PHE A 52 10.725 5.793 -5.014 1.00 4.43 H new ATOM 0 HA PHE A 52 10.679 8.359 -3.585 1.00 4.44 H new ATOM 0 HB2 PHE A 52 9.648 5.616 -2.769 1.00 52.15 H new ATOM 0 HB3 PHE A 52 9.482 7.084 -1.828 1.00 52.15 H new ATOM 0 HD1 PHE A 52 8.171 9.053 -2.913 1.00 50.40 H new ATOM 0 HD2 PHE A 52 8.038 5.072 -4.424 1.00 31.04 H new ATOM 0 HE1 PHE A 52 6.102 9.583 -4.125 1.00 23.31 H new ATOM 0 HE2 PHE A 52 5.975 5.605 -5.642 1.00 55.03 H new ATOM 0 HZ PHE A 52 4.999 7.858 -5.490 1.00 35.02 H new ATOM 711 N GLY A 53 12.696 5.889 -2.879 1.00 55.45 N ATOM 712 CA GLY A 53 13.925 5.589 -2.141 1.00 22.33 C ATOM 713 C GLY A 53 13.646 5.157 -0.710 1.00 43.44 C ATOM 714 O GLY A 53 13.913 5.898 0.240 1.00 40.12 O ATOM 0 H GLY A 53 12.389 5.156 -3.519 1.00 55.45 H new ATOM 0 HA2 GLY A 53 14.473 4.800 -2.656 1.00 22.33 H new ATOM 0 HA3 GLY A 53 14.567 6.470 -2.134 1.00 22.33 H new ATOM 718 N GLY A 54 13.092 3.974 -0.566 1.00 72.22 N ATOM 719 CA GLY A 54 12.722 3.457 0.738 1.00 63.23 C ATOM 720 C GLY A 54 13.801 2.712 1.505 1.00 61.02 C ATOM 721 O GLY A 54 13.784 2.714 2.730 1.00 32.51 O ATOM 0 H GLY A 54 12.885 3.345 -1.342 1.00 72.22 H new ATOM 0 HA2 GLY A 54 12.382 4.291 1.352 1.00 63.23 H new ATOM 0 HA3 GLY A 54 11.871 2.788 0.610 1.00 63.23 H new ATOM 725 N VAL A 55 14.753 2.115 0.788 1.00 72.42 N ATOM 726 CA VAL A 55 15.693 1.117 1.367 1.00 23.35 C ATOM 727 C VAL A 55 16.380 1.551 2.670 1.00 71.51 C ATOM 728 O VAL A 55 16.233 0.879 3.678 1.00 22.43 O ATOM 729 CB VAL A 55 16.776 0.694 0.336 1.00 34.34 C ATOM 730 CG1 VAL A 55 17.723 -0.353 0.921 1.00 31.40 C ATOM 731 CG2 VAL A 55 16.123 0.166 -0.919 1.00 3.21 C ATOM 0 H VAL A 55 14.905 2.298 -0.204 1.00 72.42 H new ATOM 0 HA VAL A 55 15.055 0.270 1.621 1.00 23.35 H new ATOM 0 HB VAL A 55 17.366 1.576 0.087 1.00 34.34 H new ATOM 0 HG11 VAL A 55 18.468 -0.627 0.174 1.00 31.40 H new ATOM 0 HG12 VAL A 55 18.222 0.058 1.798 1.00 31.40 H new ATOM 0 HG13 VAL A 55 17.155 -1.238 1.208 1.00 31.40 H new ATOM 0 HG21 VAL A 55 16.892 -0.127 -1.634 1.00 3.21 H new ATOM 0 HG22 VAL A 55 15.508 -0.699 -0.673 1.00 3.21 H new ATOM 0 HG23 VAL A 55 15.497 0.943 -1.358 1.00 3.21 H new ATOM 737 N GLN A 56 17.048 2.685 2.677 1.00 71.43 N ATOM 738 CA GLN A 56 17.797 3.103 3.852 1.00 12.22 C ATOM 739 C GLN A 56 16.875 3.383 5.028 1.00 30.12 C ATOM 740 O GLN A 56 17.190 3.072 6.189 1.00 11.23 O ATOM 741 CB GLN A 56 18.665 4.323 3.538 1.00 12.43 C ATOM 742 CG GLN A 56 19.409 4.857 4.738 1.00 10.22 C ATOM 743 CD GLN A 56 20.337 3.825 5.364 1.00 60.10 C ATOM 744 OE1 GLN A 56 20.868 2.946 4.683 1.00 4.22 O ATOM 745 NE2 GLN A 56 20.521 3.908 6.650 1.00 3.44 N ATOM 0 H GLN A 56 17.090 3.333 1.890 1.00 71.43 H new ATOM 0 HA GLN A 56 18.453 2.280 4.136 1.00 12.22 H new ATOM 0 HB2 GLN A 56 19.384 4.058 2.763 1.00 12.43 H new ATOM 0 HB3 GLN A 56 18.034 5.113 3.130 1.00 12.43 H new ATOM 0 HG2 GLN A 56 19.991 5.729 4.440 1.00 10.22 H new ATOM 0 HG3 GLN A 56 18.690 5.193 5.485 1.00 10.22 H new ATOM 0 HE21 GLN A 56 20.066 4.649 7.184 1.00 3.44 H new ATOM 0 HE22 GLN A 56 21.120 3.232 7.124 1.00 3.44 H new ATOM 753 N GLU A 57 15.743 3.936 4.730 1.00 32.31 N ATOM 754 CA GLU A 57 14.776 4.259 5.742 1.00 73.13 C ATOM 755 C GLU A 57 14.164 3.005 6.339 1.00 44.30 C ATOM 756 O GLU A 57 13.844 2.974 7.520 1.00 21.43 O ATOM 757 CB GLU A 57 13.697 5.182 5.215 1.00 21.01 C ATOM 758 CG GLU A 57 14.207 6.496 4.660 1.00 25.01 C ATOM 759 CD GLU A 57 15.017 7.272 5.663 1.00 54.34 C ATOM 760 OE1 GLU A 57 14.458 7.677 6.703 1.00 11.45 O ATOM 761 OE2 GLU A 57 16.233 7.477 5.438 1.00 10.24 O ATOM 0 H GLU A 57 15.458 4.178 3.781 1.00 32.31 H new ATOM 0 HA GLU A 57 15.307 4.789 6.533 1.00 73.13 H new ATOM 0 HB2 GLU A 57 13.143 4.663 4.433 1.00 21.01 H new ATOM 0 HB3 GLU A 57 12.992 5.392 6.019 1.00 21.01 H new ATOM 0 HG2 GLU A 57 14.817 6.301 3.778 1.00 25.01 H new ATOM 0 HG3 GLU A 57 13.361 7.102 4.335 1.00 25.01 H new ATOM 768 N LEU A 58 14.000 1.982 5.529 1.00 74.40 N ATOM 769 CA LEU A 58 13.426 0.731 5.996 1.00 15.23 C ATOM 770 C LEU A 58 14.303 0.120 7.065 1.00 63.12 C ATOM 771 O LEU A 58 13.807 -0.355 8.094 1.00 33.14 O ATOM 772 CB LEU A 58 13.244 -0.248 4.845 1.00 53.43 C ATOM 773 CG LEU A 58 12.387 0.241 3.689 1.00 5.14 C ATOM 774 CD1 LEU A 58 12.236 -0.823 2.652 1.00 74.15 C ATOM 775 CD2 LEU A 58 11.038 0.719 4.167 1.00 54.14 C ATOM 0 H LEU A 58 14.255 1.988 4.541 1.00 74.40 H new ATOM 0 HA LEU A 58 12.445 0.945 6.421 1.00 15.23 H new ATOM 0 HB2 LEU A 58 14.228 -0.510 4.457 1.00 53.43 H new ATOM 0 HB3 LEU A 58 12.802 -1.163 5.238 1.00 53.43 H new ATOM 0 HG LEU A 58 12.898 1.090 3.235 1.00 5.14 H new ATOM 0 HD11 LEU A 58 11.619 -0.450 1.835 1.00 74.15 H new ATOM 0 HD12 LEU A 58 13.218 -1.099 2.268 1.00 74.15 H new ATOM 0 HD13 LEU A 58 11.761 -1.698 3.095 1.00 74.15 H new ATOM 0 HD21 LEU A 58 10.451 1.062 3.315 1.00 54.14 H new ATOM 0 HD22 LEU A 58 10.516 -0.100 4.662 1.00 54.14 H new ATOM 0 HD23 LEU A 58 11.171 1.541 4.870 1.00 54.14 H new ATOM 783 N LEU A 59 15.604 0.154 6.832 1.00 64.12 N ATOM 784 CA LEU A 59 16.554 -0.357 7.790 1.00 62.12 C ATOM 785 C LEU A 59 16.536 0.441 9.097 1.00 43.20 C ATOM 786 O LEU A 59 16.620 -0.146 10.177 1.00 52.22 O ATOM 787 CB LEU A 59 17.999 -0.458 7.224 1.00 13.50 C ATOM 788 CG LEU A 59 18.313 -1.596 6.205 1.00 23.34 C ATOM 789 CD1 LEU A 59 17.533 -1.476 4.918 1.00 43.12 C ATOM 790 CD2 LEU A 59 19.804 -1.664 5.926 1.00 63.01 C ATOM 0 H LEU A 59 16.022 0.533 5.982 1.00 64.12 H new ATOM 0 HA LEU A 59 16.229 -1.374 8.009 1.00 62.12 H new ATOM 0 HB2 LEU A 59 18.236 0.492 6.746 1.00 13.50 H new ATOM 0 HB3 LEU A 59 18.680 -0.569 8.068 1.00 13.50 H new ATOM 0 HG LEU A 59 17.991 -2.527 6.671 1.00 23.34 H new ATOM 0 HD11 LEU A 59 17.798 -2.298 4.254 1.00 43.12 H new ATOM 0 HD12 LEU A 59 16.465 -1.515 5.135 1.00 43.12 H new ATOM 0 HD13 LEU A 59 17.771 -0.528 4.435 1.00 43.12 H new ATOM 0 HD21 LEU A 59 20.005 -2.464 5.213 1.00 63.01 H new ATOM 0 HD22 LEU A 59 20.140 -0.714 5.510 1.00 63.01 H new ATOM 0 HD23 LEU A 59 20.339 -1.863 6.854 1.00 63.01 H new ATOM 798 N ASN A 60 16.382 1.769 9.020 1.00 61.21 N ATOM 799 CA ASN A 60 16.412 2.563 10.259 1.00 62.04 C ATOM 800 C ASN A 60 15.095 2.495 11.035 1.00 61.42 C ATOM 801 O ASN A 60 15.055 2.788 12.226 1.00 13.15 O ATOM 802 CB ASN A 60 16.871 4.038 10.081 1.00 32.32 C ATOM 803 CG ASN A 60 15.908 4.966 9.368 1.00 53.24 C ATOM 804 OD1 ASN A 60 16.202 5.282 8.144 1.00 63.22 O flip ATOM 805 ND2 ASN A 60 14.970 5.484 9.960 1.00 3.24 N flip ATOM 0 H ASN A 60 16.242 2.298 8.159 1.00 61.21 H new ATOM 0 HA ASN A 60 17.188 2.080 10.854 1.00 62.04 H new ATOM 0 HB2 ASN A 60 17.076 4.453 11.068 1.00 32.32 H new ATOM 0 HB3 ASN A 60 17.813 4.038 9.533 1.00 32.32 H new ATOM 0 HD21 ASN A 60 14.763 5.215 10.922 1.00 3.24 H new ATOM 0 HD22 ASN A 60 14.395 6.184 9.491 1.00 3.24 H new ATOM 811 N GLN A 61 14.030 2.097 10.368 1.00 64.42 N ATOM 812 CA GLN A 61 12.733 1.975 11.024 1.00 11.21 C ATOM 813 C GLN A 61 12.637 0.728 11.890 1.00 71.44 C ATOM 814 O GLN A 61 11.895 0.714 12.885 1.00 40.23 O ATOM 815 CB GLN A 61 11.588 2.036 10.017 1.00 14.52 C ATOM 816 CG GLN A 61 11.393 3.413 9.417 1.00 5.01 C ATOM 817 CD GLN A 61 10.304 3.449 8.377 1.00 11.35 C ATOM 818 OE1 GLN A 61 9.135 3.670 8.687 1.00 52.10 O ATOM 819 NE2 GLN A 61 10.676 3.252 7.137 1.00 10.10 N ATOM 0 H GLN A 61 14.031 1.853 9.378 1.00 64.42 H new ATOM 0 HA GLN A 61 12.640 2.833 11.690 1.00 11.21 H new ATOM 0 HB2 GLN A 61 11.779 1.322 9.216 1.00 14.52 H new ATOM 0 HB3 GLN A 61 10.665 1.726 10.507 1.00 14.52 H new ATOM 0 HG2 GLN A 61 11.153 4.120 10.212 1.00 5.01 H new ATOM 0 HG3 GLN A 61 12.329 3.744 8.967 1.00 5.01 H new ATOM 0 HE21 GLN A 61 11.656 3.072 6.921 1.00 10.10 H new ATOM 0 HE22 GLN A 61 9.985 3.279 6.387 1.00 10.10 H new ATOM 827 N GLN A 62 13.399 -0.302 11.519 1.00 20.22 N ATOM 828 CA GLN A 62 13.429 -1.576 12.243 1.00 42.21 C ATOM 829 C GLN A 62 12.101 -2.285 12.226 1.00 70.42 C ATOM 830 O GLN A 62 11.239 -2.092 13.093 1.00 35.11 O ATOM 831 CB GLN A 62 13.979 -1.430 13.656 1.00 45.35 C ATOM 832 CG GLN A 62 15.445 -1.090 13.684 1.00 34.24 C ATOM 833 CD GLN A 62 16.309 -2.235 13.215 1.00 74.42 C ATOM 834 OE1 GLN A 62 16.730 -3.072 14.009 1.00 65.10 O ATOM 835 NE2 GLN A 62 16.606 -2.273 11.946 1.00 24.04 N ATOM 0 H GLN A 62 14.015 -0.277 10.706 1.00 20.22 H new ATOM 0 HA GLN A 62 14.127 -2.213 11.699 1.00 42.21 H new ATOM 0 HB2 GLN A 62 13.421 -0.653 14.179 1.00 45.35 H new ATOM 0 HB3 GLN A 62 13.817 -2.360 14.201 1.00 45.35 H new ATOM 0 HG2 GLN A 62 15.626 -0.220 13.053 1.00 34.24 H new ATOM 0 HG3 GLN A 62 15.732 -0.813 14.699 1.00 34.24 H new ATOM 0 HE21 GLN A 62 16.239 -1.561 11.315 1.00 24.04 H new ATOM 0 HE22 GLN A 62 17.206 -3.015 11.585 1.00 24.04 H new ATOM 843 N LYS A 63 11.933 -3.060 11.223 1.00 65.24 N ATOM 844 CA LYS A 63 10.739 -3.818 11.023 1.00 42.33 C ATOM 845 C LYS A 63 11.049 -5.295 10.769 1.00 60.31 C ATOM 846 O LYS A 63 12.178 -5.657 10.437 1.00 11.13 O ATOM 847 CB LYS A 63 9.883 -3.200 9.877 1.00 12.32 C ATOM 848 CG LYS A 63 10.689 -2.746 8.640 1.00 55.14 C ATOM 849 CD LYS A 63 11.600 -3.839 8.136 1.00 21.14 C ATOM 850 CE LYS A 63 12.471 -3.389 6.997 1.00 74.12 C ATOM 851 NZ LYS A 63 13.572 -4.339 6.769 1.00 40.41 N ATOM 0 H LYS A 63 12.634 -3.195 10.495 1.00 65.24 H new ATOM 0 HA LYS A 63 10.150 -3.772 11.939 1.00 42.33 H new ATOM 0 HB2 LYS A 63 9.141 -3.933 9.561 1.00 12.32 H new ATOM 0 HB3 LYS A 63 9.337 -2.343 10.272 1.00 12.32 H new ATOM 0 HG2 LYS A 63 10.002 -2.450 7.847 1.00 55.14 H new ATOM 0 HG3 LYS A 63 11.281 -1.867 8.894 1.00 55.14 H new ATOM 0 HD2 LYS A 63 12.230 -4.187 8.954 1.00 21.14 H new ATOM 0 HD3 LYS A 63 10.998 -4.688 7.814 1.00 21.14 H new ATOM 0 HE2 LYS A 63 11.872 -3.296 6.091 1.00 74.12 H new ATOM 0 HE3 LYS A 63 12.877 -2.401 7.213 1.00 74.12 H new ATOM 0 HZ1 LYS A 63 13.958 -4.200 5.814 1.00 40.41 H new ATOM 0 HZ2 LYS A 63 14.321 -4.178 7.472 1.00 40.41 H new ATOM 0 HZ3 LYS A 63 13.216 -5.312 6.860 1.00 40.41 H new ATOM 865 N LYS A 64 10.058 -6.097 10.943 1.00 40.03 N ATOM 866 CA LYS A 64 10.073 -7.525 10.705 1.00 20.34 C ATOM 867 C LYS A 64 8.697 -7.891 10.164 1.00 12.33 C ATOM 868 O LYS A 64 7.818 -7.027 10.122 1.00 4.43 O ATOM 869 CB LYS A 64 10.403 -8.344 11.973 1.00 13.41 C ATOM 870 CG LYS A 64 11.781 -8.074 12.609 1.00 34.30 C ATOM 871 CD LYS A 64 12.968 -8.369 11.672 1.00 11.21 C ATOM 872 CE LYS A 64 13.069 -9.837 11.268 1.00 4.54 C ATOM 873 NZ LYS A 64 14.262 -10.082 10.415 1.00 72.21 N ATOM 0 H LYS A 64 9.152 -5.767 11.276 1.00 40.03 H new ATOM 0 HA LYS A 64 10.863 -7.769 9.994 1.00 20.34 H new ATOM 0 HB2 LYS A 64 9.634 -8.146 12.720 1.00 13.41 H new ATOM 0 HB3 LYS A 64 10.340 -9.403 11.724 1.00 13.41 H new ATOM 0 HG2 LYS A 64 11.828 -7.031 12.922 1.00 34.30 H new ATOM 0 HG3 LYS A 64 11.881 -8.682 13.508 1.00 34.30 H new ATOM 0 HD2 LYS A 64 12.873 -7.758 10.774 1.00 11.21 H new ATOM 0 HD3 LYS A 64 13.893 -8.071 12.165 1.00 11.21 H new ATOM 0 HE2 LYS A 64 13.124 -10.459 12.161 1.00 4.54 H new ATOM 0 HE3 LYS A 64 12.168 -10.131 10.730 1.00 4.54 H new ATOM 0 HZ1 LYS A 64 14.276 -11.078 10.115 1.00 72.21 H new ATOM 0 HZ2 LYS A 64 14.221 -9.468 9.577 1.00 72.21 H new ATOM 0 HZ3 LYS A 64 15.125 -9.872 10.956 1.00 72.21 H new ATOM 887 N SER A 65 8.515 -9.121 9.715 1.00 0.04 N ATOM 888 CA SER A 65 7.250 -9.558 9.121 1.00 31.43 C ATOM 889 C SER A 65 6.031 -9.304 10.032 1.00 25.14 C ATOM 890 O SER A 65 6.038 -9.658 11.223 1.00 74.15 O ATOM 891 CB SER A 65 7.359 -11.018 8.702 1.00 70.31 C ATOM 892 OG SER A 65 7.863 -11.821 9.762 1.00 70.24 O ATOM 0 H SER A 65 9.232 -9.846 9.749 1.00 0.04 H new ATOM 0 HA SER A 65 7.071 -8.949 8.235 1.00 31.43 H new ATOM 0 HB2 SER A 65 6.379 -11.386 8.398 1.00 70.31 H new ATOM 0 HB3 SER A 65 8.014 -11.102 7.835 1.00 70.31 H new ATOM 0 HG SER A 65 7.921 -12.754 9.467 1.00 70.24 H new ATOM 898 N GLY A 66 5.001 -8.701 9.460 1.00 42.12 N ATOM 899 CA GLY A 66 3.812 -8.359 10.216 1.00 72.23 C ATOM 900 C GLY A 66 3.830 -6.913 10.685 1.00 20.22 C ATOM 901 O GLY A 66 3.007 -6.505 11.508 1.00 52.31 O ATOM 0 H GLY A 66 4.967 -8.439 8.475 1.00 42.12 H new ATOM 0 HA2 GLY A 66 2.929 -8.529 9.599 1.00 72.23 H new ATOM 0 HA3 GLY A 66 3.729 -9.019 11.080 1.00 72.23 H new ATOM 905 N GLU A 67 4.769 -6.151 10.166 1.00 23.21 N ATOM 906 CA GLU A 67 4.901 -4.743 10.481 1.00 53.11 C ATOM 907 C GLU A 67 4.897 -3.924 9.213 1.00 11.24 C ATOM 908 O GLU A 67 4.949 -4.473 8.102 1.00 3.51 O ATOM 909 CB GLU A 67 6.183 -4.460 11.252 1.00 43.51 C ATOM 910 CG GLU A 67 6.260 -5.098 12.615 1.00 65.54 C ATOM 911 CD GLU A 67 7.544 -4.761 13.305 1.00 14.04 C ATOM 912 OE1 GLU A 67 7.681 -3.623 13.803 1.00 63.15 O ATOM 913 OE2 GLU A 67 8.446 -5.608 13.337 1.00 11.21 O ATOM 0 H GLU A 67 5.469 -6.494 9.508 1.00 23.21 H new ATOM 0 HA GLU A 67 4.052 -4.467 11.106 1.00 53.11 H new ATOM 0 HB2 GLU A 67 7.030 -4.804 10.658 1.00 43.51 H new ATOM 0 HB3 GLU A 67 6.290 -3.381 11.366 1.00 43.51 H new ATOM 0 HG2 GLU A 67 5.420 -4.763 13.223 1.00 65.54 H new ATOM 0 HG3 GLU A 67 6.171 -6.180 12.517 1.00 65.54 H new ATOM 920 N VAL A 68 4.841 -2.623 9.367 1.00 51.44 N ATOM 921 CA VAL A 68 4.837 -1.739 8.237 1.00 73.30 C ATOM 922 C VAL A 68 5.936 -0.680 8.388 1.00 54.31 C ATOM 923 O VAL A 68 6.221 -0.198 9.501 1.00 43.11 O ATOM 924 CB VAL A 68 3.448 -1.039 8.057 1.00 2.25 C ATOM 925 CG1 VAL A 68 3.127 -0.096 9.210 1.00 1.32 C ATOM 926 CG2 VAL A 68 3.362 -0.311 6.735 1.00 11.42 C ATOM 0 H VAL A 68 4.797 -2.155 10.272 1.00 51.44 H new ATOM 0 HA VAL A 68 5.030 -2.340 7.348 1.00 73.30 H new ATOM 0 HB VAL A 68 2.698 -1.830 8.060 1.00 2.25 H new ATOM 0 HG11 VAL A 68 2.154 0.367 9.042 1.00 1.32 H new ATOM 0 HG12 VAL A 68 3.105 -0.658 10.144 1.00 1.32 H new ATOM 0 HG13 VAL A 68 3.892 0.679 9.270 1.00 1.32 H new ATOM 0 HG21 VAL A 68 2.385 0.163 6.644 1.00 11.42 H new ATOM 0 HG22 VAL A 68 4.141 0.450 6.688 1.00 11.42 H new ATOM 0 HG23 VAL A 68 3.499 -1.021 5.919 1.00 11.42 H new ATOM 932 N ALA A 69 6.574 -0.368 7.310 1.00 71.14 N ATOM 933 CA ALA A 69 7.529 0.704 7.277 1.00 33.05 C ATOM 934 C ALA A 69 6.958 1.789 6.387 1.00 73.24 C ATOM 935 O ALA A 69 6.356 1.481 5.355 1.00 53.32 O ATOM 936 CB ALA A 69 8.858 0.209 6.759 1.00 51.04 C ATOM 0 H ALA A 69 6.451 -0.848 6.419 1.00 71.14 H new ATOM 0 HA ALA A 69 7.707 1.099 8.277 1.00 33.05 H new ATOM 0 HB1 ALA A 69 9.571 1.033 6.740 1.00 51.04 H new ATOM 0 HB2 ALA A 69 9.232 -0.579 7.412 1.00 51.04 H new ATOM 0 HB3 ALA A 69 8.732 -0.185 5.750 1.00 51.04 H new ATOM 942 N VAL A 70 7.108 3.038 6.772 1.00 55.13 N ATOM 943 CA VAL A 70 6.482 4.113 6.028 1.00 51.05 C ATOM 944 C VAL A 70 7.503 5.190 5.703 1.00 54.15 C ATOM 945 O VAL A 70 8.455 5.402 6.453 1.00 52.44 O ATOM 946 CB VAL A 70 5.322 4.777 6.830 1.00 50.45 C ATOM 947 CG1 VAL A 70 4.493 5.694 5.955 1.00 62.34 C ATOM 948 CG2 VAL A 70 4.456 3.760 7.559 1.00 60.50 C ATOM 0 H VAL A 70 7.650 3.333 7.584 1.00 55.13 H new ATOM 0 HA VAL A 70 6.079 3.672 5.116 1.00 51.05 H new ATOM 0 HB VAL A 70 5.789 5.391 7.600 1.00 50.45 H new ATOM 0 HG11 VAL A 70 3.694 6.139 6.548 1.00 62.34 H new ATOM 0 HG12 VAL A 70 5.127 6.483 5.551 1.00 62.34 H new ATOM 0 HG13 VAL A 70 4.060 5.121 5.135 1.00 62.34 H new ATOM 0 HG21 VAL A 70 3.664 4.278 8.101 1.00 60.50 H new ATOM 0 HG22 VAL A 70 4.013 3.075 6.836 1.00 60.50 H new ATOM 0 HG23 VAL A 70 5.070 3.198 8.263 1.00 60.50 H new ATOM 954 N LEU A 71 7.310 5.850 4.601 1.00 51.34 N ATOM 955 CA LEU A 71 8.161 6.947 4.206 1.00 60.21 C ATOM 956 C LEU A 71 7.298 8.154 3.987 1.00 11.51 C ATOM 957 O LEU A 71 6.204 8.022 3.438 1.00 11.41 O ATOM 958 CB LEU A 71 8.788 6.664 2.845 1.00 75.25 C ATOM 959 CG LEU A 71 9.505 5.352 2.644 1.00 55.44 C ATOM 960 CD1 LEU A 71 9.982 5.271 1.212 1.00 33.53 C ATOM 961 CD2 LEU A 71 10.669 5.215 3.599 1.00 64.43 C ATOM 0 H LEU A 71 6.557 5.647 3.944 1.00 51.34 H new ATOM 0 HA LEU A 71 8.920 7.089 4.976 1.00 60.21 H new ATOM 0 HB2 LEU A 71 7.999 6.729 2.096 1.00 75.25 H new ATOM 0 HB3 LEU A 71 9.496 7.465 2.633 1.00 75.25 H new ATOM 0 HG LEU A 71 8.816 4.533 2.850 1.00 55.44 H new ATOM 0 HD11 LEU A 71 10.502 4.326 1.055 1.00 33.53 H new ATOM 0 HD12 LEU A 71 9.126 5.330 0.540 1.00 33.53 H new ATOM 0 HD13 LEU A 71 10.662 6.098 1.008 1.00 33.53 H new ATOM 0 HD21 LEU A 71 11.167 4.260 3.431 1.00 64.43 H new ATOM 0 HD22 LEU A 71 11.376 6.027 3.430 1.00 64.43 H new ATOM 0 HD23 LEU A 71 10.305 5.259 4.625 1.00 64.43 H new ATOM 969 N LYS A 72 7.741 9.312 4.413 1.00 64.23 N ATOM 970 CA LYS A 72 7.071 10.503 3.986 1.00 32.35 C ATOM 971 C LYS A 72 7.866 10.975 2.822 1.00 14.24 C ATOM 972 O LYS A 72 9.015 11.405 2.977 1.00 43.20 O ATOM 973 CB LYS A 72 7.089 11.567 5.070 1.00 3.15 C ATOM 974 CG LYS A 72 6.390 12.878 4.693 1.00 31.35 C ATOM 975 CD LYS A 72 6.510 13.905 5.813 1.00 33.14 C ATOM 976 CE LYS A 72 5.856 15.236 5.448 1.00 31.11 C ATOM 977 NZ LYS A 72 4.395 15.115 5.228 1.00 11.31 N ATOM 0 H LYS A 72 8.538 9.449 5.035 1.00 64.23 H new ATOM 0 HA LYS A 72 6.024 10.311 3.750 1.00 32.35 H new ATOM 0 HB2 LYS A 72 6.615 11.163 5.965 1.00 3.15 H new ATOM 0 HB3 LYS A 72 8.125 11.785 5.329 1.00 3.15 H new ATOM 0 HG2 LYS A 72 6.829 13.278 3.779 1.00 31.35 H new ATOM 0 HG3 LYS A 72 5.338 12.686 4.483 1.00 31.35 H new ATOM 0 HD2 LYS A 72 6.046 13.510 6.717 1.00 33.14 H new ATOM 0 HD3 LYS A 72 7.563 14.070 6.041 1.00 33.14 H new ATOM 0 HE2 LYS A 72 6.041 15.957 6.244 1.00 31.11 H new ATOM 0 HE3 LYS A 72 6.324 15.630 4.546 1.00 31.11 H new ATOM 0 HZ1 LYS A 72 3.984 16.062 5.101 1.00 11.31 H new ATOM 0 HZ2 LYS A 72 4.218 14.543 4.377 1.00 11.31 H new ATOM 0 HZ3 LYS A 72 3.957 14.655 6.051 1.00 11.31 H new ATOM 991 N ARG A 73 7.318 10.863 1.681 1.00 24.52 N ATOM 992 CA ARG A 73 8.048 11.199 0.500 1.00 72.12 C ATOM 993 C ARG A 73 7.162 11.891 -0.505 1.00 71.11 C ATOM 994 O ARG A 73 6.046 11.433 -0.757 1.00 51.20 O ATOM 995 CB ARG A 73 8.660 9.935 -0.118 1.00 54.22 C ATOM 996 CG ARG A 73 9.676 10.205 -1.213 1.00 34.45 C ATOM 997 CD ARG A 73 10.911 10.892 -0.649 1.00 35.33 C ATOM 998 NE ARG A 73 11.893 11.187 -1.681 1.00 3.01 N ATOM 999 CZ ARG A 73 13.219 11.143 -1.517 1.00 1.31 C ATOM 1000 NH1 ARG A 73 13.747 10.734 -0.368 1.00 24.52 N ATOM 1001 NH2 ARG A 73 14.011 11.489 -2.516 1.00 75.51 N ATOM 0 H ARG A 73 6.363 10.541 1.524 1.00 24.52 H new ATOM 0 HA ARG A 73 8.848 11.885 0.777 1.00 72.12 H new ATOM 0 HB2 ARG A 73 9.139 9.354 0.670 1.00 54.22 H new ATOM 0 HB3 ARG A 73 7.858 9.319 -0.526 1.00 54.22 H new ATOM 0 HG2 ARG A 73 9.962 9.267 -1.689 1.00 34.45 H new ATOM 0 HG3 ARG A 73 9.227 10.830 -1.985 1.00 34.45 H new ATOM 0 HD2 ARG A 73 10.616 11.818 -0.155 1.00 35.33 H new ATOM 0 HD3 ARG A 73 11.364 10.255 0.111 1.00 35.33 H new ATOM 0 HE ARG A 73 11.542 11.448 -2.602 1.00 3.01 H new ATOM 0 HH11 ARG A 73 13.139 10.450 0.400 1.00 24.52 H new ATOM 0 HH12 ARG A 73 14.760 10.705 -0.254 1.00 24.52 H new ATOM 0 HH21 ARG A 73 13.610 11.787 -3.405 1.00 75.51 H new ATOM 0 HH22 ARG A 73 15.024 11.458 -2.398 1.00 75.51 H new ATOM 1013 N ASP A 74 7.638 12.998 -1.052 1.00 71.50 N ATOM 1014 CA ASP A 74 6.969 13.693 -2.169 1.00 30.33 C ATOM 1015 C ASP A 74 5.563 14.181 -1.733 1.00 75.34 C ATOM 1016 O ASP A 74 4.649 14.344 -2.536 1.00 11.21 O ATOM 1017 CB ASP A 74 6.916 12.710 -3.385 1.00 5.34 C ATOM 1018 CG ASP A 74 6.419 13.302 -4.689 1.00 2.02 C ATOM 1019 OD1 ASP A 74 7.160 14.073 -5.325 1.00 32.10 O ATOM 1020 OD2 ASP A 74 5.308 12.973 -5.116 1.00 60.00 O ATOM 0 H ASP A 74 8.499 13.450 -0.743 1.00 71.50 H new ATOM 0 HA ASP A 74 7.522 14.584 -2.465 1.00 30.33 H new ATOM 0 HB2 ASP A 74 7.916 12.309 -3.548 1.00 5.34 H new ATOM 0 HB3 ASP A 74 6.274 11.869 -3.121 1.00 5.34 H new ATOM 1025 N GLY A 75 5.439 14.470 -0.444 1.00 4.23 N ATOM 1026 CA GLY A 75 4.202 15.000 0.098 1.00 31.23 C ATOM 1027 C GLY A 75 3.203 13.937 0.514 1.00 21.11 C ATOM 1028 O GLY A 75 2.109 14.254 0.993 1.00 2.11 O ATOM 0 H GLY A 75 6.182 14.345 0.243 1.00 4.23 H new ATOM 0 HA2 GLY A 75 4.434 15.623 0.962 1.00 31.23 H new ATOM 0 HA3 GLY A 75 3.739 15.647 -0.647 1.00 31.23 H new ATOM 1032 N ARG A 76 3.568 12.699 0.348 1.00 61.42 N ATOM 1033 CA ARG A 76 2.686 11.587 0.636 1.00 2.34 C ATOM 1034 C ARG A 76 3.413 10.465 1.349 1.00 12.41 C ATOM 1035 O ARG A 76 4.628 10.508 1.516 1.00 13.44 O ATOM 1036 CB ARG A 76 2.028 11.131 -0.664 1.00 32.21 C ATOM 1037 CG ARG A 76 2.993 11.125 -1.836 1.00 65.41 C ATOM 1038 CD ARG A 76 2.299 10.822 -3.128 1.00 64.23 C ATOM 1039 NE ARG A 76 3.152 11.148 -4.274 1.00 13.40 N ATOM 1040 CZ ARG A 76 2.813 10.994 -5.547 1.00 13.24 C ATOM 1041 NH1 ARG A 76 1.636 10.485 -5.866 1.00 43.11 N ATOM 1042 NH2 ARG A 76 3.639 11.397 -6.489 1.00 14.02 N ATOM 0 H ARG A 76 4.489 12.423 0.008 1.00 61.42 H new ATOM 0 HA ARG A 76 1.905 11.909 1.324 1.00 2.34 H new ATOM 0 HB2 ARG A 76 1.620 10.129 -0.529 1.00 32.21 H new ATOM 0 HB3 ARG A 76 1.189 11.788 -0.892 1.00 32.21 H new ATOM 0 HG2 ARG A 76 3.485 12.095 -1.907 1.00 65.41 H new ATOM 0 HG3 ARG A 76 3.773 10.384 -1.660 1.00 65.41 H new ATOM 0 HD2 ARG A 76 2.029 9.767 -3.160 1.00 64.23 H new ATOM 0 HD3 ARG A 76 1.371 11.391 -3.188 1.00 64.23 H new ATOM 0 HE ARG A 76 4.080 11.523 -4.077 1.00 13.40 H new ATOM 0 HH11 ARG A 76 0.984 10.209 -5.132 1.00 43.11 H new ATOM 0 HH12 ARG A 76 1.380 10.368 -6.846 1.00 43.11 H new ATOM 0 HH21 ARG A 76 4.531 11.823 -6.237 1.00 14.02 H new ATOM 0 HH22 ARG A 76 3.387 11.283 -7.471 1.00 14.02 H new ATOM 1054 N TYR A 77 2.675 9.485 1.792 1.00 41.42 N ATOM 1055 CA TYR A 77 3.250 8.387 2.513 1.00 13.02 C ATOM 1056 C TYR A 77 3.373 7.137 1.685 1.00 50.02 C ATOM 1057 O TYR A 77 2.571 6.884 0.784 1.00 44.32 O ATOM 1058 CB TYR A 77 2.526 8.136 3.832 1.00 13.34 C ATOM 1059 CG TYR A 77 2.847 9.178 4.872 1.00 2.35 C ATOM 1060 CD1 TYR A 77 4.029 9.100 5.565 1.00 31.51 C ATOM 1061 CD2 TYR A 77 1.996 10.235 5.152 1.00 11.34 C ATOM 1062 CE1 TYR A 77 4.373 10.018 6.501 1.00 1.43 C ATOM 1063 CE2 TYR A 77 2.337 11.181 6.104 1.00 5.04 C ATOM 1064 CZ TYR A 77 3.534 11.062 6.773 1.00 72.35 C ATOM 1065 OH TYR A 77 3.894 11.996 7.727 1.00 53.11 O ATOM 0 H TYR A 77 1.665 9.426 1.664 1.00 41.42 H new ATOM 0 HA TYR A 77 4.271 8.682 2.755 1.00 13.02 H new ATOM 0 HB2 TYR A 77 1.450 8.122 3.656 1.00 13.34 H new ATOM 0 HB3 TYR A 77 2.800 7.152 4.212 1.00 13.34 H new ATOM 0 HD1 TYR A 77 4.705 8.283 5.359 1.00 31.51 H new ATOM 0 HD2 TYR A 77 1.058 10.322 4.623 1.00 11.34 H new ATOM 0 HE1 TYR A 77 5.309 9.925 7.031 1.00 1.43 H new ATOM 0 HE2 TYR A 77 1.671 12.003 6.319 1.00 5.04 H new ATOM 0 HH TYR A 77 3.191 12.675 7.802 1.00 53.11 H new ATOM 1075 N ILE A 78 4.390 6.366 1.980 1.00 34.55 N ATOM 1076 CA ILE A 78 4.659 5.142 1.260 1.00 73.43 C ATOM 1077 C ILE A 78 4.695 4.015 2.257 1.00 42.42 C ATOM 1078 O ILE A 78 5.509 4.032 3.174 1.00 65.30 O ATOM 1079 CB ILE A 78 6.031 5.197 0.517 1.00 60.50 C ATOM 1080 CG1 ILE A 78 6.131 6.444 -0.385 1.00 53.33 C ATOM 1081 CG2 ILE A 78 6.246 3.926 -0.310 1.00 22.44 C ATOM 1082 CD1 ILE A 78 5.071 6.523 -1.466 1.00 33.04 C ATOM 0 H ILE A 78 5.056 6.568 2.726 1.00 34.55 H new ATOM 0 HA ILE A 78 3.878 4.997 0.514 1.00 73.43 H new ATOM 0 HB ILE A 78 6.815 5.263 1.272 1.00 60.50 H new ATOM 0 HG12 ILE A 78 6.063 7.335 0.239 1.00 53.33 H new ATOM 0 HG13 ILE A 78 7.114 6.459 -0.856 1.00 53.33 H new ATOM 0 HG21 ILE A 78 7.207 3.982 -0.821 1.00 22.44 H new ATOM 0 HG22 ILE A 78 6.235 3.057 0.348 1.00 22.44 H new ATOM 0 HG23 ILE A 78 5.449 3.832 -1.047 1.00 22.44 H new ATOM 0 HD11 ILE A 78 5.216 7.430 -2.052 1.00 33.04 H new ATOM 0 HD12 ILE A 78 5.150 5.653 -2.118 1.00 33.04 H new ATOM 0 HD13 ILE A 78 4.083 6.543 -1.006 1.00 33.04 H new ATOM 1089 N TYR A 79 3.819 3.071 2.100 1.00 2.14 N ATOM 1090 CA TYR A 79 3.722 1.966 3.015 1.00 33.24 C ATOM 1091 C TYR A 79 4.365 0.716 2.456 1.00 43.11 C ATOM 1092 O TYR A 79 4.119 0.320 1.301 1.00 52.20 O ATOM 1093 CB TYR A 79 2.263 1.689 3.377 1.00 2.15 C ATOM 1094 CG TYR A 79 1.581 2.837 4.076 1.00 44.43 C ATOM 1095 CD1 TYR A 79 1.664 2.965 5.442 1.00 43.13 C ATOM 1096 CD2 TYR A 79 0.861 3.793 3.368 1.00 31.14 C ATOM 1097 CE1 TYR A 79 1.055 4.001 6.098 1.00 4.10 C ATOM 1098 CE2 TYR A 79 0.245 4.842 4.020 1.00 63.00 C ATOM 1099 CZ TYR A 79 0.348 4.937 5.391 1.00 35.41 C ATOM 1100 OH TYR A 79 -0.256 5.980 6.066 1.00 32.43 O ATOM 0 H TYR A 79 3.147 3.041 1.333 1.00 2.14 H new ATOM 0 HA TYR A 79 4.264 2.247 3.918 1.00 33.24 H new ATOM 0 HB2 TYR A 79 1.712 1.451 2.467 1.00 2.15 H new ATOM 0 HB3 TYR A 79 2.218 0.808 4.017 1.00 2.15 H new ATOM 0 HD1 TYR A 79 2.221 2.234 6.009 1.00 43.13 H new ATOM 0 HD2 TYR A 79 0.783 3.714 2.294 1.00 31.14 H new ATOM 0 HE1 TYR A 79 1.132 4.080 7.172 1.00 4.10 H new ATOM 0 HE2 TYR A 79 -0.312 5.580 3.462 1.00 63.00 H new ATOM 0 HH TYR A 79 -1.223 5.825 6.110 1.00 32.43 H new ATOM 1110 N TYR A 80 5.206 0.128 3.252 1.00 23.11 N ATOM 1111 CA TYR A 80 5.841 -1.123 2.946 1.00 2.43 C ATOM 1112 C TYR A 80 5.380 -2.169 3.924 1.00 52.32 C ATOM 1113 O TYR A 80 5.755 -2.130 5.101 1.00 72.23 O ATOM 1114 CB TYR A 80 7.363 -1.012 3.023 1.00 71.33 C ATOM 1115 CG TYR A 80 7.999 -0.130 1.981 1.00 11.13 C ATOM 1116 CD1 TYR A 80 8.378 -0.654 0.766 1.00 74.34 C ATOM 1117 CD2 TYR A 80 8.243 1.210 2.217 1.00 41.42 C ATOM 1118 CE1 TYR A 80 8.984 0.118 -0.193 1.00 31.03 C ATOM 1119 CE2 TYR A 80 8.846 1.997 1.259 1.00 33.10 C ATOM 1120 CZ TYR A 80 9.218 1.445 0.053 1.00 32.01 C ATOM 1121 OH TYR A 80 9.832 2.226 -0.906 1.00 12.44 O ATOM 0 H TYR A 80 5.478 0.513 4.156 1.00 23.11 H new ATOM 0 HA TYR A 80 5.565 -1.400 1.928 1.00 2.43 H new ATOM 0 HB2 TYR A 80 7.634 -0.634 4.009 1.00 71.33 H new ATOM 0 HB3 TYR A 80 7.788 -2.012 2.937 1.00 71.33 H new ATOM 0 HD1 TYR A 80 8.194 -1.699 0.562 1.00 74.34 H new ATOM 0 HD2 TYR A 80 7.958 1.646 3.163 1.00 41.42 H new ATOM 0 HE1 TYR A 80 9.275 -0.318 -1.137 1.00 31.03 H new ATOM 0 HE2 TYR A 80 9.026 3.044 1.454 1.00 33.10 H new ATOM 0 HH TYR A 80 9.714 3.173 -0.681 1.00 12.44 H new ATOM 1131 N LEU A 81 4.552 -3.063 3.460 1.00 11.42 N ATOM 1132 CA LEU A 81 4.075 -4.151 4.275 1.00 71.34 C ATOM 1133 C LEU A 81 5.128 -5.247 4.263 1.00 45.42 C ATOM 1134 O LEU A 81 5.526 -5.726 3.182 1.00 50.42 O ATOM 1135 CB LEU A 81 2.740 -4.686 3.728 1.00 5.44 C ATOM 1136 CG LEU A 81 1.596 -3.665 3.577 1.00 74.02 C ATOM 1137 CD1 LEU A 81 0.364 -4.336 3.009 1.00 3.42 C ATOM 1138 CD2 LEU A 81 1.262 -3.003 4.903 1.00 13.24 C ATOM 0 H LEU A 81 4.188 -3.060 2.507 1.00 11.42 H new ATOM 0 HA LEU A 81 3.903 -3.807 5.295 1.00 71.34 H new ATOM 0 HB2 LEU A 81 2.927 -5.134 2.752 1.00 5.44 H new ATOM 0 HB3 LEU A 81 2.398 -5.485 4.386 1.00 5.44 H new ATOM 0 HG LEU A 81 1.933 -2.890 2.888 1.00 74.02 H new ATOM 0 HD11 LEU A 81 -0.436 -3.602 2.908 1.00 3.42 H new ATOM 0 HD12 LEU A 81 0.597 -4.756 2.031 1.00 3.42 H new ATOM 0 HD13 LEU A 81 0.042 -5.133 3.679 1.00 3.42 H new ATOM 0 HD21 LEU A 81 0.451 -2.289 4.759 1.00 13.24 H new ATOM 0 HD22 LEU A 81 0.954 -3.763 5.621 1.00 13.24 H new ATOM 0 HD23 LEU A 81 2.141 -2.482 5.281 1.00 13.24 H new ATOM 1146 N ILE A 82 5.599 -5.624 5.429 1.00 74.13 N ATOM 1147 CA ILE A 82 6.637 -6.620 5.535 1.00 31.32 C ATOM 1148 C ILE A 82 5.995 -8.009 5.589 1.00 21.31 C ATOM 1149 O ILE A 82 5.395 -8.395 6.605 1.00 14.35 O ATOM 1150 CB ILE A 82 7.502 -6.414 6.800 1.00 23.24 C ATOM 1151 CG1 ILE A 82 7.999 -4.949 6.918 1.00 51.45 C ATOM 1152 CG2 ILE A 82 8.699 -7.358 6.748 1.00 23.31 C ATOM 1153 CD1 ILE A 82 8.985 -4.505 5.849 1.00 65.44 C ATOM 0 H ILE A 82 5.276 -5.252 6.322 1.00 74.13 H new ATOM 0 HA ILE A 82 7.285 -6.527 4.663 1.00 31.32 H new ATOM 0 HB ILE A 82 6.888 -6.630 7.674 1.00 23.24 H new ATOM 0 HG12 ILE A 82 7.134 -4.287 6.888 1.00 51.45 H new ATOM 0 HG13 ILE A 82 8.466 -4.819 7.895 1.00 51.45 H new ATOM 0 HG21 ILE A 82 9.313 -7.217 7.638 1.00 23.31 H new ATOM 0 HG22 ILE A 82 8.348 -8.389 6.709 1.00 23.31 H new ATOM 0 HG23 ILE A 82 9.293 -7.143 5.860 1.00 23.31 H new ATOM 0 HD11 ILE A 82 9.268 -3.467 6.024 1.00 65.44 H new ATOM 0 HD12 ILE A 82 9.873 -5.135 5.889 1.00 65.44 H new ATOM 0 HD13 ILE A 82 8.521 -4.594 4.867 1.00 65.44 H new ATOM 1160 N THR A 83 6.123 -8.731 4.510 1.00 60.11 N ATOM 1161 CA THR A 83 5.499 -10.027 4.342 1.00 13.23 C ATOM 1162 C THR A 83 6.192 -11.161 5.122 1.00 42.23 C ATOM 1163 O THR A 83 5.654 -11.677 6.107 1.00 21.02 O ATOM 1164 CB THR A 83 5.430 -10.355 2.852 1.00 51.33 C ATOM 1165 OG1 THR A 83 6.726 -10.125 2.255 1.00 32.11 O ATOM 1166 CG2 THR A 83 4.369 -9.500 2.178 1.00 73.40 C ATOM 0 H THR A 83 6.673 -8.435 3.704 1.00 60.11 H new ATOM 0 HA THR A 83 4.497 -9.960 4.766 1.00 13.23 H new ATOM 0 HB THR A 83 5.157 -11.402 2.719 1.00 51.33 H new ATOM 0 HG1 THR A 83 6.767 -9.211 1.904 1.00 32.11 H new ATOM 0 HG21 THR A 83 4.328 -9.742 1.116 1.00 73.40 H new ATOM 0 HG22 THR A 83 3.399 -9.698 2.633 1.00 73.40 H new ATOM 0 HG23 THR A 83 4.619 -8.446 2.301 1.00 73.40 H new ATOM 1172 N LYS A 84 7.358 -11.544 4.671 1.00 22.24 N ATOM 1173 CA LYS A 84 8.155 -12.584 5.295 1.00 43.13 C ATOM 1174 C LYS A 84 9.591 -12.183 5.337 1.00 4.22 C ATOM 1175 O LYS A 84 9.977 -11.208 4.698 1.00 75.33 O ATOM 1176 CB LYS A 84 8.012 -13.928 4.572 1.00 21.41 C ATOM 1177 CG LYS A 84 6.744 -14.702 4.885 1.00 31.31 C ATOM 1178 CD LYS A 84 6.749 -15.183 6.335 1.00 23.11 C ATOM 1179 CE LYS A 84 5.563 -16.089 6.636 1.00 42.12 C ATOM 1180 NZ LYS A 84 5.633 -16.653 8.006 1.00 44.11 N ATOM 0 H LYS A 84 7.794 -11.138 3.844 1.00 22.24 H new ATOM 0 HA LYS A 84 7.782 -12.710 6.311 1.00 43.13 H new ATOM 0 HB2 LYS A 84 8.053 -13.750 3.497 1.00 21.41 H new ATOM 0 HB3 LYS A 84 8.870 -14.551 4.825 1.00 21.41 H new ATOM 0 HG2 LYS A 84 5.874 -14.070 4.709 1.00 31.31 H new ATOM 0 HG3 LYS A 84 6.658 -15.556 4.214 1.00 31.31 H new ATOM 0 HD2 LYS A 84 7.676 -15.720 6.536 1.00 23.11 H new ATOM 0 HD3 LYS A 84 6.727 -14.322 7.003 1.00 23.11 H new ATOM 0 HE2 LYS A 84 4.637 -15.525 6.522 1.00 42.12 H new ATOM 0 HE3 LYS A 84 5.533 -16.901 5.910 1.00 42.12 H new ATOM 0 HZ1 LYS A 84 4.808 -17.264 8.172 1.00 44.11 H new ATOM 0 HZ2 LYS A 84 6.504 -17.212 8.107 1.00 44.11 H new ATOM 0 HZ3 LYS A 84 5.636 -15.879 8.700 1.00 44.11 H new ATOM 1194 N LYS A 85 10.379 -12.964 6.066 1.00 24.55 N ATOM 1195 CA LYS A 85 11.799 -12.725 6.268 1.00 43.13 C ATOM 1196 C LYS A 85 12.545 -12.625 4.949 1.00 23.12 C ATOM 1197 O LYS A 85 13.430 -11.780 4.796 1.00 53.43 O ATOM 1198 CB LYS A 85 12.380 -13.843 7.134 1.00 31.11 C ATOM 1199 CG LYS A 85 13.860 -13.705 7.460 1.00 35.11 C ATOM 1200 CD LYS A 85 14.335 -14.820 8.391 1.00 22.54 C ATOM 1201 CE LYS A 85 13.616 -14.762 9.734 1.00 44.31 C ATOM 1202 NZ LYS A 85 14.082 -15.793 10.676 1.00 43.34 N ATOM 0 H LYS A 85 10.039 -13.799 6.543 1.00 24.55 H new ATOM 0 HA LYS A 85 11.920 -11.768 6.776 1.00 43.13 H new ATOM 0 HB2 LYS A 85 11.821 -13.885 8.069 1.00 31.11 H new ATOM 0 HB3 LYS A 85 12.223 -14.794 6.625 1.00 31.11 H new ATOM 0 HG2 LYS A 85 14.440 -13.728 6.538 1.00 35.11 H new ATOM 0 HG3 LYS A 85 14.042 -12.737 7.927 1.00 35.11 H new ATOM 0 HD2 LYS A 85 14.158 -15.788 7.923 1.00 22.54 H new ATOM 0 HD3 LYS A 85 15.410 -14.733 8.547 1.00 22.54 H new ATOM 0 HE2 LYS A 85 13.764 -13.777 10.178 1.00 44.31 H new ATOM 0 HE3 LYS A 85 12.545 -14.881 9.573 1.00 44.31 H new ATOM 0 HZ1 LYS A 85 13.560 -15.707 11.571 1.00 43.34 H new ATOM 0 HZ2 LYS A 85 13.917 -16.736 10.268 1.00 43.34 H new ATOM 0 HZ3 LYS A 85 15.099 -15.666 10.855 1.00 43.34 H new ATOM 1216 N ARG A 86 12.182 -13.472 3.997 1.00 74.33 N ATOM 1217 CA ARG A 86 12.803 -13.445 2.697 1.00 11.03 C ATOM 1218 C ARG A 86 11.796 -13.702 1.602 1.00 20.45 C ATOM 1219 O ARG A 86 10.781 -14.355 1.830 1.00 3.53 O ATOM 1220 CB ARG A 86 13.973 -14.419 2.575 1.00 2.21 C ATOM 1221 CG ARG A 86 15.108 -14.153 3.536 1.00 13.14 C ATOM 1222 CD ARG A 86 16.345 -14.921 3.164 1.00 1.22 C ATOM 1223 NE ARG A 86 17.426 -14.659 4.100 1.00 53.31 N ATOM 1224 CZ ARG A 86 18.525 -13.950 3.829 1.00 40.22 C ATOM 1225 NH1 ARG A 86 18.654 -13.323 2.659 1.00 72.21 N ATOM 1226 NH2 ARG A 86 19.476 -13.840 4.746 1.00 64.40 N ATOM 0 H ARG A 86 11.460 -14.184 4.108 1.00 74.33 H new ATOM 0 HA ARG A 86 13.207 -12.439 2.579 1.00 11.03 H new ATOM 0 HB2 ARG A 86 13.605 -15.432 2.737 1.00 2.21 H new ATOM 0 HB3 ARG A 86 14.359 -14.379 1.556 1.00 2.21 H new ATOM 0 HG2 ARG A 86 15.332 -13.086 3.548 1.00 13.14 H new ATOM 0 HG3 ARG A 86 14.801 -14.425 4.546 1.00 13.14 H new ATOM 0 HD2 ARG A 86 16.123 -15.988 3.149 1.00 1.22 H new ATOM 0 HD3 ARG A 86 16.658 -14.647 2.157 1.00 1.22 H new ATOM 0 HE ARG A 86 17.338 -15.048 5.039 1.00 53.31 H new ATOM 0 HH11 ARG A 86 17.910 -13.383 1.964 1.00 72.21 H new ATOM 0 HH12 ARG A 86 19.496 -12.784 2.460 1.00 72.21 H new ATOM 0 HH21 ARG A 86 19.366 -14.295 5.652 1.00 64.40 H new ATOM 0 HH22 ARG A 86 20.318 -13.300 4.545 1.00 64.40 H new ATOM 1238 N ALA A 87 12.100 -13.188 0.424 1.00 22.21 N ATOM 1239 CA ALA A 87 11.251 -13.290 -0.779 1.00 70.21 C ATOM 1240 C ALA A 87 11.025 -14.736 -1.247 1.00 41.32 C ATOM 1241 O ALA A 87 10.087 -15.013 -1.975 1.00 61.22 O ATOM 1242 CB ALA A 87 11.845 -12.457 -1.905 1.00 0.02 C ATOM 0 H ALA A 87 12.964 -12.672 0.259 1.00 22.21 H new ATOM 0 HA ALA A 87 10.270 -12.901 -0.504 1.00 70.21 H new ATOM 0 HB1 ALA A 87 11.213 -12.537 -2.789 1.00 0.02 H new ATOM 0 HB2 ALA A 87 11.903 -11.414 -1.594 1.00 0.02 H new ATOM 0 HB3 ALA A 87 12.845 -12.822 -2.139 1.00 0.02 H new ATOM 1248 N SER A 88 11.889 -15.646 -0.840 1.00 65.43 N ATOM 1249 CA SER A 88 11.746 -17.049 -1.217 1.00 35.42 C ATOM 1250 C SER A 88 10.843 -17.783 -0.190 1.00 24.23 C ATOM 1251 O SER A 88 10.717 -19.007 -0.200 1.00 51.11 O ATOM 1252 CB SER A 88 13.143 -17.706 -1.307 1.00 41.52 C ATOM 1253 OG SER A 88 13.086 -19.038 -1.796 1.00 23.23 O ATOM 0 H SER A 88 12.697 -15.445 -0.250 1.00 65.43 H new ATOM 0 HA SER A 88 11.270 -17.121 -2.195 1.00 35.42 H new ATOM 0 HB2 SER A 88 13.780 -17.110 -1.960 1.00 41.52 H new ATOM 0 HB3 SER A 88 13.606 -17.704 -0.320 1.00 41.52 H new ATOM 0 HG SER A 88 12.326 -19.504 -1.389 1.00 23.23 H new ATOM 1259 N HIS A 89 10.218 -17.021 0.679 1.00 43.44 N ATOM 1260 CA HIS A 89 9.338 -17.567 1.696 1.00 64.33 C ATOM 1261 C HIS A 89 7.915 -17.220 1.326 1.00 35.41 C ATOM 1262 O HIS A 89 7.677 -16.186 0.708 1.00 44.32 O ATOM 1263 CB HIS A 89 9.658 -16.972 3.085 1.00 22.33 C ATOM 1264 CG HIS A 89 11.033 -17.273 3.642 1.00 23.45 C ATOM 1265 ND1 HIS A 89 11.307 -17.287 4.992 1.00 54.03 N ATOM 1266 CD2 HIS A 89 12.225 -17.485 3.029 1.00 24.04 C ATOM 1267 CE1 HIS A 89 12.596 -17.483 5.181 1.00 42.01 C ATOM 1268 NE2 HIS A 89 13.171 -17.607 4.009 1.00 34.53 N ATOM 0 H HIS A 89 10.303 -16.005 0.703 1.00 43.44 H new ATOM 0 HA HIS A 89 9.478 -18.647 1.746 1.00 64.33 H new ATOM 0 HB2 HIS A 89 9.541 -15.890 3.029 1.00 22.33 H new ATOM 0 HB3 HIS A 89 8.914 -17.337 3.793 1.00 22.33 H new ATOM 0 HD2 HIS A 89 12.395 -17.546 1.964 1.00 24.04 H new ATOM 0 HE1 HIS A 89 13.094 -17.533 6.138 1.00 42.01 H new ATOM 0 HE2 HIS A 89 14.166 -17.769 3.853 1.00 34.53 H new ATOM 1277 N LYS A 90 6.982 -18.057 1.695 1.00 41.33 N ATOM 1278 CA LYS A 90 5.593 -17.809 1.381 1.00 70.24 C ATOM 1279 C LYS A 90 4.915 -17.047 2.527 1.00 53.21 C ATOM 1280 O LYS A 90 4.922 -17.499 3.681 1.00 0.35 O ATOM 1281 CB LYS A 90 4.843 -19.122 1.062 1.00 3.35 C ATOM 1282 CG LYS A 90 4.884 -20.165 2.177 1.00 34.24 C ATOM 1283 CD LYS A 90 4.043 -21.397 1.852 1.00 12.43 C ATOM 1284 CE LYS A 90 4.528 -22.110 0.603 1.00 31.24 C ATOM 1285 NZ LYS A 90 3.727 -23.319 0.321 1.00 34.25 N ATOM 0 H LYS A 90 7.155 -18.918 2.214 1.00 41.33 H new ATOM 0 HA LYS A 90 5.553 -17.189 0.485 1.00 70.24 H new ATOM 0 HB2 LYS A 90 3.802 -18.886 0.841 1.00 3.35 H new ATOM 0 HB3 LYS A 90 5.269 -19.558 0.159 1.00 3.35 H new ATOM 0 HG2 LYS A 90 5.917 -20.468 2.349 1.00 34.24 H new ATOM 0 HG3 LYS A 90 4.525 -19.717 3.103 1.00 34.24 H new ATOM 0 HD2 LYS A 90 4.071 -22.087 2.696 1.00 12.43 H new ATOM 0 HD3 LYS A 90 3.003 -21.100 1.718 1.00 12.43 H new ATOM 0 HE2 LYS A 90 4.475 -21.431 -0.248 1.00 31.24 H new ATOM 0 HE3 LYS A 90 5.575 -22.387 0.725 1.00 31.24 H new ATOM 0 HZ1 LYS A 90 4.086 -23.781 -0.539 1.00 34.25 H new ATOM 0 HZ2 LYS A 90 3.798 -23.977 1.123 1.00 34.25 H new ATOM 0 HZ3 LYS A 90 2.732 -23.051 0.180 1.00 34.25 H new ATOM 1299 N PRO A 91 4.359 -15.873 2.247 1.00 63.03 N ATOM 1300 CA PRO A 91 3.695 -15.082 3.252 1.00 61.42 C ATOM 1301 C PRO A 91 2.311 -15.607 3.589 1.00 25.32 C ATOM 1302 O PRO A 91 1.638 -16.230 2.768 1.00 51.03 O ATOM 1303 CB PRO A 91 3.618 -13.693 2.643 1.00 11.43 C ATOM 1304 CG PRO A 91 3.620 -13.913 1.173 1.00 10.21 C ATOM 1305 CD PRO A 91 4.346 -15.210 0.922 1.00 43.54 C ATOM 0 HA PRO A 91 4.236 -15.104 4.198 1.00 61.42 H new ATOM 0 HB2 PRO A 91 2.715 -13.172 2.962 1.00 11.43 H new ATOM 0 HB3 PRO A 91 4.465 -13.080 2.951 1.00 11.43 H new ATOM 0 HG2 PRO A 91 2.601 -13.961 0.789 1.00 10.21 H new ATOM 0 HG3 PRO A 91 4.115 -13.088 0.660 1.00 10.21 H new ATOM 0 HD2 PRO A 91 3.833 -15.817 0.176 1.00 43.54 H new ATOM 0 HD3 PRO A 91 5.357 -15.037 0.552 1.00 43.54 H new ATOM 1313 N THR A 92 1.916 -15.392 4.797 1.00 52.21 N ATOM 1314 CA THR A 92 0.663 -15.781 5.260 1.00 3.10 C ATOM 1315 C THR A 92 -0.216 -14.560 5.412 1.00 63.32 C ATOM 1316 O THR A 92 0.296 -13.432 5.574 1.00 33.22 O ATOM 1317 CB THR A 92 0.840 -16.448 6.616 1.00 63.44 C ATOM 1318 OG1 THR A 92 1.703 -15.633 7.436 1.00 70.32 O ATOM 1319 CG2 THR A 92 1.413 -17.847 6.481 1.00 34.22 C ATOM 0 H THR A 92 2.488 -14.924 5.499 1.00 52.21 H new ATOM 0 HA THR A 92 0.198 -16.473 4.557 1.00 3.10 H new ATOM 0 HB THR A 92 -0.139 -16.541 7.085 1.00 63.44 H new ATOM 0 HG1 THR A 92 1.768 -16.024 8.332 1.00 70.32 H new ATOM 0 HG21 THR A 92 1.525 -18.291 7.470 1.00 34.22 H new ATOM 0 HG22 THR A 92 0.739 -18.460 5.882 1.00 34.22 H new ATOM 0 HG23 THR A 92 2.387 -17.796 5.994 1.00 34.22 H new ATOM 1325 N TYR A 93 -1.514 -14.769 5.378 1.00 54.53 N ATOM 1326 CA TYR A 93 -2.468 -13.702 5.574 1.00 43.11 C ATOM 1327 C TYR A 93 -2.306 -13.114 6.952 1.00 11.15 C ATOM 1328 O TYR A 93 -2.522 -11.951 7.144 1.00 31.51 O ATOM 1329 CB TYR A 93 -3.898 -14.171 5.324 1.00 54.11 C ATOM 1330 CG TYR A 93 -4.181 -14.485 3.875 1.00 51.51 C ATOM 1331 CD1 TYR A 93 -3.855 -15.715 3.311 1.00 54.11 C ATOM 1332 CD2 TYR A 93 -4.769 -13.537 3.066 1.00 22.23 C ATOM 1333 CE1 TYR A 93 -4.115 -15.973 1.975 1.00 52.55 C ATOM 1334 CE2 TYR A 93 -5.031 -13.786 1.748 1.00 54.50 C ATOM 1335 CZ TYR A 93 -4.705 -14.997 1.203 1.00 10.02 C ATOM 1336 OH TYR A 93 -4.970 -15.229 -0.133 1.00 74.35 O ATOM 0 H TYR A 93 -1.936 -15.683 5.214 1.00 54.53 H new ATOM 0 HA TYR A 93 -2.266 -12.921 4.841 1.00 43.11 H new ATOM 0 HB2 TYR A 93 -4.091 -15.059 5.925 1.00 54.11 H new ATOM 0 HB3 TYR A 93 -4.590 -13.400 5.663 1.00 54.11 H new ATOM 0 HD1 TYR A 93 -3.394 -16.477 3.922 1.00 54.11 H new ATOM 0 HD2 TYR A 93 -5.029 -12.575 3.483 1.00 22.23 H new ATOM 0 HE1 TYR A 93 -3.858 -16.929 1.544 1.00 52.55 H new ATOM 0 HE2 TYR A 93 -5.496 -13.026 1.137 1.00 54.50 H new ATOM 0 HH TYR A 93 -5.281 -14.400 -0.554 1.00 74.35 H new ATOM 1346 N GLU A 94 -1.895 -13.953 7.890 1.00 64.04 N ATOM 1347 CA GLU A 94 -1.593 -13.550 9.264 1.00 13.43 C ATOM 1348 C GLU A 94 -0.632 -12.341 9.302 1.00 61.21 C ATOM 1349 O GLU A 94 -0.921 -11.318 9.937 1.00 4.04 O ATOM 1350 CB GLU A 94 -0.946 -14.742 9.966 1.00 44.34 C ATOM 1351 CG GLU A 94 -0.386 -14.456 11.342 1.00 11.23 C ATOM 1352 CD GLU A 94 0.244 -15.676 11.938 1.00 51.40 C ATOM 1353 OE1 GLU A 94 1.291 -16.137 11.421 1.00 72.24 O ATOM 1354 OE2 GLU A 94 -0.291 -16.202 12.926 1.00 20.41 O ATOM 0 H GLU A 94 -1.758 -14.949 7.720 1.00 64.04 H new ATOM 0 HA GLU A 94 -2.514 -13.250 9.763 1.00 13.43 H new ATOM 0 HB2 GLU A 94 -1.686 -15.538 10.051 1.00 44.34 H new ATOM 0 HB3 GLU A 94 -0.141 -15.121 9.336 1.00 44.34 H new ATOM 0 HG2 GLU A 94 0.353 -13.657 11.277 1.00 11.23 H new ATOM 0 HG3 GLU A 94 -1.183 -14.100 11.995 1.00 11.23 H new ATOM 1361 N ASN A 95 0.477 -12.453 8.586 1.00 51.24 N ATOM 1362 CA ASN A 95 1.478 -11.384 8.557 1.00 35.34 C ATOM 1363 C ASN A 95 1.021 -10.232 7.715 1.00 51.30 C ATOM 1364 O ASN A 95 1.256 -9.070 8.053 1.00 72.31 O ATOM 1365 CB ASN A 95 2.851 -11.883 8.085 1.00 13.12 C ATOM 1366 CG ASN A 95 3.541 -12.771 9.099 1.00 33.24 C ATOM 1367 OD1 ASN A 95 4.288 -12.292 9.943 1.00 3.21 O ATOM 1368 ND2 ASN A 95 3.304 -14.058 9.033 1.00 51.52 N ATOM 0 H ASN A 95 0.711 -13.267 8.018 1.00 51.24 H new ATOM 0 HA ASN A 95 1.592 -11.038 9.584 1.00 35.34 H new ATOM 0 HB2 ASN A 95 2.730 -12.433 7.152 1.00 13.12 H new ATOM 0 HB3 ASN A 95 3.488 -11.025 7.869 1.00 13.12 H new ATOM 0 HD21 ASN A 95 3.747 -14.693 9.697 1.00 51.52 H new ATOM 0 HD22 ASN A 95 2.676 -14.425 8.318 1.00 51.52 H new ATOM 1374 N LEU A 96 0.351 -10.546 6.624 1.00 53.43 N ATOM 1375 CA LEU A 96 -0.162 -9.533 5.725 1.00 14.21 C ATOM 1376 C LEU A 96 -1.199 -8.673 6.453 1.00 1.41 C ATOM 1377 O LEU A 96 -1.178 -7.454 6.366 1.00 45.33 O ATOM 1378 CB LEU A 96 -0.789 -10.194 4.493 1.00 24.14 C ATOM 1379 CG LEU A 96 -1.340 -9.249 3.421 1.00 2.32 C ATOM 1380 CD1 LEU A 96 -0.240 -8.356 2.872 1.00 24.24 C ATOM 1381 CD2 LEU A 96 -1.985 -10.040 2.303 1.00 33.40 C ATOM 0 H LEU A 96 0.148 -11.504 6.338 1.00 53.43 H new ATOM 0 HA LEU A 96 0.659 -8.895 5.398 1.00 14.21 H new ATOM 0 HB2 LEU A 96 -0.039 -10.836 4.030 1.00 24.14 H new ATOM 0 HB3 LEU A 96 -1.600 -10.841 4.828 1.00 24.14 H new ATOM 0 HG LEU A 96 -2.097 -8.614 3.881 1.00 2.32 H new ATOM 0 HD11 LEU A 96 -0.655 -7.693 2.112 1.00 24.24 H new ATOM 0 HD12 LEU A 96 0.183 -7.761 3.681 1.00 24.24 H new ATOM 0 HD13 LEU A 96 0.542 -8.973 2.428 1.00 24.24 H new ATOM 0 HD21 LEU A 96 -2.372 -9.355 1.549 1.00 33.40 H new ATOM 0 HD22 LEU A 96 -1.245 -10.699 1.849 1.00 33.40 H new ATOM 0 HD23 LEU A 96 -2.804 -10.637 2.705 1.00 33.40 H new ATOM 1389 N GLN A 97 -2.074 -9.341 7.194 1.00 5.42 N ATOM 1390 CA GLN A 97 -3.130 -8.713 7.970 1.00 61.54 C ATOM 1391 C GLN A 97 -2.556 -7.743 8.965 1.00 40.31 C ATOM 1392 O GLN A 97 -2.987 -6.612 9.040 1.00 42.02 O ATOM 1393 CB GLN A 97 -3.929 -9.778 8.714 1.00 1.14 C ATOM 1394 CG GLN A 97 -5.080 -9.246 9.535 1.00 60.40 C ATOM 1395 CD GLN A 97 -5.794 -10.345 10.274 1.00 21.41 C ATOM 1396 OE1 GLN A 97 -5.455 -10.677 11.414 1.00 62.35 O ATOM 1397 NE2 GLN A 97 -6.776 -10.923 9.647 1.00 42.33 N ATOM 0 H GLN A 97 -2.067 -10.358 7.272 1.00 5.42 H new ATOM 0 HA GLN A 97 -3.782 -8.172 7.284 1.00 61.54 H new ATOM 0 HB2 GLN A 97 -4.318 -10.493 7.989 1.00 1.14 H new ATOM 0 HB3 GLN A 97 -3.254 -10.326 9.372 1.00 1.14 H new ATOM 0 HG2 GLN A 97 -4.708 -8.510 10.248 1.00 60.40 H new ATOM 0 HG3 GLN A 97 -5.784 -8.730 8.882 1.00 60.40 H new ATOM 0 HE21 GLN A 97 -7.028 -10.622 8.706 1.00 42.33 H new ATOM 0 HE22 GLN A 97 -7.294 -11.678 10.097 1.00 42.33 H new ATOM 1405 N LYS A 98 -1.564 -8.185 9.714 1.00 74.22 N ATOM 1406 CA LYS A 98 -0.966 -7.336 10.725 1.00 75.43 C ATOM 1407 C LYS A 98 -0.219 -6.175 10.118 1.00 42.32 C ATOM 1408 O LYS A 98 -0.135 -5.113 10.714 1.00 23.53 O ATOM 1409 CB LYS A 98 -0.125 -8.133 11.717 1.00 51.22 C ATOM 1410 CG LYS A 98 -0.945 -9.155 12.496 1.00 53.44 C ATOM 1411 CD LYS A 98 -2.097 -8.475 13.225 1.00 52.12 C ATOM 1412 CE LYS A 98 -2.984 -9.467 13.928 1.00 43.22 C ATOM 1413 NZ LYS A 98 -4.160 -8.799 14.527 1.00 42.13 N ATOM 0 H LYS A 98 -1.159 -9.118 9.643 1.00 74.22 H new ATOM 0 HA LYS A 98 -1.781 -6.901 11.303 1.00 75.43 H new ATOM 0 HB2 LYS A 98 0.673 -8.646 11.180 1.00 51.22 H new ATOM 0 HB3 LYS A 98 0.352 -7.447 12.417 1.00 51.22 H new ATOM 0 HG2 LYS A 98 -1.335 -9.912 11.815 1.00 53.44 H new ATOM 0 HG3 LYS A 98 -0.307 -9.670 13.214 1.00 53.44 H new ATOM 0 HD2 LYS A 98 -1.699 -7.767 13.951 1.00 52.12 H new ATOM 0 HD3 LYS A 98 -2.689 -7.901 12.512 1.00 52.12 H new ATOM 0 HE2 LYS A 98 -3.315 -10.228 13.221 1.00 43.22 H new ATOM 0 HE3 LYS A 98 -2.417 -9.979 14.706 1.00 43.22 H new ATOM 0 HZ1 LYS A 98 -4.797 -9.515 14.932 1.00 42.13 H new ATOM 0 HZ2 LYS A 98 -3.846 -8.151 15.277 1.00 42.13 H new ATOM 0 HZ3 LYS A 98 -4.665 -8.261 13.794 1.00 42.13 H new ATOM 1427 N SER A 99 0.279 -6.363 8.922 1.00 22.14 N ATOM 1428 CA SER A 99 0.907 -5.288 8.211 1.00 25.13 C ATOM 1429 C SER A 99 -0.184 -4.260 7.786 1.00 72.53 C ATOM 1430 O SER A 99 0.009 -3.040 7.895 1.00 64.32 O ATOM 1431 CB SER A 99 1.683 -5.847 7.009 1.00 4.12 C ATOM 1432 OG SER A 99 2.642 -6.809 7.436 1.00 42.32 O ATOM 0 H SER A 99 0.260 -7.253 8.423 1.00 22.14 H new ATOM 0 HA SER A 99 1.627 -4.772 8.847 1.00 25.13 H new ATOM 0 HB2 SER A 99 0.990 -6.305 6.303 1.00 4.12 H new ATOM 0 HB3 SER A 99 2.184 -5.035 6.483 1.00 4.12 H new ATOM 0 HG SER A 99 2.180 -7.616 7.746 1.00 42.32 H new ATOM 1438 N LEU A 100 -1.347 -4.779 7.352 1.00 3.54 N ATOM 1439 CA LEU A 100 -2.501 -3.941 6.982 1.00 21.33 C ATOM 1440 C LEU A 100 -2.982 -3.168 8.209 1.00 43.23 C ATOM 1441 O LEU A 100 -3.265 -1.961 8.149 1.00 60.43 O ATOM 1442 CB LEU A 100 -3.672 -4.815 6.474 1.00 43.03 C ATOM 1443 CG LEU A 100 -3.425 -5.708 5.251 1.00 73.35 C ATOM 1444 CD1 LEU A 100 -4.653 -6.555 4.965 1.00 42.21 C ATOM 1445 CD2 LEU A 100 -3.075 -4.875 4.035 1.00 5.34 C ATOM 0 H LEU A 100 -1.512 -5.780 7.249 1.00 3.54 H new ATOM 0 HA LEU A 100 -2.187 -3.258 6.193 1.00 21.33 H new ATOM 0 HB2 LEU A 100 -3.992 -5.455 7.296 1.00 43.03 H new ATOM 0 HB3 LEU A 100 -4.506 -4.153 6.242 1.00 43.03 H new ATOM 0 HG LEU A 100 -2.582 -6.363 5.472 1.00 73.35 H new ATOM 0 HD11 LEU A 100 -4.466 -7.185 4.095 1.00 42.21 H new ATOM 0 HD12 LEU A 100 -4.870 -7.184 5.828 1.00 42.21 H new ATOM 0 HD13 LEU A 100 -5.505 -5.905 4.766 1.00 42.21 H new ATOM 0 HD21 LEU A 100 -2.905 -5.531 3.181 1.00 5.34 H new ATOM 0 HD22 LEU A 100 -3.897 -4.195 3.811 1.00 5.34 H new ATOM 0 HD23 LEU A 100 -2.172 -4.299 4.236 1.00 5.34 H new ATOM 1453 N GLU A 101 -3.046 -3.875 9.318 1.00 72.24 N ATOM 1454 CA GLU A 101 -3.516 -3.315 10.576 1.00 44.42 C ATOM 1455 C GLU A 101 -2.525 -2.307 11.138 1.00 54.13 C ATOM 1456 O GLU A 101 -2.897 -1.386 11.869 1.00 24.45 O ATOM 1457 CB GLU A 101 -3.895 -4.392 11.617 1.00 61.22 C ATOM 1458 CG GLU A 101 -5.004 -5.334 11.143 1.00 61.45 C ATOM 1459 CD GLU A 101 -5.583 -6.203 12.241 1.00 31.45 C ATOM 1460 OE1 GLU A 101 -5.072 -7.310 12.502 1.00 3.31 O ATOM 1461 OE2 GLU A 101 -6.589 -5.792 12.849 1.00 11.35 O ATOM 0 H GLU A 101 -2.774 -4.856 9.377 1.00 72.24 H new ATOM 0 HA GLU A 101 -4.440 -2.784 10.350 1.00 44.42 H new ATOM 0 HB2 GLU A 101 -3.009 -4.979 11.860 1.00 61.22 H new ATOM 0 HB3 GLU A 101 -4.214 -3.901 12.536 1.00 61.22 H new ATOM 0 HG2 GLU A 101 -5.806 -4.742 10.701 1.00 61.45 H new ATOM 0 HG3 GLU A 101 -4.610 -5.976 10.355 1.00 61.45 H new ATOM 1468 N ALA A 102 -1.274 -2.492 10.821 1.00 20.03 N ATOM 1469 CA ALA A 102 -0.260 -1.569 11.237 1.00 1.25 C ATOM 1470 C ALA A 102 -0.352 -0.255 10.456 1.00 1.00 C ATOM 1471 O ALA A 102 -0.201 0.832 11.034 1.00 34.42 O ATOM 1472 CB ALA A 102 1.124 -2.184 11.109 1.00 0.31 C ATOM 0 H ALA A 102 -0.932 -3.280 10.272 1.00 20.03 H new ATOM 0 HA ALA A 102 -0.430 -1.342 12.289 1.00 1.25 H new ATOM 0 HB1 ALA A 102 1.874 -1.462 11.431 1.00 0.31 H new ATOM 0 HB2 ALA A 102 1.186 -3.075 11.734 1.00 0.31 H new ATOM 0 HB3 ALA A 102 1.306 -2.457 10.070 1.00 0.31 H new ATOM 1478 N MET A 103 -0.632 -0.327 9.150 1.00 21.25 N ATOM 1479 CA MET A 103 -0.675 0.890 8.374 1.00 21.13 C ATOM 1480 C MET A 103 -1.914 1.721 8.651 1.00 61.12 C ATOM 1481 O MET A 103 -1.847 2.941 8.597 1.00 14.21 O ATOM 1482 CB MET A 103 -0.457 0.675 6.881 1.00 45.52 C ATOM 1483 CG MET A 103 -1.492 -0.134 6.189 1.00 24.42 C ATOM 1484 SD MET A 103 -1.142 -0.293 4.438 1.00 73.45 S ATOM 1485 CE MET A 103 -2.494 -1.319 3.955 1.00 14.45 C ATOM 0 H MET A 103 -0.824 -1.186 8.635 1.00 21.25 H new ATOM 0 HA MET A 103 0.181 1.470 8.719 1.00 21.13 H new ATOM 0 HB2 MET A 103 -0.400 1.650 6.397 1.00 45.52 H new ATOM 0 HB3 MET A 103 0.510 0.192 6.740 1.00 45.52 H new ATOM 0 HG2 MET A 103 -1.544 -1.124 6.642 1.00 24.42 H new ATOM 0 HG3 MET A 103 -2.469 0.330 6.325 1.00 24.42 H new ATOM 0 HE1 MET A 103 -2.119 -2.174 3.392 1.00 14.45 H new ATOM 0 HE2 MET A 103 -3.019 -1.671 4.843 1.00 14.45 H new ATOM 0 HE3 MET A 103 -3.180 -0.747 3.331 1.00 14.45 H new ATOM 1495 N LYS A 104 -3.041 1.070 8.960 1.00 12.41 N ATOM 1496 CA LYS A 104 -4.280 1.799 9.278 1.00 54.44 C ATOM 1497 C LYS A 104 -4.091 2.706 10.486 1.00 23.03 C ATOM 1498 O LYS A 104 -4.549 3.856 10.486 1.00 54.11 O ATOM 1499 CB LYS A 104 -5.447 0.858 9.503 1.00 34.52 C ATOM 1500 CG LYS A 104 -5.263 -0.093 10.645 1.00 42.33 C ATOM 1501 CD LYS A 104 -6.495 -0.893 10.912 1.00 54.20 C ATOM 1502 CE LYS A 104 -7.647 0.015 11.210 1.00 61.34 C ATOM 1503 NZ LYS A 104 -8.819 -0.739 11.699 1.00 35.13 N ATOM 0 H LYS A 104 -3.124 0.054 8.997 1.00 12.41 H new ATOM 0 HA LYS A 104 -4.514 2.419 8.413 1.00 54.44 H new ATOM 0 HB2 LYS A 104 -6.346 1.449 9.679 1.00 34.52 H new ATOM 0 HB3 LYS A 104 -5.616 0.284 8.592 1.00 34.52 H new ATOM 0 HG2 LYS A 104 -4.434 -0.766 10.426 1.00 42.33 H new ATOM 0 HG3 LYS A 104 -4.992 0.465 11.541 1.00 42.33 H new ATOM 0 HD2 LYS A 104 -6.727 -1.516 10.048 1.00 54.20 H new ATOM 0 HD3 LYS A 104 -6.326 -1.565 11.753 1.00 54.20 H new ATOM 0 HE2 LYS A 104 -7.348 0.750 11.958 1.00 61.34 H new ATOM 0 HE3 LYS A 104 -7.918 0.568 10.310 1.00 61.34 H new ATOM 0 HZ1 LYS A 104 -9.476 -0.089 12.176 1.00 35.13 H new ATOM 0 HZ2 LYS A 104 -9.301 -1.190 10.896 1.00 35.13 H new ATOM 0 HZ3 LYS A 104 -8.506 -1.470 12.370 1.00 35.13 H new ATOM 1517 N SER A 105 -3.399 2.185 11.496 1.00 62.14 N ATOM 1518 CA SER A 105 -3.071 2.939 12.693 1.00 20.53 C ATOM 1519 C SER A 105 -2.292 4.203 12.309 1.00 75.13 C ATOM 1520 O SER A 105 -2.631 5.322 12.734 1.00 53.24 O ATOM 1521 CB SER A 105 -2.226 2.066 13.619 1.00 21.01 C ATOM 1522 OG SER A 105 -2.895 0.837 13.910 1.00 35.12 O ATOM 0 H SER A 105 -3.051 1.226 11.503 1.00 62.14 H new ATOM 0 HA SER A 105 -3.987 3.231 13.207 1.00 20.53 H new ATOM 0 HB2 SER A 105 -1.263 1.859 13.152 1.00 21.01 H new ATOM 0 HB3 SER A 105 -2.022 2.602 14.546 1.00 21.01 H new ATOM 0 HG SER A 105 -2.750 0.204 13.176 1.00 35.12 H new ATOM 1528 N HIS A 106 -1.275 4.013 11.468 1.00 14.34 N ATOM 1529 CA HIS A 106 -0.446 5.101 10.979 1.00 13.13 C ATOM 1530 C HIS A 106 -1.259 6.100 10.154 1.00 14.52 C ATOM 1531 O HIS A 106 -1.044 7.309 10.257 1.00 63.12 O ATOM 1532 CB HIS A 106 0.724 4.563 10.130 1.00 4.13 C ATOM 1533 CG HIS A 106 1.578 5.653 9.523 1.00 31.51 C ATOM 1534 ND1 HIS A 106 1.273 6.261 8.322 1.00 32.45 N ATOM 1535 CD2 HIS A 106 2.694 6.262 9.968 1.00 73.31 C ATOM 1536 CE1 HIS A 106 2.144 7.185 8.061 1.00 21.20 C ATOM 1537 NE2 HIS A 106 3.024 7.213 9.039 1.00 55.12 N ATOM 0 H HIS A 106 -1.007 3.096 11.109 1.00 14.34 H new ATOM 0 HA HIS A 106 -0.047 5.617 11.853 1.00 13.13 H new ATOM 0 HB2 HIS A 106 1.351 3.925 10.753 1.00 4.13 H new ATOM 0 HB3 HIS A 106 0.326 3.937 9.332 1.00 4.13 H new ATOM 0 HD1 HIS A 106 0.480 6.019 7.728 1.00 32.45 H new ATOM 0 HD2 HIS A 106 3.226 6.043 10.882 1.00 73.31 H new ATOM 0 HE1 HIS A 106 2.147 7.823 7.190 1.00 21.20 H new ATOM 1546 N CYS A 107 -2.160 5.592 9.327 1.00 21.41 N ATOM 1547 CA CYS A 107 -2.951 6.437 8.453 1.00 34.33 C ATOM 1548 C CYS A 107 -3.770 7.441 9.232 1.00 51.53 C ATOM 1549 O CYS A 107 -3.619 8.634 9.028 1.00 73.44 O ATOM 1550 CB CYS A 107 -3.844 5.612 7.531 1.00 31.14 C ATOM 1551 SG CYS A 107 -2.951 4.524 6.409 1.00 12.51 S ATOM 0 H CYS A 107 -2.360 4.595 9.245 1.00 21.41 H new ATOM 0 HA CYS A 107 -2.248 6.992 7.832 1.00 34.33 H new ATOM 0 HB2 CYS A 107 -4.518 5.011 8.141 1.00 31.14 H new ATOM 0 HB3 CYS A 107 -4.464 6.290 6.944 1.00 31.14 H new ATOM 0 HG CYS A 107 -2.282 3.646 7.096 1.00 12.51 H new ATOM 1557 N LEU A 108 -4.583 6.964 10.162 1.00 10.03 N ATOM 1558 CA LEU A 108 -5.429 7.847 10.972 1.00 11.42 C ATOM 1559 C LEU A 108 -4.570 8.818 11.777 1.00 34.44 C ATOM 1560 O LEU A 108 -4.903 9.986 11.929 1.00 13.35 O ATOM 1561 CB LEU A 108 -6.320 7.027 11.906 1.00 4.42 C ATOM 1562 CG LEU A 108 -7.297 6.058 11.233 1.00 71.44 C ATOM 1563 CD1 LEU A 108 -8.065 5.279 12.277 1.00 40.30 C ATOM 1564 CD2 LEU A 108 -8.260 6.804 10.314 1.00 24.44 C ATOM 0 H LEU A 108 -4.680 5.972 10.379 1.00 10.03 H new ATOM 0 HA LEU A 108 -6.067 8.422 10.301 1.00 11.42 H new ATOM 0 HB2 LEU A 108 -5.678 6.455 12.577 1.00 4.42 H new ATOM 0 HB3 LEU A 108 -6.894 7.717 12.525 1.00 4.42 H new ATOM 0 HG LEU A 108 -6.720 5.360 10.626 1.00 71.44 H new ATOM 0 HD11 LEU A 108 -8.756 4.594 11.785 1.00 40.30 H new ATOM 0 HD12 LEU A 108 -7.368 4.711 12.893 1.00 40.30 H new ATOM 0 HD13 LEU A 108 -8.626 5.970 12.907 1.00 40.30 H new ATOM 0 HD21 LEU A 108 -8.943 6.093 9.849 1.00 24.44 H new ATOM 0 HD22 LEU A 108 -8.831 7.528 10.896 1.00 24.44 H new ATOM 0 HD23 LEU A 108 -7.695 7.324 9.540 1.00 24.44 H new ATOM 1572 N LYS A 109 -3.445 8.313 12.241 1.00 13.43 N ATOM 1573 CA LYS A 109 -2.470 9.075 13.012 1.00 52.22 C ATOM 1574 C LYS A 109 -1.933 10.275 12.197 1.00 75.35 C ATOM 1575 O LYS A 109 -1.856 11.392 12.693 1.00 3.33 O ATOM 1576 CB LYS A 109 -1.315 8.131 13.371 1.00 53.12 C ATOM 1577 CG LYS A 109 -0.176 8.727 14.175 1.00 50.15 C ATOM 1578 CD LYS A 109 0.939 7.699 14.313 1.00 61.41 C ATOM 1579 CE LYS A 109 2.132 8.239 15.075 1.00 50.23 C ATOM 1580 NZ LYS A 109 3.247 7.264 15.094 1.00 41.22 N ATOM 0 H LYS A 109 -3.173 7.341 12.092 1.00 13.43 H new ATOM 0 HA LYS A 109 -2.942 9.471 13.911 1.00 52.22 H new ATOM 0 HB2 LYS A 109 -1.724 7.290 13.931 1.00 53.12 H new ATOM 0 HB3 LYS A 109 -0.904 7.728 12.445 1.00 53.12 H new ATOM 0 HG2 LYS A 109 0.200 9.624 13.683 1.00 50.15 H new ATOM 0 HG3 LYS A 109 -0.531 9.029 15.160 1.00 50.15 H new ATOM 0 HD2 LYS A 109 0.554 6.816 14.824 1.00 61.41 H new ATOM 0 HD3 LYS A 109 1.259 7.379 13.321 1.00 61.41 H new ATOM 0 HE2 LYS A 109 2.468 9.169 14.617 1.00 50.23 H new ATOM 0 HE3 LYS A 109 1.836 8.476 16.097 1.00 50.23 H new ATOM 0 HZ1 LYS A 109 4.048 7.663 15.623 1.00 41.22 H new ATOM 0 HZ2 LYS A 109 2.932 6.386 15.553 1.00 41.22 H new ATOM 0 HZ3 LYS A 109 3.544 7.058 14.119 1.00 41.22 H new ATOM 1594 N ASN A 110 -1.582 10.028 10.942 1.00 55.21 N ATOM 1595 CA ASN A 110 -0.964 11.069 10.087 1.00 43.43 C ATOM 1596 C ASN A 110 -1.978 11.796 9.211 1.00 52.30 C ATOM 1597 O ASN A 110 -1.614 12.695 8.447 1.00 1.02 O ATOM 1598 CB ASN A 110 0.171 10.490 9.202 1.00 64.30 C ATOM 1599 CG ASN A 110 1.430 10.052 9.968 1.00 3.25 C ATOM 1600 OD1 ASN A 110 1.286 9.607 11.174 1.00 64.41 O flip ATOM 1601 ND2 ASN A 110 2.528 10.102 9.448 1.00 51.31 N flip ATOM 0 H ASN A 110 -1.708 9.126 10.483 1.00 55.21 H new ATOM 0 HA ASN A 110 -0.538 11.797 10.778 1.00 43.43 H new ATOM 0 HB2 ASN A 110 -0.218 9.633 8.652 1.00 64.30 H new ATOM 0 HB3 ASN A 110 0.455 11.240 8.464 1.00 64.30 H new ATOM 0 HD21 ASN A 110 2.626 10.455 8.496 1.00 51.31 H new ATOM 0 HD22 ASN A 110 3.351 9.791 9.964 1.00 51.31 H new ATOM 1607 N GLY A 111 -3.230 11.413 9.307 1.00 60.31 N ATOM 1608 CA GLY A 111 -4.266 12.066 8.526 1.00 1.14 C ATOM 1609 C GLY A 111 -4.389 11.499 7.123 1.00 64.32 C ATOM 1610 O GLY A 111 -4.992 12.115 6.241 1.00 25.30 O ATOM 0 H GLY A 111 -3.558 10.660 9.911 1.00 60.31 H new ATOM 0 HA2 GLY A 111 -5.222 11.963 9.040 1.00 1.14 H new ATOM 0 HA3 GLY A 111 -4.051 13.133 8.465 1.00 1.14 H new ATOM 1614 N VAL A 112 -3.836 10.329 6.922 1.00 30.11 N ATOM 1615 CA VAL A 112 -3.880 9.669 5.640 1.00 34.12 C ATOM 1616 C VAL A 112 -5.216 8.957 5.499 1.00 50.43 C ATOM 1617 O VAL A 112 -5.530 8.042 6.255 1.00 44.53 O ATOM 1618 CB VAL A 112 -2.699 8.669 5.459 1.00 64.34 C ATOM 1619 CG1 VAL A 112 -2.777 7.967 4.111 1.00 31.02 C ATOM 1620 CG2 VAL A 112 -1.375 9.398 5.593 1.00 22.35 C ATOM 0 H VAL A 112 -3.341 9.806 7.644 1.00 30.11 H new ATOM 0 HA VAL A 112 -3.776 10.420 4.857 1.00 34.12 H new ATOM 0 HB VAL A 112 -2.772 7.912 6.240 1.00 64.34 H new ATOM 0 HG11 VAL A 112 -1.940 7.275 4.012 1.00 31.02 H new ATOM 0 HG12 VAL A 112 -3.714 7.415 4.042 1.00 31.02 H new ATOM 0 HG13 VAL A 112 -2.732 8.707 3.312 1.00 31.02 H new ATOM 0 HG21 VAL A 112 -0.556 8.691 5.465 1.00 22.35 H new ATOM 0 HG22 VAL A 112 -1.308 10.173 4.830 1.00 22.35 H new ATOM 0 HG23 VAL A 112 -1.309 9.854 6.581 1.00 22.35 H new ATOM 1626 N THR A 113 -6.009 9.417 4.577 1.00 33.21 N ATOM 1627 CA THR A 113 -7.327 8.873 4.362 1.00 11.04 C ATOM 1628 C THR A 113 -7.447 8.292 2.941 1.00 44.00 C ATOM 1629 O THR A 113 -8.341 7.499 2.643 1.00 41.12 O ATOM 1630 CB THR A 113 -8.358 9.995 4.608 1.00 34.32 C ATOM 1631 OG1 THR A 113 -8.108 10.530 5.920 1.00 63.13 O ATOM 1632 CG2 THR A 113 -9.783 9.482 4.557 1.00 24.21 C ATOM 0 H THR A 113 -5.764 10.182 3.948 1.00 33.21 H new ATOM 0 HA THR A 113 -7.517 8.053 5.055 1.00 11.04 H new ATOM 0 HB THR A 113 -8.251 10.748 3.827 1.00 34.32 H new ATOM 0 HG1 THR A 113 -8.747 11.249 6.107 1.00 63.13 H new ATOM 0 HG21 THR A 113 -10.473 10.307 4.736 1.00 24.21 H new ATOM 0 HG22 THR A 113 -9.979 9.050 3.576 1.00 24.21 H new ATOM 0 HG23 THR A 113 -9.923 8.719 5.323 1.00 24.21 H new ATOM 1638 N ASP A 114 -6.523 8.669 2.095 1.00 11.11 N ATOM 1639 CA ASP A 114 -6.488 8.201 0.722 1.00 65.12 C ATOM 1640 C ASP A 114 -5.411 7.141 0.621 1.00 54.43 C ATOM 1641 O ASP A 114 -4.221 7.435 0.836 1.00 51.20 O ATOM 1642 CB ASP A 114 -6.142 9.352 -0.228 1.00 54.51 C ATOM 1643 CG ASP A 114 -7.101 10.516 -0.171 1.00 44.04 C ATOM 1644 OD1 ASP A 114 -6.897 11.421 0.666 1.00 43.20 O ATOM 1645 OD2 ASP A 114 -8.053 10.559 -0.971 1.00 41.13 O ATOM 0 H ASP A 114 -5.768 9.312 2.334 1.00 11.11 H new ATOM 0 HA ASP A 114 -7.463 7.801 0.445 1.00 65.12 H new ATOM 0 HB2 ASP A 114 -5.140 9.711 0.005 1.00 54.51 H new ATOM 0 HB3 ASP A 114 -6.114 8.969 -1.248 1.00 54.51 H new ATOM 1650 N LEU A 115 -5.792 5.930 0.312 1.00 43.15 N ATOM 1651 CA LEU A 115 -4.845 4.838 0.297 1.00 2.31 C ATOM 1652 C LEU A 115 -4.926 4.139 -1.078 1.00 15.13 C ATOM 1653 O LEU A 115 -5.999 3.698 -1.496 1.00 21.21 O ATOM 1654 CB LEU A 115 -5.262 3.848 1.402 1.00 62.44 C ATOM 1655 CG LEU A 115 -4.205 2.883 1.990 1.00 10.45 C ATOM 1656 CD1 LEU A 115 -3.404 2.164 0.940 1.00 53.23 C ATOM 1657 CD2 LEU A 115 -3.313 3.585 2.979 1.00 74.15 C ATOM 0 H LEU A 115 -6.748 5.671 0.067 1.00 43.15 H new ATOM 0 HA LEU A 115 -3.828 5.191 0.466 1.00 2.31 H new ATOM 0 HB2 LEU A 115 -5.669 4.431 2.228 1.00 62.44 H new ATOM 0 HB3 LEU A 115 -6.077 3.241 1.008 1.00 62.44 H new ATOM 0 HG LEU A 115 -4.762 2.112 2.521 1.00 10.45 H new ATOM 0 HD11 LEU A 115 -2.682 1.504 1.421 1.00 53.23 H new ATOM 0 HD12 LEU A 115 -4.073 1.574 0.313 1.00 53.23 H new ATOM 0 HD13 LEU A 115 -2.876 2.892 0.324 1.00 53.23 H new ATOM 0 HD21 LEU A 115 -2.582 2.880 3.374 1.00 74.15 H new ATOM 0 HD22 LEU A 115 -2.795 4.406 2.483 1.00 74.15 H new ATOM 0 HD23 LEU A 115 -3.916 3.978 3.797 1.00 74.15 H new ATOM 1665 N SER A 116 -3.809 4.025 -1.755 1.00 35.44 N ATOM 1666 CA SER A 116 -3.765 3.378 -3.044 1.00 50.34 C ATOM 1667 C SER A 116 -2.709 2.263 -3.072 1.00 54.34 C ATOM 1668 O SER A 116 -1.556 2.473 -2.675 1.00 42.51 O ATOM 1669 CB SER A 116 -3.482 4.421 -4.129 1.00 71.20 C ATOM 1670 OG SER A 116 -4.482 5.437 -4.125 1.00 31.01 O ATOM 0 H SER A 116 -2.908 4.376 -1.430 1.00 35.44 H new ATOM 0 HA SER A 116 -4.733 2.914 -3.235 1.00 50.34 H new ATOM 0 HB2 SER A 116 -2.502 4.868 -3.964 1.00 71.20 H new ATOM 0 HB3 SER A 116 -3.451 3.938 -5.106 1.00 71.20 H new ATOM 0 HG SER A 116 -4.203 6.173 -4.708 1.00 31.01 H new ATOM 1676 N MET A 117 -3.106 1.079 -3.511 1.00 23.11 N ATOM 1677 CA MET A 117 -2.175 -0.034 -3.647 1.00 41.04 C ATOM 1678 C MET A 117 -2.431 -0.738 -4.980 1.00 3.35 C ATOM 1679 O MET A 117 -3.474 -0.514 -5.611 1.00 31.44 O ATOM 1680 CB MET A 117 -2.283 -1.080 -2.482 1.00 64.32 C ATOM 1681 CG MET A 117 -3.534 -1.956 -2.487 1.00 2.35 C ATOM 1682 SD MET A 117 -4.990 -1.109 -1.922 1.00 53.14 S ATOM 1683 CE MET A 117 -4.572 -0.875 -0.199 1.00 42.34 C ATOM 0 H MET A 117 -4.066 0.862 -3.780 1.00 23.11 H new ATOM 0 HA MET A 117 -1.169 0.384 -3.605 1.00 41.04 H new ATOM 0 HB2 MET A 117 -1.408 -1.729 -2.520 1.00 64.32 H new ATOM 0 HB3 MET A 117 -2.242 -0.544 -1.534 1.00 64.32 H new ATOM 0 HG2 MET A 117 -3.706 -2.325 -3.498 1.00 2.35 H new ATOM 0 HG3 MET A 117 -3.361 -2.827 -1.855 1.00 2.35 H new ATOM 0 HE1 MET A 117 -5.265 -0.163 0.250 1.00 42.34 H new ATOM 0 HE2 MET A 117 -4.641 -1.828 0.325 1.00 42.34 H new ATOM 0 HE3 MET A 117 -3.555 -0.491 -0.120 1.00 42.34 H new ATOM 1693 N PRO A 118 -1.487 -1.566 -5.453 1.00 32.44 N ATOM 1694 CA PRO A 118 -1.687 -2.352 -6.650 1.00 24.51 C ATOM 1695 C PRO A 118 -2.355 -3.677 -6.289 1.00 45.14 C ATOM 1696 O PRO A 118 -2.736 -3.893 -5.124 1.00 23.24 O ATOM 1697 CB PRO A 118 -0.256 -2.590 -7.124 1.00 32.24 C ATOM 1698 CG PRO A 118 0.536 -2.688 -5.867 1.00 74.40 C ATOM 1699 CD PRO A 118 -0.143 -1.795 -4.867 1.00 5.31 C ATOM 0 HA PRO A 118 -2.321 -1.876 -7.398 1.00 24.51 H new ATOM 0 HB2 PRO A 118 -0.179 -3.503 -7.715 1.00 32.24 H new ATOM 0 HB3 PRO A 118 0.096 -1.772 -7.753 1.00 32.24 H new ATOM 0 HG2 PRO A 118 0.570 -3.717 -5.509 1.00 74.40 H new ATOM 0 HG3 PRO A 118 1.567 -2.374 -6.032 1.00 74.40 H new ATOM 0 HD2 PRO A 118 -0.209 -2.269 -3.888 1.00 5.31 H new ATOM 0 HD3 PRO A 118 0.400 -0.859 -4.733 1.00 5.31 H new ATOM 1707 N ARG A 119 -2.489 -4.562 -7.241 1.00 22.43 N ATOM 1708 CA ARG A 119 -3.076 -5.840 -6.948 1.00 22.22 C ATOM 1709 C ARG A 119 -2.064 -6.735 -6.284 1.00 74.10 C ATOM 1710 O ARG A 119 -1.267 -7.409 -6.945 1.00 52.33 O ATOM 1711 CB ARG A 119 -3.669 -6.509 -8.178 1.00 52.44 C ATOM 1712 CG ARG A 119 -4.751 -5.700 -8.853 1.00 35.11 C ATOM 1713 CD ARG A 119 -5.340 -6.443 -10.029 1.00 12.33 C ATOM 1714 NE ARG A 119 -6.086 -7.642 -9.637 1.00 22.14 N ATOM 1715 CZ ARG A 119 -6.010 -8.831 -10.245 1.00 0.52 C ATOM 1716 NH1 ARG A 119 -5.088 -9.055 -11.183 1.00 52.44 N ATOM 1717 NH2 ARG A 119 -6.851 -9.794 -9.899 1.00 44.22 N ATOM 0 H ARG A 119 -2.204 -4.424 -8.211 1.00 22.43 H new ATOM 0 HA ARG A 119 -3.905 -5.666 -6.262 1.00 22.22 H new ATOM 0 HB2 ARG A 119 -2.871 -6.701 -8.896 1.00 52.44 H new ATOM 0 HB3 ARG A 119 -4.079 -7.477 -7.891 1.00 52.44 H new ATOM 0 HG2 ARG A 119 -5.538 -5.470 -8.134 1.00 35.11 H new ATOM 0 HG3 ARG A 119 -4.340 -4.749 -9.190 1.00 35.11 H new ATOM 0 HD2 ARG A 119 -6.002 -5.774 -10.579 1.00 12.33 H new ATOM 0 HD3 ARG A 119 -4.538 -6.728 -10.710 1.00 12.33 H new ATOM 0 HE ARG A 119 -6.713 -7.564 -8.837 1.00 22.14 H new ATOM 0 HH11 ARG A 119 -4.434 -8.316 -11.442 1.00 52.44 H new ATOM 0 HH12 ARG A 119 -5.037 -9.965 -11.641 1.00 52.44 H new ATOM 0 HH21 ARG A 119 -7.549 -9.626 -9.175 1.00 44.22 H new ATOM 0 HH22 ARG A 119 -6.801 -10.704 -10.357 1.00 44.22 H new ATOM 1729 N ILE A 120 -2.031 -6.667 -4.979 1.00 51.33 N ATOM 1730 CA ILE A 120 -1.169 -7.503 -4.210 1.00 60.54 C ATOM 1731 C ILE A 120 -1.786 -8.874 -4.068 1.00 1.12 C ATOM 1732 O ILE A 120 -2.896 -9.125 -4.556 1.00 71.42 O ATOM 1733 CB ILE A 120 -0.803 -6.894 -2.825 1.00 32.13 C ATOM 1734 CG1 ILE A 120 -2.065 -6.559 -2.019 1.00 50.45 C ATOM 1735 CG2 ILE A 120 0.071 -5.654 -3.008 1.00 13.42 C ATOM 1736 CD1 ILE A 120 -1.793 -6.029 -0.623 1.00 1.53 C ATOM 0 H ILE A 120 -2.603 -6.029 -4.426 1.00 51.33 H new ATOM 0 HA ILE A 120 -0.225 -7.587 -4.749 1.00 60.54 H new ATOM 0 HB ILE A 120 -0.238 -7.637 -2.262 1.00 32.13 H new ATOM 0 HG12 ILE A 120 -2.647 -5.819 -2.569 1.00 50.45 H new ATOM 0 HG13 ILE A 120 -2.681 -7.455 -1.941 1.00 50.45 H new ATOM 0 HG21 ILE A 120 0.320 -5.237 -2.032 1.00 13.42 H new ATOM 0 HG22 ILE A 120 0.988 -5.929 -3.530 1.00 13.42 H new ATOM 0 HG23 ILE A 120 -0.470 -4.910 -3.593 1.00 13.42 H new ATOM 0 HD11 ILE A 120 -2.738 -5.818 -0.123 1.00 1.53 H new ATOM 0 HD12 ILE A 120 -1.239 -6.775 -0.052 1.00 1.53 H new ATOM 0 HD13 ILE A 120 -1.206 -5.113 -0.690 1.00 1.53 H new ATOM 1743 N GLY A 121 -1.096 -9.755 -3.435 1.00 61.11 N ATOM 1744 CA GLY A 121 -1.555 -11.092 -3.339 1.00 24.32 C ATOM 1745 C GLY A 121 -1.262 -11.867 -4.603 1.00 24.53 C ATOM 1746 O GLY A 121 -0.311 -12.637 -4.658 1.00 42.35 O ATOM 0 H GLY A 121 -0.205 -9.571 -2.973 1.00 61.11 H new ATOM 0 HA2 GLY A 121 -1.077 -11.582 -2.491 1.00 24.32 H new ATOM 0 HA3 GLY A 121 -2.628 -11.097 -3.148 1.00 24.32 H new ATOM 1750 N CYS A 122 -2.034 -11.603 -5.634 1.00 61.43 N ATOM 1751 CA CYS A 122 -2.006 -12.380 -6.870 1.00 33.44 C ATOM 1752 C CYS A 122 -0.726 -12.200 -7.718 1.00 73.00 C ATOM 1753 O CYS A 122 -0.558 -12.874 -8.743 1.00 35.25 O ATOM 1754 CB CYS A 122 -3.261 -12.091 -7.691 1.00 5.14 C ATOM 1755 SG CYS A 122 -3.512 -10.341 -8.068 1.00 22.32 S ATOM 0 H CYS A 122 -2.708 -10.837 -5.646 1.00 61.43 H new ATOM 0 HA CYS A 122 -1.990 -13.428 -6.570 1.00 33.44 H new ATOM 0 HB2 CYS A 122 -3.206 -12.649 -8.626 1.00 5.14 H new ATOM 0 HB3 CYS A 122 -4.130 -12.463 -7.149 1.00 5.14 H new ATOM 0 HG CYS A 122 -4.785 -10.097 -8.170 1.00 22.32 H new ATOM 1761 N GLY A 123 0.144 -11.306 -7.323 1.00 42.51 N ATOM 1762 CA GLY A 123 1.387 -11.135 -8.032 1.00 70.12 C ATOM 1763 C GLY A 123 2.510 -11.866 -7.331 1.00 2.33 C ATOM 1764 O GLY A 123 2.352 -13.025 -6.936 1.00 73.51 O ATOM 0 H GLY A 123 0.017 -10.689 -6.521 1.00 42.51 H new ATOM 0 HA2 GLY A 123 1.284 -11.509 -9.051 1.00 70.12 H new ATOM 0 HA3 GLY A 123 1.627 -10.074 -8.104 1.00 70.12 H new ATOM 1768 N LEU A 124 3.623 -11.179 -7.124 1.00 60.13 N ATOM 1769 CA LEU A 124 4.803 -11.746 -6.443 1.00 14.11 C ATOM 1770 C LEU A 124 4.514 -12.063 -4.982 1.00 60.25 C ATOM 1771 O LEU A 124 5.269 -12.773 -4.333 1.00 62.22 O ATOM 1772 CB LEU A 124 6.049 -10.837 -6.533 1.00 65.12 C ATOM 1773 CG LEU A 124 6.720 -10.635 -7.906 1.00 51.34 C ATOM 1774 CD1 LEU A 124 5.858 -9.847 -8.877 1.00 20.01 C ATOM 1775 CD2 LEU A 124 8.066 -9.977 -7.734 1.00 12.33 C ATOM 0 H LEU A 124 3.745 -10.210 -7.420 1.00 60.13 H new ATOM 0 HA LEU A 124 5.024 -12.671 -6.975 1.00 14.11 H new ATOM 0 HB2 LEU A 124 5.769 -9.854 -6.154 1.00 65.12 H new ATOM 0 HB3 LEU A 124 6.801 -11.238 -5.853 1.00 65.12 H new ATOM 0 HG LEU A 124 6.852 -11.624 -8.345 1.00 51.34 H new ATOM 0 HD11 LEU A 124 6.385 -9.738 -9.825 1.00 20.01 H new ATOM 0 HD12 LEU A 124 4.919 -10.376 -9.042 1.00 20.01 H new ATOM 0 HD13 LEU A 124 5.651 -8.861 -8.462 1.00 20.01 H new ATOM 0 HD21 LEU A 124 8.531 -9.839 -8.710 1.00 12.33 H new ATOM 0 HD22 LEU A 124 7.938 -9.007 -7.253 1.00 12.33 H new ATOM 0 HD23 LEU A 124 8.703 -10.608 -7.115 1.00 12.33 H new ATOM 1783 N ASP A 125 3.432 -11.505 -4.489 1.00 44.34 N ATOM 1784 CA ASP A 125 3.007 -11.634 -3.092 1.00 0.51 C ATOM 1785 C ASP A 125 2.574 -13.098 -2.786 1.00 41.21 C ATOM 1786 O ASP A 125 2.503 -13.501 -1.650 1.00 71.40 O ATOM 1787 CB ASP A 125 1.873 -10.647 -2.866 1.00 3.02 C ATOM 1788 CG ASP A 125 1.465 -10.440 -1.427 1.00 2.53 C ATOM 1789 OD1 ASP A 125 2.017 -9.511 -0.797 1.00 71.34 O ATOM 1790 OD2 ASP A 125 0.558 -11.128 -0.968 1.00 4.02 O ATOM 0 H ASP A 125 2.801 -10.934 -5.051 1.00 44.34 H new ATOM 0 HA ASP A 125 3.828 -11.407 -2.412 1.00 0.51 H new ATOM 0 HB2 ASP A 125 2.165 -9.684 -3.284 1.00 3.02 H new ATOM 0 HB3 ASP A 125 1.002 -10.987 -3.426 1.00 3.02 H new ATOM 1795 N ARG A 126 2.295 -13.871 -3.865 1.00 44.45 N ATOM 1796 CA ARG A 126 2.031 -15.336 -3.805 1.00 70.33 C ATOM 1797 C ARG A 126 0.684 -15.743 -3.192 1.00 35.34 C ATOM 1798 O ARG A 126 0.459 -16.931 -2.920 1.00 44.23 O ATOM 1799 CB ARG A 126 3.147 -16.060 -3.076 1.00 13.40 C ATOM 1800 CG ARG A 126 4.502 -15.928 -3.723 1.00 10.42 C ATOM 1801 CD ARG A 126 5.490 -16.694 -2.925 1.00 73.54 C ATOM 1802 NE ARG A 126 6.869 -16.571 -3.424 1.00 72.30 N ATOM 1803 CZ ARG A 126 7.827 -17.490 -3.238 1.00 53.13 C ATOM 1804 NH1 ARG A 126 7.543 -18.636 -2.629 1.00 55.21 N ATOM 1805 NH2 ARG A 126 9.053 -17.269 -3.675 1.00 1.31 N ATOM 0 H ARG A 126 2.246 -13.494 -4.812 1.00 44.45 H new ATOM 0 HA ARG A 126 1.987 -15.636 -4.852 1.00 70.33 H new ATOM 0 HB2 ARG A 126 3.206 -15.678 -2.057 1.00 13.40 H new ATOM 0 HB3 ARG A 126 2.893 -17.118 -3.006 1.00 13.40 H new ATOM 0 HG2 ARG A 126 4.470 -16.304 -4.746 1.00 10.42 H new ATOM 0 HG3 ARG A 126 4.793 -14.879 -3.778 1.00 10.42 H new ATOM 0 HD2 ARG A 126 5.454 -16.351 -1.891 1.00 73.54 H new ATOM 0 HD3 ARG A 126 5.206 -17.746 -2.922 1.00 73.54 H new ATOM 0 HE ARG A 126 7.112 -15.730 -3.947 1.00 72.30 H new ATOM 0 HH11 ARG A 126 6.594 -18.818 -2.302 1.00 55.21 H new ATOM 0 HH12 ARG A 126 8.274 -19.334 -2.489 1.00 55.21 H new ATOM 0 HH21 ARG A 126 9.274 -16.397 -4.156 1.00 1.31 H new ATOM 0 HH22 ARG A 126 9.780 -17.970 -3.532 1.00 1.31 H new ATOM 1817 N LEU A 127 -0.222 -14.823 -3.035 1.00 1.04 N ATOM 1818 CA LEU A 127 -1.493 -15.131 -2.392 1.00 34.35 C ATOM 1819 C LEU A 127 -2.667 -14.942 -3.346 1.00 51.54 C ATOM 1820 O LEU A 127 -2.485 -14.620 -4.517 1.00 44.13 O ATOM 1821 CB LEU A 127 -1.680 -14.289 -1.121 1.00 50.14 C ATOM 1822 CG LEU A 127 -0.642 -14.499 -0.010 1.00 52.11 C ATOM 1823 CD1 LEU A 127 -0.920 -13.579 1.162 1.00 44.33 C ATOM 1824 CD2 LEU A 127 -0.631 -15.952 0.448 1.00 54.51 C ATOM 0 H LEU A 127 -0.118 -13.854 -3.337 1.00 1.04 H new ATOM 0 HA LEU A 127 -1.470 -16.183 -2.107 1.00 34.35 H new ATOM 0 HB2 LEU A 127 -1.671 -13.236 -1.403 1.00 50.14 H new ATOM 0 HB3 LEU A 127 -2.668 -14.501 -0.712 1.00 50.14 H new ATOM 0 HG LEU A 127 0.341 -14.257 -0.414 1.00 52.11 H new ATOM 0 HD11 LEU A 127 -0.173 -13.743 1.939 1.00 44.33 H new ATOM 0 HD12 LEU A 127 -0.875 -12.542 0.829 1.00 44.33 H new ATOM 0 HD13 LEU A 127 -1.912 -13.789 1.562 1.00 44.33 H new ATOM 0 HD21 LEU A 127 0.112 -16.080 1.236 1.00 54.51 H new ATOM 0 HD22 LEU A 127 -1.616 -16.220 0.831 1.00 54.51 H new ATOM 0 HD23 LEU A 127 -0.381 -16.597 -0.394 1.00 54.51 H new ATOM 1832 N GLN A 128 -3.862 -15.201 -2.866 1.00 43.44 N ATOM 1833 CA GLN A 128 -5.054 -14.994 -3.664 1.00 42.11 C ATOM 1834 C GLN A 128 -5.689 -13.667 -3.305 1.00 32.24 C ATOM 1835 O GLN A 128 -6.059 -13.450 -2.137 1.00 71.25 O ATOM 1836 CB GLN A 128 -6.083 -16.122 -3.476 1.00 24.41 C ATOM 1837 CG GLN A 128 -5.711 -17.499 -4.017 1.00 72.33 C ATOM 1838 CD GLN A 128 -4.513 -18.146 -3.342 1.00 52.43 C ATOM 1839 OE1 GLN A 128 -3.365 -17.973 -3.769 1.00 64.14 O ATOM 1840 NE2 GLN A 128 -4.764 -18.886 -2.302 1.00 11.03 N ATOM 0 H GLN A 128 -4.037 -15.556 -1.926 1.00 43.44 H new ATOM 0 HA GLN A 128 -4.748 -14.994 -4.710 1.00 42.11 H new ATOM 0 HB2 GLN A 128 -6.285 -16.221 -2.410 1.00 24.41 H new ATOM 0 HB3 GLN A 128 -7.015 -15.813 -3.950 1.00 24.41 H new ATOM 0 HG2 GLN A 128 -6.571 -18.160 -3.911 1.00 72.33 H new ATOM 0 HG3 GLN A 128 -5.506 -17.412 -5.084 1.00 72.33 H new ATOM 0 HE21 GLN A 128 -5.725 -19.004 -1.980 1.00 11.03 H new ATOM 0 HE22 GLN A 128 -4.000 -19.348 -1.808 1.00 11.03 H new ATOM 1848 N TRP A 129 -5.847 -12.802 -4.291 1.00 31.12 N ATOM 1849 CA TRP A 129 -6.424 -11.464 -4.091 1.00 1.04 C ATOM 1850 C TRP A 129 -7.837 -11.513 -3.556 1.00 62.42 C ATOM 1851 O TRP A 129 -8.223 -10.649 -2.787 1.00 70.02 O ATOM 1852 CB TRP A 129 -6.314 -10.586 -5.364 1.00 73.11 C ATOM 1853 CG TRP A 129 -7.038 -9.255 -5.270 1.00 33.40 C ATOM 1854 CD1 TRP A 129 -8.257 -8.956 -5.805 1.00 71.32 C ATOM 1855 CD2 TRP A 129 -6.603 -8.066 -4.589 1.00 34.20 C ATOM 1856 NE1 TRP A 129 -8.605 -7.664 -5.502 1.00 65.04 N ATOM 1857 CE2 TRP A 129 -7.611 -7.094 -4.760 1.00 64.55 C ATOM 1858 CE3 TRP A 129 -5.473 -7.729 -3.859 1.00 14.44 C ATOM 1859 CZ2 TRP A 129 -7.513 -5.808 -4.220 1.00 62.03 C ATOM 1860 CZ3 TRP A 129 -5.379 -6.459 -3.328 1.00 65.50 C ATOM 1861 CH2 TRP A 129 -6.391 -5.515 -3.508 1.00 40.11 C ATOM 0 H TRP A 129 -5.582 -12.997 -5.256 1.00 31.12 H new ATOM 0 HA TRP A 129 -5.821 -10.984 -3.320 1.00 1.04 H new ATOM 0 HB2 TRP A 129 -5.261 -10.399 -5.572 1.00 73.11 H new ATOM 0 HB3 TRP A 129 -6.712 -11.144 -6.211 1.00 73.11 H new ATOM 0 HD1 TRP A 129 -8.861 -9.639 -6.384 1.00 71.32 H new ATOM 0 HE1 TRP A 129 -9.469 -7.203 -5.786 1.00 65.04 H new ATOM 0 HE3 TRP A 129 -4.681 -8.448 -3.709 1.00 14.44 H new ATOM 0 HZ2 TRP A 129 -8.296 -5.077 -4.362 1.00 62.03 H new ATOM 0 HZ3 TRP A 129 -4.501 -6.189 -2.759 1.00 65.50 H new ATOM 0 HH2 TRP A 129 -6.281 -4.532 -3.074 1.00 40.11 H new ATOM 1872 N GLU A 130 -8.583 -12.530 -3.936 1.00 73.12 N ATOM 1873 CA GLU A 130 -9.953 -12.703 -3.476 1.00 11.15 C ATOM 1874 C GLU A 130 -10.021 -12.620 -1.943 1.00 71.40 C ATOM 1875 O GLU A 130 -10.864 -11.915 -1.383 1.00 13.11 O ATOM 1876 CB GLU A 130 -10.483 -14.042 -3.957 1.00 13.44 C ATOM 1877 CG GLU A 130 -11.922 -14.322 -3.586 1.00 25.44 C ATOM 1878 CD GLU A 130 -12.388 -15.649 -4.103 1.00 2.21 C ATOM 1879 OE1 GLU A 130 -12.224 -16.662 -3.395 1.00 54.23 O ATOM 1880 OE2 GLU A 130 -12.927 -15.702 -5.237 1.00 61.44 O ATOM 0 H GLU A 130 -8.261 -13.261 -4.571 1.00 73.12 H new ATOM 0 HA GLU A 130 -10.570 -11.904 -3.887 1.00 11.15 H new ATOM 0 HB2 GLU A 130 -10.386 -14.087 -5.042 1.00 13.44 H new ATOM 0 HB3 GLU A 130 -9.856 -14.834 -3.548 1.00 13.44 H new ATOM 0 HG2 GLU A 130 -12.028 -14.298 -2.501 1.00 25.44 H new ATOM 0 HG3 GLU A 130 -12.559 -13.533 -3.986 1.00 25.44 H new ATOM 1887 N ASN A 131 -9.116 -13.329 -1.286 1.00 22.10 N ATOM 1888 CA ASN A 131 -9.054 -13.333 0.179 1.00 42.11 C ATOM 1889 C ASN A 131 -8.431 -12.046 0.680 1.00 33.20 C ATOM 1890 O ASN A 131 -8.927 -11.437 1.612 1.00 42.32 O ATOM 1891 CB ASN A 131 -8.221 -14.497 0.700 1.00 4.43 C ATOM 1892 CG ASN A 131 -8.603 -15.807 0.100 1.00 13.34 C ATOM 1893 OD1 ASN A 131 -7.934 -16.155 -0.955 1.00 33.31 O flip ATOM 1894 ND2 ASN A 131 -9.474 -16.510 0.592 1.00 53.23 N flip ATOM 0 H ASN A 131 -8.411 -13.911 -1.739 1.00 22.10 H new ATOM 0 HA ASN A 131 -10.077 -13.431 0.543 1.00 42.11 H new ATOM 0 HB2 ASN A 131 -7.168 -14.303 0.494 1.00 4.43 H new ATOM 0 HB3 ASN A 131 -8.328 -14.556 1.783 1.00 4.43 H new ATOM 0 HD21 ASN A 131 -9.975 -16.195 1.423 1.00 53.23 H new ATOM 0 HD22 ASN A 131 -9.700 -17.411 0.171 1.00 53.23 H new ATOM 1900 N VAL A 132 -7.320 -11.637 0.032 1.00 21.42 N ATOM 1901 CA VAL A 132 -6.569 -10.431 0.432 1.00 14.13 C ATOM 1902 C VAL A 132 -7.478 -9.217 0.463 1.00 14.23 C ATOM 1903 O VAL A 132 -7.589 -8.550 1.481 1.00 13.42 O ATOM 1904 CB VAL A 132 -5.365 -10.136 -0.519 1.00 24.44 C ATOM 1905 CG1 VAL A 132 -4.638 -8.870 -0.096 1.00 24.13 C ATOM 1906 CG2 VAL A 132 -4.393 -11.300 -0.557 1.00 74.25 C ATOM 0 H VAL A 132 -6.924 -12.126 -0.771 1.00 21.42 H new ATOM 0 HA VAL A 132 -6.177 -10.631 1.429 1.00 14.13 H new ATOM 0 HB VAL A 132 -5.770 -9.993 -1.521 1.00 24.44 H new ATOM 0 HG11 VAL A 132 -3.804 -8.686 -0.773 1.00 24.13 H new ATOM 0 HG12 VAL A 132 -5.327 -8.026 -0.131 1.00 24.13 H new ATOM 0 HG13 VAL A 132 -4.261 -8.989 0.920 1.00 24.13 H new ATOM 0 HG21 VAL A 132 -3.567 -11.063 -1.228 1.00 74.25 H new ATOM 0 HG22 VAL A 132 -4.006 -11.483 0.445 1.00 74.25 H new ATOM 0 HG23 VAL A 132 -4.907 -12.192 -0.916 1.00 74.25 H new ATOM 1912 N SER A 133 -8.135 -8.974 -0.649 1.00 74.51 N ATOM 1913 CA SER A 133 -9.035 -7.859 -0.826 1.00 34.23 C ATOM 1914 C SER A 133 -10.110 -7.852 0.259 1.00 35.35 C ATOM 1915 O SER A 133 -10.330 -6.833 0.920 1.00 12.23 O ATOM 1916 CB SER A 133 -9.654 -7.953 -2.226 1.00 53.41 C ATOM 1917 OG SER A 133 -10.618 -6.951 -2.469 1.00 42.41 O ATOM 0 H SER A 133 -8.055 -9.564 -1.477 1.00 74.51 H new ATOM 0 HA SER A 133 -8.487 -6.921 -0.736 1.00 34.23 H new ATOM 0 HB2 SER A 133 -8.864 -7.878 -2.973 1.00 53.41 H new ATOM 0 HB3 SER A 133 -10.117 -8.932 -2.348 1.00 53.41 H new ATOM 0 HG SER A 133 -10.645 -6.749 -3.428 1.00 42.41 H new ATOM 1923 N ALA A 134 -10.727 -9.000 0.476 1.00 1.34 N ATOM 1924 CA ALA A 134 -11.771 -9.129 1.468 1.00 32.53 C ATOM 1925 C ALA A 134 -11.222 -8.876 2.872 1.00 43.32 C ATOM 1926 O ALA A 134 -11.882 -8.272 3.699 1.00 44.13 O ATOM 1927 CB ALA A 134 -12.428 -10.490 1.372 1.00 3.23 C ATOM 0 H ALA A 134 -10.518 -9.862 -0.028 1.00 1.34 H new ATOM 0 HA ALA A 134 -12.531 -8.373 1.270 1.00 32.53 H new ATOM 0 HB1 ALA A 134 -13.211 -10.570 2.126 1.00 3.23 H new ATOM 0 HB2 ALA A 134 -12.864 -10.614 0.381 1.00 3.23 H new ATOM 0 HB3 ALA A 134 -11.682 -11.267 1.540 1.00 3.23 H new ATOM 1933 N MET A 135 -10.005 -9.321 3.125 1.00 4.33 N ATOM 1934 CA MET A 135 -9.384 -9.101 4.417 1.00 33.11 C ATOM 1935 C MET A 135 -9.039 -7.624 4.600 1.00 23.04 C ATOM 1936 O MET A 135 -9.188 -7.083 5.688 1.00 3.53 O ATOM 1937 CB MET A 135 -8.148 -9.988 4.606 1.00 12.13 C ATOM 1938 CG MET A 135 -7.501 -9.860 5.982 1.00 74.05 C ATOM 1939 SD MET A 135 -6.123 -11.007 6.233 1.00 44.35 S ATOM 1940 CE MET A 135 -4.987 -10.475 4.954 1.00 61.00 C ATOM 0 H MET A 135 -9.430 -9.834 2.457 1.00 4.33 H new ATOM 0 HA MET A 135 -10.102 -9.382 5.187 1.00 33.11 H new ATOM 0 HB2 MET A 135 -8.431 -11.028 4.443 1.00 12.13 H new ATOM 0 HB3 MET A 135 -7.411 -9.735 3.844 1.00 12.13 H new ATOM 0 HG2 MET A 135 -7.144 -8.839 6.115 1.00 74.05 H new ATOM 0 HG3 MET A 135 -8.256 -10.036 6.749 1.00 74.05 H new ATOM 0 HE1 MET A 135 -4.041 -11.006 5.064 1.00 61.00 H new ATOM 0 HE2 MET A 135 -5.414 -10.693 3.975 1.00 61.00 H new ATOM 0 HE3 MET A 135 -4.814 -9.403 5.044 1.00 61.00 H new ATOM 1950 N ILE A 136 -8.598 -6.975 3.523 1.00 21.52 N ATOM 1951 CA ILE A 136 -8.283 -5.555 3.542 1.00 53.32 C ATOM 1952 C ILE A 136 -9.523 -4.749 3.918 1.00 42.04 C ATOM 1953 O ILE A 136 -9.479 -3.903 4.821 1.00 62.45 O ATOM 1954 CB ILE A 136 -7.735 -5.061 2.169 1.00 71.51 C ATOM 1955 CG1 ILE A 136 -6.410 -5.752 1.821 1.00 35.11 C ATOM 1956 CG2 ILE A 136 -7.554 -3.557 2.174 1.00 61.50 C ATOM 1957 CD1 ILE A 136 -5.828 -5.343 0.479 1.00 24.43 C ATOM 0 H ILE A 136 -8.451 -7.421 2.618 1.00 21.52 H new ATOM 0 HA ILE A 136 -7.503 -5.404 4.288 1.00 53.32 H new ATOM 0 HB ILE A 136 -8.468 -5.323 1.406 1.00 71.51 H new ATOM 0 HG12 ILE A 136 -5.682 -5.532 2.602 1.00 35.11 H new ATOM 0 HG13 ILE A 136 -6.564 -6.831 1.824 1.00 35.11 H new ATOM 0 HG21 ILE A 136 -7.171 -3.233 1.206 1.00 61.50 H new ATOM 0 HG22 ILE A 136 -8.513 -3.076 2.364 1.00 61.50 H new ATOM 0 HG23 ILE A 136 -6.847 -3.278 2.956 1.00 61.50 H new ATOM 0 HD11 ILE A 136 -4.893 -5.877 0.310 1.00 24.43 H new ATOM 0 HD12 ILE A 136 -6.534 -5.589 -0.314 1.00 24.43 H new ATOM 0 HD13 ILE A 136 -5.639 -4.270 0.476 1.00 24.43 H new ATOM 1964 N GLU A 137 -10.632 -5.035 3.257 1.00 54.53 N ATOM 1965 CA GLU A 137 -11.870 -4.346 3.549 1.00 70.00 C ATOM 1966 C GLU A 137 -12.371 -4.623 4.979 1.00 43.15 C ATOM 1967 O GLU A 137 -13.035 -3.779 5.579 1.00 70.05 O ATOM 1968 CB GLU A 137 -12.945 -4.569 2.475 1.00 23.20 C ATOM 1969 CG GLU A 137 -13.227 -6.003 2.139 1.00 42.12 C ATOM 1970 CD GLU A 137 -14.391 -6.155 1.207 1.00 44.32 C ATOM 1971 OE1 GLU A 137 -14.196 -6.103 -0.004 1.00 54.10 O ATOM 1972 OE2 GLU A 137 -15.540 -6.306 1.687 1.00 12.32 O ATOM 0 H GLU A 137 -10.697 -5.736 2.519 1.00 54.53 H new ATOM 0 HA GLU A 137 -11.645 -3.280 3.513 1.00 70.00 H new ATOM 0 HB2 GLU A 137 -13.872 -4.102 2.809 1.00 23.20 H new ATOM 0 HB3 GLU A 137 -12.639 -4.053 1.565 1.00 23.20 H new ATOM 0 HG2 GLU A 137 -12.341 -6.448 1.685 1.00 42.12 H new ATOM 0 HG3 GLU A 137 -13.426 -6.556 3.057 1.00 42.12 H new ATOM 1979 N GLU A 138 -12.048 -5.799 5.519 1.00 41.44 N ATOM 1980 CA GLU A 138 -12.381 -6.121 6.916 1.00 13.03 C ATOM 1981 C GLU A 138 -11.535 -5.300 7.887 1.00 74.52 C ATOM 1982 O GLU A 138 -11.960 -4.986 8.988 1.00 5.43 O ATOM 1983 CB GLU A 138 -12.178 -7.600 7.232 1.00 54.32 C ATOM 1984 CG GLU A 138 -13.061 -8.544 6.474 1.00 14.33 C ATOM 1985 CD GLU A 138 -12.842 -9.970 6.896 1.00 72.35 C ATOM 1986 OE1 GLU A 138 -13.494 -10.413 7.851 1.00 41.21 O ATOM 1987 OE2 GLU A 138 -12.028 -10.681 6.270 1.00 43.13 O ATOM 0 H GLU A 138 -11.560 -6.542 5.019 1.00 41.44 H new ATOM 0 HA GLU A 138 -13.436 -5.875 7.039 1.00 13.03 H new ATOM 0 HB2 GLU A 138 -11.139 -7.859 7.029 1.00 54.32 H new ATOM 0 HB3 GLU A 138 -12.342 -7.752 8.299 1.00 54.32 H new ATOM 0 HG2 GLU A 138 -14.105 -8.273 6.634 1.00 14.33 H new ATOM 0 HG3 GLU A 138 -12.866 -8.446 5.406 1.00 14.33 H new ATOM 1994 N VAL A 139 -10.327 -5.005 7.494 1.00 61.42 N ATOM 1995 CA VAL A 139 -9.408 -4.239 8.323 1.00 12.23 C ATOM 1996 C VAL A 139 -9.775 -2.742 8.370 1.00 73.40 C ATOM 1997 O VAL A 139 -9.733 -2.107 9.431 1.00 51.34 O ATOM 1998 CB VAL A 139 -7.929 -4.434 7.846 1.00 25.13 C ATOM 1999 CG1 VAL A 139 -6.979 -3.524 8.597 1.00 14.33 C ATOM 2000 CG2 VAL A 139 -7.499 -5.884 8.023 1.00 53.11 C ATOM 0 H VAL A 139 -9.942 -5.284 6.592 1.00 61.42 H new ATOM 0 HA VAL A 139 -9.498 -4.624 9.339 1.00 12.23 H new ATOM 0 HB VAL A 139 -7.889 -4.172 6.789 1.00 25.13 H new ATOM 0 HG11 VAL A 139 -5.962 -3.686 8.240 1.00 14.33 H new ATOM 0 HG12 VAL A 139 -7.261 -2.485 8.429 1.00 14.33 H new ATOM 0 HG13 VAL A 139 -7.029 -3.746 9.663 1.00 14.33 H new ATOM 0 HG21 VAL A 139 -6.469 -6.002 7.687 1.00 53.11 H new ATOM 0 HG22 VAL A 139 -7.571 -6.159 9.075 1.00 53.11 H new ATOM 0 HG23 VAL A 139 -8.149 -6.531 7.434 1.00 53.11 H new ATOM 2006 N PHE A 140 -10.134 -2.193 7.238 1.00 4.43 N ATOM 2007 CA PHE A 140 -10.415 -0.759 7.137 1.00 43.23 C ATOM 2008 C PHE A 140 -11.911 -0.406 7.241 1.00 21.11 C ATOM 2009 O PHE A 140 -12.285 0.755 7.053 1.00 51.43 O ATOM 2010 CB PHE A 140 -9.818 -0.194 5.839 1.00 24.40 C ATOM 2011 CG PHE A 140 -8.312 -0.249 5.795 1.00 74.41 C ATOM 2012 CD1 PHE A 140 -7.648 -1.405 5.410 1.00 24.54 C ATOM 2013 CD2 PHE A 140 -7.564 0.854 6.147 1.00 44.02 C ATOM 2014 CE1 PHE A 140 -6.270 -1.450 5.379 1.00 3.14 C ATOM 2015 CE2 PHE A 140 -6.188 0.816 6.119 1.00 65.22 C ATOM 2016 CZ PHE A 140 -5.539 -0.337 5.736 1.00 61.33 C ATOM 0 H PHE A 140 -10.243 -2.707 6.364 1.00 4.43 H new ATOM 0 HA PHE A 140 -9.939 -0.293 8.000 1.00 43.23 H new ATOM 0 HB2 PHE A 140 -10.219 -0.751 4.992 1.00 24.40 H new ATOM 0 HB3 PHE A 140 -10.139 0.841 5.721 1.00 24.40 H new ATOM 0 HD1 PHE A 140 -8.217 -2.280 5.131 1.00 24.54 H new ATOM 0 HD2 PHE A 140 -8.065 1.762 6.449 1.00 44.02 H new ATOM 0 HE1 PHE A 140 -5.765 -2.355 5.076 1.00 3.14 H new ATOM 0 HE2 PHE A 140 -5.618 1.690 6.397 1.00 65.22 H new ATOM 0 HZ PHE A 140 -4.460 -0.369 5.715 1.00 61.33 H new ATOM 2026 N GLU A 141 -12.745 -1.370 7.601 1.00 62.45 N ATOM 2027 CA GLU A 141 -14.207 -1.164 7.620 1.00 0.35 C ATOM 2028 C GLU A 141 -14.715 -0.030 8.519 1.00 74.32 C ATOM 2029 O GLU A 141 -15.699 0.638 8.190 1.00 42.03 O ATOM 2030 CB GLU A 141 -14.995 -2.485 7.810 1.00 14.22 C ATOM 2031 CG GLU A 141 -14.592 -3.375 8.993 1.00 22.21 C ATOM 2032 CD GLU A 141 -14.793 -2.768 10.351 1.00 75.42 C ATOM 2033 OE1 GLU A 141 -15.937 -2.740 10.836 1.00 44.13 O ATOM 2034 OE2 GLU A 141 -13.801 -2.347 10.973 1.00 73.13 O ATOM 0 H GLU A 141 -12.448 -2.303 7.885 1.00 62.45 H new ATOM 0 HA GLU A 141 -14.424 -0.800 6.616 1.00 0.35 H new ATOM 0 HB2 GLU A 141 -16.051 -2.237 7.918 1.00 14.22 H new ATOM 0 HB3 GLU A 141 -14.897 -3.072 6.897 1.00 14.22 H new ATOM 0 HG2 GLU A 141 -15.163 -4.302 8.940 1.00 22.21 H new ATOM 0 HG3 GLU A 141 -13.541 -3.641 8.884 1.00 22.21 H new ATOM 2041 N ALA A 142 -14.045 0.198 9.607 1.00 62.21 N ATOM 2042 CA ALA A 142 -14.466 1.207 10.565 1.00 61.20 C ATOM 2043 C ALA A 142 -13.681 2.491 10.408 1.00 64.43 C ATOM 2044 O ALA A 142 -13.725 3.362 11.272 1.00 63.41 O ATOM 2045 CB ALA A 142 -14.319 0.678 11.980 1.00 60.15 C ATOM 0 H ALA A 142 -13.194 -0.300 9.867 1.00 62.21 H new ATOM 0 HA ALA A 142 -15.514 1.432 10.369 1.00 61.20 H new ATOM 0 HB1 ALA A 142 -14.637 1.442 12.689 1.00 60.15 H new ATOM 0 HB2 ALA A 142 -14.938 -0.211 12.102 1.00 60.15 H new ATOM 0 HB3 ALA A 142 -13.276 0.422 12.166 1.00 60.15 H new ATOM 2051 N THR A 143 -12.969 2.622 9.324 1.00 53.33 N ATOM 2052 CA THR A 143 -12.191 3.806 9.119 1.00 3.20 C ATOM 2053 C THR A 143 -12.709 4.597 7.931 1.00 43.31 C ATOM 2054 O THR A 143 -13.484 4.079 7.124 1.00 75.11 O ATOM 2055 CB THR A 143 -10.688 3.490 8.939 1.00 0.43 C ATOM 2056 OG1 THR A 143 -10.489 2.626 7.816 1.00 24.15 O ATOM 2057 CG2 THR A 143 -10.122 2.824 10.184 1.00 62.12 C ATOM 0 H THR A 143 -12.912 1.930 8.577 1.00 53.33 H new ATOM 0 HA THR A 143 -12.295 4.413 10.018 1.00 3.20 H new ATOM 0 HB THR A 143 -10.169 4.433 8.770 1.00 0.43 H new ATOM 0 HG1 THR A 143 -11.195 1.946 7.797 1.00 24.15 H new ATOM 0 HG21 THR A 143 -9.064 2.611 10.034 1.00 62.12 H new ATOM 0 HG22 THR A 143 -10.240 3.490 11.039 1.00 62.12 H new ATOM 0 HG23 THR A 143 -10.656 1.893 10.373 1.00 62.12 H new ATOM 2063 N ASP A 144 -12.289 5.839 7.821 1.00 11.44 N ATOM 2064 CA ASP A 144 -12.697 6.691 6.702 1.00 54.21 C ATOM 2065 C ASP A 144 -11.729 6.534 5.563 1.00 3.50 C ATOM 2066 O ASP A 144 -11.882 7.148 4.520 1.00 55.24 O ATOM 2067 CB ASP A 144 -12.764 8.170 7.105 1.00 54.21 C ATOM 2068 CG ASP A 144 -13.718 8.435 8.238 1.00 41.14 C ATOM 2069 OD1 ASP A 144 -14.945 8.352 8.030 1.00 74.22 O ATOM 2070 OD2 ASP A 144 -13.250 8.747 9.358 1.00 65.41 O ATOM 0 H ASP A 144 -11.664 6.290 8.489 1.00 11.44 H new ATOM 0 HA ASP A 144 -13.695 6.376 6.397 1.00 54.21 H new ATOM 0 HB2 ASP A 144 -11.768 8.507 7.392 1.00 54.21 H new ATOM 0 HB3 ASP A 144 -13.064 8.762 6.240 1.00 54.21 H new ATOM 2075 N ILE A 145 -10.727 5.704 5.784 1.00 1.02 N ATOM 2076 CA ILE A 145 -9.706 5.432 4.804 1.00 3.31 C ATOM 2077 C ILE A 145 -10.348 4.767 3.603 1.00 12.32 C ATOM 2078 O ILE A 145 -10.967 3.703 3.719 1.00 73.13 O ATOM 2079 CB ILE A 145 -8.622 4.504 5.404 1.00 2.41 C ATOM 2080 CG1 ILE A 145 -8.033 5.153 6.662 1.00 2.02 C ATOM 2081 CG2 ILE A 145 -7.521 4.229 4.376 1.00 43.10 C ATOM 2082 CD1 ILE A 145 -7.056 4.278 7.416 1.00 2.12 C ATOM 0 H ILE A 145 -10.603 5.197 6.660 1.00 1.02 H new ATOM 0 HA ILE A 145 -9.231 6.366 4.502 1.00 3.31 H new ATOM 0 HB ILE A 145 -9.077 3.551 5.673 1.00 2.41 H new ATOM 0 HG12 ILE A 145 -7.530 6.077 6.378 1.00 2.02 H new ATOM 0 HG13 ILE A 145 -8.849 5.427 7.331 1.00 2.02 H new ATOM 0 HG21 ILE A 145 -6.768 3.575 4.816 1.00 43.10 H new ATOM 0 HG22 ILE A 145 -7.954 3.746 3.500 1.00 43.10 H new ATOM 0 HG23 ILE A 145 -7.057 5.170 4.080 1.00 43.10 H new ATOM 0 HD11 ILE A 145 -6.688 4.814 8.291 1.00 2.12 H new ATOM 0 HD12 ILE A 145 -7.557 3.364 7.734 1.00 2.12 H new ATOM 0 HD13 ILE A 145 -6.218 4.025 6.767 1.00 2.12 H new ATOM 2089 N LYS A 146 -10.219 5.391 2.477 1.00 62.54 N ATOM 2090 CA LYS A 146 -10.841 4.907 1.293 1.00 1.21 C ATOM 2091 C LYS A 146 -9.742 4.367 0.397 1.00 11.14 C ATOM 2092 O LYS A 146 -8.777 5.077 0.077 1.00 54.41 O ATOM 2093 CB LYS A 146 -11.608 6.054 0.622 1.00 2.44 C ATOM 2094 CG LYS A 146 -12.851 5.641 -0.193 1.00 14.30 C ATOM 2095 CD LYS A 146 -12.543 4.759 -1.390 1.00 30.24 C ATOM 2096 CE LYS A 146 -11.712 5.480 -2.421 1.00 74.31 C ATOM 2097 NZ LYS A 146 -11.456 4.627 -3.582 1.00 45.15 N ATOM 0 H LYS A 146 -9.680 6.248 2.355 1.00 62.54 H new ATOM 0 HA LYS A 146 -11.558 4.114 1.505 1.00 1.21 H new ATOM 0 HB2 LYS A 146 -11.920 6.758 1.393 1.00 2.44 H new ATOM 0 HB3 LYS A 146 -10.924 6.587 -0.038 1.00 2.44 H new ATOM 0 HG2 LYS A 146 -13.544 5.115 0.463 1.00 14.30 H new ATOM 0 HG3 LYS A 146 -13.360 6.540 -0.539 1.00 14.30 H new ATOM 0 HD2 LYS A 146 -12.014 3.866 -1.057 1.00 30.24 H new ATOM 0 HD3 LYS A 146 -13.476 4.425 -1.844 1.00 30.24 H new ATOM 0 HE2 LYS A 146 -12.227 6.387 -2.739 1.00 74.31 H new ATOM 0 HE3 LYS A 146 -10.766 5.790 -1.978 1.00 74.31 H new ATOM 0 HZ1 LYS A 146 -10.677 5.028 -4.142 1.00 45.15 H new ATOM 0 HZ2 LYS A 146 -11.196 3.672 -3.261 1.00 45.15 H new ATOM 0 HZ3 LYS A 146 -12.313 4.574 -4.169 1.00 45.15 H new ATOM 2111 N ILE A 147 -9.882 3.141 0.008 1.00 55.14 N ATOM 2112 CA ILE A 147 -8.873 2.450 -0.737 1.00 43.45 C ATOM 2113 C ILE A 147 -9.173 2.388 -2.231 1.00 63.22 C ATOM 2114 O ILE A 147 -10.320 2.189 -2.657 1.00 14.42 O ATOM 2115 CB ILE A 147 -8.638 1.047 -0.119 1.00 34.44 C ATOM 2116 CG1 ILE A 147 -7.912 1.227 1.221 1.00 40.43 C ATOM 2117 CG2 ILE A 147 -7.881 0.120 -1.054 1.00 71.54 C ATOM 2118 CD1 ILE A 147 -7.655 -0.030 2.003 1.00 52.41 C ATOM 0 H ILE A 147 -10.712 2.581 0.201 1.00 55.14 H new ATOM 0 HA ILE A 147 -7.948 3.021 -0.662 1.00 43.45 H new ATOM 0 HB ILE A 147 -9.601 0.564 0.046 1.00 34.44 H new ATOM 0 HG12 ILE A 147 -6.956 1.716 1.031 1.00 40.43 H new ATOM 0 HG13 ILE A 147 -8.499 1.904 1.842 1.00 40.43 H new ATOM 0 HG21 ILE A 147 -7.743 -0.848 -0.573 1.00 71.54 H new ATOM 0 HG22 ILE A 147 -8.448 -0.010 -1.976 1.00 71.54 H new ATOM 0 HG23 ILE A 147 -6.907 0.552 -1.285 1.00 71.54 H new ATOM 0 HD11 ILE A 147 -7.138 0.218 2.930 1.00 52.41 H new ATOM 0 HD12 ILE A 147 -8.603 -0.515 2.235 1.00 52.41 H new ATOM 0 HD13 ILE A 147 -7.037 -0.706 1.412 1.00 52.41 H new ATOM 2125 N THR A 148 -8.155 2.611 -3.015 1.00 14.42 N ATOM 2126 CA THR A 148 -8.261 2.563 -4.445 1.00 12.43 C ATOM 2127 C THR A 148 -7.159 1.654 -4.990 1.00 13.43 C ATOM 2128 O THR A 148 -5.981 1.868 -4.696 1.00 63.11 O ATOM 2129 CB THR A 148 -8.070 3.977 -5.044 1.00 61.12 C ATOM 2130 OG1 THR A 148 -8.905 4.909 -4.347 1.00 23.24 O ATOM 2131 CG2 THR A 148 -8.455 3.991 -6.510 1.00 44.03 C ATOM 0 H THR A 148 -7.219 2.833 -2.675 1.00 14.42 H new ATOM 0 HA THR A 148 -9.246 2.184 -4.717 1.00 12.43 H new ATOM 0 HB THR A 148 -7.021 4.254 -4.942 1.00 61.12 H new ATOM 0 HG1 THR A 148 -9.139 5.649 -4.945 1.00 23.24 H new ATOM 0 HG21 THR A 148 -8.314 4.994 -6.914 1.00 44.03 H new ATOM 0 HG22 THR A 148 -7.828 3.288 -7.058 1.00 44.03 H new ATOM 0 HG23 THR A 148 -9.501 3.702 -6.614 1.00 44.03 H new ATOM 2137 N VAL A 149 -7.522 0.639 -5.746 1.00 73.34 N ATOM 2138 CA VAL A 149 -6.511 -0.208 -6.331 1.00 51.15 C ATOM 2139 C VAL A 149 -6.439 0.080 -7.808 1.00 62.42 C ATOM 2140 O VAL A 149 -7.480 0.218 -8.485 1.00 43.24 O ATOM 2141 CB VAL A 149 -6.729 -1.754 -6.094 1.00 13.25 C ATOM 2142 CG1 VAL A 149 -7.034 -2.067 -4.647 1.00 51.12 C ATOM 2143 CG2 VAL A 149 -7.740 -2.393 -7.050 1.00 4.51 C ATOM 0 H VAL A 149 -8.486 0.386 -5.965 1.00 73.34 H new ATOM 0 HA VAL A 149 -5.574 0.030 -5.828 1.00 51.15 H new ATOM 0 HB VAL A 149 -5.774 -2.222 -6.335 1.00 13.25 H new ATOM 0 HG11 VAL A 149 -7.177 -3.141 -4.529 1.00 51.12 H new ATOM 0 HG12 VAL A 149 -6.203 -1.741 -4.021 1.00 51.12 H new ATOM 0 HG13 VAL A 149 -7.942 -1.545 -4.345 1.00 51.12 H new ATOM 0 HG21 VAL A 149 -7.834 -3.455 -6.823 1.00 4.51 H new ATOM 0 HG22 VAL A 149 -8.709 -1.909 -6.931 1.00 4.51 H new ATOM 0 HG23 VAL A 149 -7.397 -2.270 -8.077 1.00 4.51 H new ATOM 2149 N TYR A 150 -5.265 0.221 -8.305 1.00 54.43 N ATOM 2150 CA TYR A 150 -5.091 0.442 -9.701 1.00 51.22 C ATOM 2151 C TYR A 150 -4.774 -0.848 -10.380 1.00 42.21 C ATOM 2152 O TYR A 150 -3.810 -1.533 -10.037 1.00 55.14 O ATOM 2153 CB TYR A 150 -4.058 1.529 -9.982 1.00 40.41 C ATOM 2154 CG TYR A 150 -4.572 2.914 -9.655 1.00 5.34 C ATOM 2155 CD1 TYR A 150 -4.783 3.313 -8.346 1.00 73.44 C ATOM 2156 CD2 TYR A 150 -4.880 3.809 -10.668 1.00 74.43 C ATOM 2157 CE1 TYR A 150 -5.278 4.561 -8.056 1.00 40.20 C ATOM 2158 CE2 TYR A 150 -5.380 5.060 -10.383 1.00 4.34 C ATOM 2159 CZ TYR A 150 -5.575 5.433 -9.077 1.00 4.50 C ATOM 2160 OH TYR A 150 -6.081 6.681 -8.787 1.00 74.34 O ATOM 0 H TYR A 150 -4.401 0.188 -7.764 1.00 54.43 H new ATOM 0 HA TYR A 150 -6.026 0.817 -10.117 1.00 51.22 H new ATOM 0 HB2 TYR A 150 -3.159 1.331 -9.398 1.00 40.41 H new ATOM 0 HB3 TYR A 150 -3.771 1.490 -11.033 1.00 40.41 H new ATOM 0 HD1 TYR A 150 -4.555 2.632 -7.540 1.00 73.44 H new ATOM 0 HD2 TYR A 150 -4.725 3.520 -11.697 1.00 74.43 H new ATOM 0 HE1 TYR A 150 -5.434 4.857 -7.029 1.00 40.20 H new ATOM 0 HE2 TYR A 150 -5.618 5.745 -11.184 1.00 4.34 H new ATOM 0 HH TYR A 150 -6.236 7.173 -9.620 1.00 74.34 H new ATOM 2170 N THR A 151 -5.600 -1.191 -11.300 1.00 3.43 N ATOM 2171 CA THR A 151 -5.492 -2.409 -12.002 1.00 31.24 C ATOM 2172 C THR A 151 -5.130 -2.141 -13.449 1.00 4.11 C ATOM 2173 O THR A 151 -5.807 -1.394 -14.137 1.00 12.34 O ATOM 2174 CB THR A 151 -6.819 -3.166 -11.911 1.00 42.40 C ATOM 2175 OG1 THR A 151 -7.158 -3.352 -10.524 1.00 70.43 O ATOM 2176 CG2 THR A 151 -6.712 -4.507 -12.575 1.00 44.33 C ATOM 0 H THR A 151 -6.390 -0.614 -11.590 1.00 3.43 H new ATOM 0 HA THR A 151 -4.705 -3.019 -11.558 1.00 31.24 H new ATOM 0 HB THR A 151 -7.591 -2.586 -12.417 1.00 42.40 H new ATOM 0 HG1 THR A 151 -8.008 -3.835 -10.457 1.00 70.43 H new ATOM 0 HG21 THR A 151 -7.666 -5.028 -12.499 1.00 44.33 H new ATOM 0 HG22 THR A 151 -6.455 -4.373 -13.626 1.00 44.33 H new ATOM 0 HG23 THR A 151 -5.937 -5.095 -12.084 1.00 44.33 H new ATOM 2182 N LEU A 152 -4.059 -2.713 -13.874 1.00 33.12 N ATOM 2183 CA LEU A 152 -3.597 -2.546 -15.218 1.00 33.11 C ATOM 2184 C LEU A 152 -4.039 -3.752 -16.026 1.00 12.20 C ATOM 2185 O LEU A 152 -3.253 -4.717 -16.125 1.00 38.06 O ATOM 2186 CB LEU A 152 -2.043 -2.434 -15.258 1.00 0.21 C ATOM 2187 CG LEU A 152 -1.356 -1.313 -14.443 1.00 0.30 C ATOM 2188 CD1 LEU A 152 -1.562 -1.505 -12.973 1.00 62.30 C ATOM 2189 CD2 LEU A 152 0.123 -1.278 -14.746 1.00 50.13 C ATOM 2190 OXT LEU A 152 -5.190 -3.770 -16.515 1.00 38.06 O ATOM 0 H LEU A 152 -3.470 -3.316 -13.299 1.00 33.12 H new ATOM 0 HA LEU A 152 -4.015 -1.629 -15.634 1.00 33.11 H new ATOM 0 HB2 LEU A 152 -1.635 -3.386 -14.919 1.00 0.21 H new ATOM 0 HB3 LEU A 152 -1.747 -2.313 -16.300 1.00 0.21 H new ATOM 0 HG LEU A 152 -1.810 -0.366 -14.734 1.00 0.30 H new ATOM 0 HD11 LEU A 152 -1.067 -0.701 -12.428 1.00 62.30 H new ATOM 0 HD12 LEU A 152 -2.629 -1.491 -12.750 1.00 62.30 H new ATOM 0 HD13 LEU A 152 -1.140 -2.463 -12.669 1.00 62.30 H new ATOM 0 HD21 LEU A 152 0.595 -0.485 -14.166 1.00 50.13 H new ATOM 0 HD22 LEU A 152 0.571 -2.236 -14.482 1.00 50.13 H new ATOM 0 HD23 LEU A 152 0.272 -1.088 -15.809 1.00 50.13 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 0.944 0.215 -11.172 1.00 62.31 N HETATM 2200 C2 APR A 186 0.068 -0.658 -10.672 1.00 5.23 C HETATM 2201 N3 APR A 186 0.371 -1.953 -10.575 1.00 44.14 N HETATM 2202 C4 APR A 186 1.563 -2.410 -10.993 1.00 2.45 C HETATM 2203 C5 APR A 186 2.475 -1.544 -11.515 1.00 40.32 C HETATM 2204 C6 APR A 186 2.151 -0.204 -11.601 1.00 42.34 C HETATM 2205 N6 APR A 186 3.022 0.663 -12.087 1.00 23.22 N HETATM 2206 N7 APR A 186 3.556 -2.238 -11.846 1.00 63.55 N HETATM 2207 C8 APR A 186 3.332 -3.519 -11.539 1.00 64.12 C HETATM 2208 N9 APR A 186 2.098 -3.621 -11.010 1.00 22.34 N HETATM 2209 C1' APR A 186 1.422 -4.889 -10.509 1.00 11.43 C HETATM 2210 C2' APR A 186 2.425 -6.087 -10.563 1.00 42.40 C HETATM 2211 O2' APR A 186 2.475 -6.638 -11.841 1.00 35.41 O HETATM 2212 C3' APR A 186 1.780 -7.060 -9.557 1.00 14.32 C HETATM 2213 O3' APR A 186 0.854 -7.882 -10.187 1.00 33.02 O HETATM 2214 O4' APR A 186 1.019 -4.767 -9.149 1.00 54.43 O HETATM 2215 C4' APR A 186 1.060 -6.085 -8.548 1.00 14.14 C HETATM 2216 C5' APR A 186 1.850 -6.069 -7.205 1.00 5.04 C HETATM 2217 O5' APR A 186 1.193 -6.856 -6.207 1.00 45.23 O HETATM 2218 PA APR A 186 1.869 -8.211 -5.661 1.00 41.32 P HETATM 2219 O1A APR A 186 3.078 -8.638 -6.430 1.00 73.15 O HETATM 2220 O2A APR A 186 0.740 -9.354 -5.710 1.00 54.10 O HETATM 2221 O3A APR A 186 2.184 -7.978 -4.109 1.00 61.54 O HETATM 2222 PB APR A 186 3.567 -7.314 -3.629 1.00 73.03 P HETATM 2223 O1B APR A 186 3.383 -6.040 -2.862 1.00 34.33 O HETATM 2224 O2B APR A 186 4.459 -7.057 -4.947 1.00 64.15 O HETATM 2225 O5D APR A 186 4.342 -8.431 -2.772 1.00 71.41 O HETATM 2226 C5D APR A 186 5.695 -8.220 -2.370 1.00 1.03 C HETATM 2227 O4D APR A 186 7.167 -8.857 -4.246 1.00 0.31 O HETATM 2228 O1D APR A 186 7.874 -6.625 -3.739 1.00 21.10 O HETATM 2229 C1D APR A 186 8.281 -8.007 -3.948 1.00 54.02 C HETATM 2230 O2D APR A 186 10.121 -9.270 -2.935 1.00 51.01 O HETATM 2231 C2D APR A 186 8.958 -8.566 -2.633 1.00 31.15 C HETATM 2232 O3D APR A 186 8.266 -10.850 -2.011 1.00 42.32 O HETATM 2233 C3D APR A 186 7.872 -9.516 -2.057 1.00 53.11 C HETATM 2234 C4D APR A 186 6.641 -9.281 -3.005 1.00 35.02 C HETATM 0 HR'4 APR A 186 6.047 -10.183 -3.149 1.00 35.02 H new HETATM 0 HR'3 APR A 186 7.651 -9.297 -1.012 1.00 53.11 H new HETATM 0 HR'2 APR A 186 9.258 -7.782 -1.937 1.00 31.15 H new HETATM 0 HR'1 APR A 186 8.972 -8.010 -4.791 1.00 54.02 H new HETATM 0 HOR3 APR A 186 9.072 -10.972 -2.554 1.00 42.32 H new HETATM 0 HOR2 APR A 186 10.000 -9.756 -3.777 1.00 51.01 H new HETATM 0 HOR1 APR A 186 7.441 -6.285 -4.550 1.00 21.10 H new HETATM 0 HO'3 APR A 186 0.458 -8.492 -9.530 1.00 33.02 H new HETATM 0 HO'2 APR A 186 1.890 -7.423 -11.882 1.00 35.41 H new HETATM 0 H5R2 APR A 186 6.014 -7.221 -2.666 1.00 1.03 H new HETATM 0 H5R1 APR A 186 5.766 -8.269 -1.283 1.00 1.03 H new HETATM 0 H5'2 APR A 186 2.857 -6.452 -7.368 1.00 5.04 H new HETATM 0 H5'1 APR A 186 1.952 -5.043 -6.853 1.00 5.04 H new HETATM 0 H8 APR A 186 4.030 -4.342 -11.691 1.00 64.12 H new HETATM 0 H62 APR A 186 3.935 0.342 -12.411 1.00 23.22 H new HETATM 0 H61 APR A 186 2.782 1.653 -12.138 1.00 23.22 H new HETATM 0 H2 APR A 186 -0.909 -0.308 -10.338 1.00 5.23 H new HETATM 0 H'4 APR A 186 0.042 -6.413 -8.338 1.00 14.14 H new HETATM 0 H'3 APR A 186 2.497 -7.730 -9.082 1.00 14.32 H new HETATM 0 H'2 APR A 186 3.457 -5.824 -10.331 1.00 42.40 H new HETATM 0 H'1 APR A 186 0.555 -5.054 -11.148 1.00 11.43 H new