USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 136 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 140 ASN :FLIP amide:sc= 0.447 F(o=-1.3!,f=0.45) USER MOD Set 2.1: A 107 MET CE :methyl -104:sc= -2.08! (180deg=-3.78!) USER MOD Set 2.2: A 139 CYS SG : rot -94:sc= 0.268 USER MOD Set 3.1: A 75 THR OG1 : rot 6:sc= 1.77 USER MOD Set 3.2: A 77 CYS SG : rot 108:sc= 1.25 USER MOD Set 4.1: A 51 TYR OH : rot -112:sc= 1.22 USER MOD Set 4.2: A 67 ASN : amide:sc= 1.8 K(o=3,f=-3.7!) USER MOD Set 5.1: A 46 ASN : amide:sc= 0.0776! K(o=0.3!,f=-1.2) USER MOD Set 5.2: A 49 LYS NZ :NH3+ -132:sc= 0.219 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc=-0.00486 (180deg=-0.125) USER MOD Single : A 33 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 34 GLN : amide:sc= 0.653 K(o=0.65,f=-0.77) USER MOD Single : A 36 ASN : amide:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.16) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc=-0.00437 (180deg=-0.0884) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 66:sc= 2.22 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.138 F(o=-1.1,f=-0.14) USER MOD Single : A 58 ASN : amide:sc= -4.58! C(o=-4.6!,f=-5.2!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.799 USER MOD Single : A 61 ASN : amide:sc= -0.203 K(o=-0.2,f=-7.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= -0.232 USER MOD Single : A 69 SER OG : rot 96:sc= -1.1! USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 87:sc= 0.0268 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.95) USER MOD Single : A 86 THR OG1 : rot 60:sc= 0.611 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.154) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0263) USER MOD Single : A 95 TYR OH : rot 50:sc= -0.365 USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.027) USER MOD Single : A 99 TYR OH : rot 17:sc= -2.08! USER MOD Single : A 100 TYR OH : rot -100:sc= -0.05 USER MOD Single : A 105 SER OG : rot 69:sc= 0.386 USER MOD Single : A 106 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.1!) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0402) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 73:sc= 1.02 USER MOD Single : A 124 LYS NZ :NH3+ -171:sc= 0.555 (180deg=0.507) USER MOD Single : A 126 LYS NZ :NH3+ 151:sc= -0.738 (180deg=-1.34!) USER MOD Single : A 128 HIS : no HD1:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 135:sc= 0.53 (180deg=-0.353) USER MOD Single : A 134 MET CE :methyl 140:sc= -1.49 (180deg=-1.9) USER MOD Single : A 135 LYS NZ :NH3+ -177:sc= 0.629 (180deg=0.602) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.839 K(o=-0.84,f=-5.5!) USER MOD Single : A 146 LYS NZ :NH3+ -157:sc= -1.64! (180deg=-2.71!) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.383 -14.081 5.634 1.00 0.78 N ATOM 28 CA PRO A 19 -17.226 -12.973 4.719 1.00 0.70 C ATOM 29 C PRO A 19 -18.585 -12.379 4.427 1.00 0.65 C ATOM 30 O PRO A 19 -19.534 -13.120 4.138 1.00 0.70 O ATOM 31 CB PRO A 19 -16.648 -13.594 3.443 1.00 0.71 C ATOM 32 CG PRO A 19 -16.611 -15.072 3.682 1.00 0.75 C ATOM 33 CD PRO A 19 -16.671 -15.274 5.171 1.00 0.84 C ATOM 0 HA PRO A 19 -16.588 -12.184 5.117 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.266 -13.354 2.578 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.650 -13.207 3.238 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.451 -15.564 3.191 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.701 -15.507 3.269 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.202 -16.189 5.434 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.676 -15.346 5.609 1.00 0.84 H new ATOM 41 N PRO A 20 -18.728 -11.059 4.549 1.00 0.58 N ATOM 42 CA PRO A 20 -19.983 -10.389 4.242 1.00 0.54 C ATOM 43 C PRO A 20 -20.467 -10.769 2.860 1.00 0.55 C ATOM 44 O PRO A 20 -19.694 -11.237 2.021 1.00 0.58 O ATOM 45 CB PRO A 20 -19.632 -8.911 4.322 1.00 0.49 C ATOM 46 CG PRO A 20 -18.487 -8.869 5.271 1.00 0.50 C ATOM 47 CD PRO A 20 -17.697 -10.120 5.004 1.00 0.56 C ATOM 0 HA PRO A 20 -20.791 -10.661 4.921 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.357 -8.512 3.346 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.473 -8.319 4.683 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.878 -7.979 5.112 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.834 -8.837 6.304 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.930 -9.961 4.246 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.190 -10.478 5.900 1.00 0.56 H new ATOM 55 N ALA A 21 -21.736 -10.596 2.627 1.00 0.56 N ATOM 56 CA ALA A 21 -22.331 -11.080 1.414 1.00 0.63 C ATOM 57 C ALA A 21 -21.910 -10.258 0.200 1.00 0.60 C ATOM 58 O ALA A 21 -21.233 -9.240 0.322 1.00 0.60 O ATOM 59 CB ALA A 21 -23.840 -11.117 1.571 1.00 0.72 C ATOM 0 H ALA A 21 -22.380 -10.123 3.261 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.970 -12.092 1.232 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.293 -11.484 0.650 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.104 -11.780 2.395 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.209 -10.113 1.781 1.00 0.72 H new ATOM 65 N ASP A 22 -22.349 -10.740 -0.948 1.00 0.64 N ATOM 66 CA ASP A 22 -22.157 -10.125 -2.261 1.00 0.70 C ATOM 67 C ASP A 22 -22.299 -8.615 -2.219 1.00 0.67 C ATOM 68 O ASP A 22 -21.314 -7.944 -1.988 1.00 1.01 O ATOM 69 CB ASP A 22 -23.114 -10.725 -3.292 1.00 1.01 C ATOM 70 CG ASP A 22 -22.661 -12.084 -3.785 1.00 1.54 C ATOM 71 OD1 ASP A 22 -21.843 -12.139 -4.726 1.00 1.66 O ATOM 72 OD2 ASP A 22 -23.126 -13.103 -3.239 1.00 2.34 O ATOM 0 H ASP A 22 -22.875 -11.612 -0.999 1.00 0.64 H new ATOM 0 HA ASP A 22 -21.133 -10.345 -2.563 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -24.107 -10.815 -2.852 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -23.202 -10.046 -4.140 1.00 1.01 H new ATOM 77 N GLY A 23 -23.455 -8.097 -2.636 1.00 0.72 N ATOM 78 CA GLY A 23 -23.723 -6.653 -2.633 1.00 0.69 C ATOM 79 C GLY A 23 -22.874 -5.826 -1.660 1.00 0.61 C ATOM 80 O GLY A 23 -22.363 -4.782 -2.045 1.00 0.60 O ATOM 0 H GLY A 23 -24.230 -8.661 -2.984 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.566 -6.270 -3.641 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.775 -6.497 -2.393 1.00 0.69 H new ATOM 84 N ALA A 24 -22.715 -6.284 -0.420 1.00 0.59 N ATOM 85 CA ALA A 24 -21.852 -5.596 0.549 1.00 0.55 C ATOM 86 C ALA A 24 -20.378 -5.680 0.142 1.00 0.48 C ATOM 87 O ALA A 24 -19.683 -4.668 0.089 1.00 0.44 O ATOM 88 CB ALA A 24 -22.029 -6.198 1.935 1.00 0.56 C ATOM 0 H ALA A 24 -23.168 -7.124 -0.060 1.00 0.59 H new ATOM 0 HA ALA A 24 -22.147 -4.547 0.566 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.383 -5.678 2.643 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -23.068 -6.093 2.247 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.763 -7.255 1.909 1.00 0.56 H new ATOM 94 N LEU A 25 -19.910 -6.891 -0.137 1.00 0.49 N ATOM 95 CA LEU A 25 -18.536 -7.117 -0.574 1.00 0.48 C ATOM 96 C LEU A 25 -18.243 -6.406 -1.882 1.00 0.51 C ATOM 97 O LEU A 25 -17.201 -5.776 -2.030 1.00 0.53 O ATOM 98 CB LEU A 25 -18.251 -8.613 -0.734 1.00 0.47 C ATOM 99 CG LEU A 25 -17.996 -9.363 0.567 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.978 -10.469 0.357 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.533 -8.406 1.644 1.00 0.49 C ATOM 0 H LEU A 25 -20.469 -7.741 -0.067 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.885 -6.708 0.198 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.096 -9.076 -1.243 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.383 -8.735 -1.382 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.931 -9.820 0.891 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -16.810 -10.992 1.298 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.353 -11.172 -0.387 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.039 -10.038 0.009 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.355 -8.956 2.568 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.610 -7.921 1.327 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.300 -7.651 1.814 1.00 0.49 H new ATOM 113 N LYS A 26 -19.168 -6.496 -2.824 1.00 0.55 N ATOM 114 CA LYS A 26 -18.994 -5.849 -4.114 1.00 0.59 C ATOM 115 C LYS A 26 -19.111 -4.342 -3.942 1.00 0.52 C ATOM 116 O LYS A 26 -18.699 -3.576 -4.800 1.00 0.53 O ATOM 117 CB LYS A 26 -20.032 -6.349 -5.121 1.00 0.68 C ATOM 118 CG LYS A 26 -21.341 -5.588 -5.063 1.00 0.73 C ATOM 119 CD LYS A 26 -22.409 -6.238 -5.918 1.00 0.82 C ATOM 120 CE LYS A 26 -23.639 -5.358 -6.021 1.00 0.93 C ATOM 121 NZ LYS A 26 -24.679 -5.970 -6.886 1.00 1.53 N ATOM 0 H LYS A 26 -20.044 -7.009 -2.720 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.005 -6.096 -4.501 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.619 -6.271 -6.127 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.226 -7.406 -4.937 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.685 -5.535 -4.030 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -21.181 -4.563 -5.399 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.013 -6.432 -6.915 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.683 -7.203 -5.491 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.048 -5.186 -5.025 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.358 -4.384 -6.423 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -25.506 -5.341 -6.933 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -24.296 -6.111 -7.843 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -24.965 -6.888 -6.489 1.00 1.53 H new ATOM 135 N ARG A 27 -19.692 -3.928 -2.822 1.00 0.49 N ATOM 136 CA ARG A 27 -19.768 -2.524 -2.475 1.00 0.45 C ATOM 137 C ARG A 27 -18.464 -2.088 -1.818 1.00 0.39 C ATOM 138 O ARG A 27 -18.005 -0.967 -2.014 1.00 0.37 O ATOM 139 CB ARG A 27 -20.946 -2.261 -1.546 1.00 0.49 C ATOM 140 CG ARG A 27 -21.037 -0.830 -1.054 1.00 0.45 C ATOM 141 CD ARG A 27 -21.280 0.149 -2.180 1.00 0.51 C ATOM 142 NE ARG A 27 -22.635 0.050 -2.719 1.00 1.11 N ATOM 143 CZ ARG A 27 -23.013 0.569 -3.888 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.117 1.137 -4.683 1.00 1.01 N ATOM 145 NH2 ARG A 27 -24.283 0.506 -4.265 1.00 2.11 N ATOM 0 H ARG A 27 -20.118 -4.553 -2.138 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.921 -1.944 -3.385 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.869 -2.515 -2.067 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.872 -2.926 -0.686 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.843 -0.749 -0.325 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.114 -0.566 -0.539 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -21.108 1.163 -1.820 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -20.560 -0.032 -2.978 1.00 0.51 H new ATOM 0 HE ARG A 27 -23.335 -0.447 -2.167 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.138 1.177 -4.401 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -22.407 1.534 -5.577 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -24.973 0.060 -3.660 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -24.570 0.904 -5.159 1.00 2.11 H new ATOM 159 N ALA A 28 -17.872 -2.979 -1.039 1.00 0.39 N ATOM 160 CA ALA A 28 -16.532 -2.760 -0.525 1.00 0.37 C ATOM 161 C ALA A 28 -15.568 -2.682 -1.704 1.00 0.37 C ATOM 162 O ALA A 28 -14.666 -1.844 -1.745 1.00 0.36 O ATOM 163 CB ALA A 28 -16.142 -3.880 0.432 1.00 0.42 C ATOM 0 H ALA A 28 -18.299 -3.859 -0.750 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.493 -1.825 0.034 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.135 -3.702 0.809 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.843 -3.906 1.267 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.169 -4.834 -0.094 1.00 0.42 H new ATOM 169 N GLU A 29 -15.807 -3.557 -2.673 1.00 0.43 N ATOM 170 CA GLU A 29 -15.077 -3.559 -3.929 1.00 0.47 C ATOM 171 C GLU A 29 -15.424 -2.300 -4.725 1.00 0.45 C ATOM 172 O GLU A 29 -14.596 -1.760 -5.459 1.00 0.48 O ATOM 173 CB GLU A 29 -15.453 -4.806 -4.732 1.00 0.55 C ATOM 174 CG GLU A 29 -14.429 -5.200 -5.781 1.00 0.84 C ATOM 175 CD GLU A 29 -14.871 -6.400 -6.590 1.00 1.52 C ATOM 176 OE1 GLU A 29 -15.589 -6.217 -7.595 1.00 2.41 O ATOM 177 OE2 GLU A 29 -14.502 -7.538 -6.227 1.00 1.83 O ATOM 0 H GLU A 29 -16.516 -4.287 -2.607 1.00 0.43 H new ATOM 0 HA GLU A 29 -14.005 -3.570 -3.730 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -15.592 -5.640 -4.044 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -16.411 -4.634 -5.222 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -14.254 -4.357 -6.450 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -13.480 -5.422 -5.294 1.00 0.84 H new ATOM 184 N GLU A 30 -16.656 -1.834 -4.547 1.00 0.43 N ATOM 185 CA GLU A 30 -17.156 -0.644 -5.219 1.00 0.44 C ATOM 186 C GLU A 30 -16.373 0.562 -4.766 1.00 0.41 C ATOM 187 O GLU A 30 -15.892 1.344 -5.569 1.00 0.48 O ATOM 188 CB GLU A 30 -18.622 -0.411 -4.867 1.00 0.47 C ATOM 189 CG GLU A 30 -19.548 -0.325 -6.055 1.00 0.64 C ATOM 190 CD GLU A 30 -18.991 0.537 -7.169 1.00 1.23 C ATOM 191 OE1 GLU A 30 -19.156 1.774 -7.094 1.00 1.52 O ATOM 192 OE2 GLU A 30 -18.393 -0.011 -8.116 1.00 1.72 O ATOM 0 H GLU A 30 -17.337 -2.275 -3.929 1.00 0.43 H new ATOM 0 HA GLU A 30 -17.050 -0.790 -6.294 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.959 -1.219 -4.218 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.702 0.512 -4.293 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.736 -1.328 -6.437 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -20.508 0.079 -5.734 1.00 0.64 H new ATOM 199 N LEU A 31 -16.263 0.693 -3.460 1.00 0.36 N ATOM 200 CA LEU A 31 -15.569 1.804 -2.846 1.00 0.36 C ATOM 201 C LEU A 31 -14.087 1.758 -3.180 1.00 0.37 C ATOM 202 O LEU A 31 -13.449 2.794 -3.320 1.00 0.41 O ATOM 203 CB LEU A 31 -15.790 1.754 -1.344 1.00 0.35 C ATOM 204 CG LEU A 31 -17.258 1.704 -0.934 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.391 1.261 0.510 1.00 0.37 C ATOM 206 CD2 LEU A 31 -17.926 3.051 -1.131 1.00 0.42 C ATOM 0 H LEU A 31 -16.654 0.028 -2.793 1.00 0.36 H new ATOM 0 HA LEU A 31 -15.964 2.742 -3.235 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.281 0.878 -0.941 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.326 2.629 -0.890 1.00 0.35 H new ATOM 0 HG LEU A 31 -17.760 0.978 -1.573 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.445 1.231 0.786 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -16.957 0.268 0.627 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -16.867 1.965 1.156 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -18.972 2.986 -0.831 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.420 3.801 -0.523 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -17.867 3.336 -2.181 1.00 0.42 H new ATOM 218 N LYS A 32 -13.550 0.550 -3.323 1.00 0.37 N ATOM 219 CA LYS A 32 -12.174 0.374 -3.761 1.00 0.41 C ATOM 220 C LYS A 32 -12.035 0.901 -5.187 1.00 0.43 C ATOM 221 O LYS A 32 -11.018 1.483 -5.563 1.00 0.47 O ATOM 222 CB LYS A 32 -11.810 -1.108 -3.715 1.00 0.44 C ATOM 223 CG LYS A 32 -10.319 -1.387 -3.699 1.00 0.76 C ATOM 224 CD LYS A 32 -10.019 -2.764 -4.258 1.00 0.70 C ATOM 225 CE LYS A 32 -10.030 -2.746 -5.773 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.807 -2.098 -6.315 1.00 1.15 N ATOM 0 H LYS A 32 -14.049 -0.321 -3.141 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.501 0.924 -3.103 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.260 -1.553 -2.827 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.251 -1.605 -4.579 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.797 -0.631 -4.286 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.943 -1.315 -2.679 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -9.046 -3.102 -3.901 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.758 -3.478 -3.893 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.101 -3.766 -6.150 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -10.913 -2.213 -6.126 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.706 -2.335 -7.323 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -8.884 -1.066 -6.207 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -7.974 -2.439 -5.794 1.00 1.15 H new ATOM 240 N THR A 33 -13.090 0.699 -5.962 1.00 0.43 N ATOM 241 CA THR A 33 -13.153 1.166 -7.336 1.00 0.47 C ATOM 242 C THR A 33 -13.326 2.686 -7.374 1.00 0.47 C ATOM 243 O THR A 33 -12.619 3.386 -8.100 1.00 0.52 O ATOM 244 CB THR A 33 -14.322 0.486 -8.078 1.00 0.49 C ATOM 245 OG1 THR A 33 -14.201 -0.940 -7.975 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.349 0.879 -9.541 1.00 0.57 C ATOM 0 H THR A 33 -13.928 0.205 -5.654 1.00 0.43 H new ATOM 0 HA THR A 33 -12.219 0.905 -7.833 1.00 0.47 H new ATOM 0 HB THR A 33 -15.251 0.817 -7.613 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.532 -1.234 -7.101 1.00 0.50 H new ATOM 0 HG21 THR A 33 -15.184 0.383 -10.036 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.467 1.959 -9.625 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.415 0.578 -10.016 1.00 0.57 H new ATOM 254 N GLN A 34 -14.271 3.183 -6.581 1.00 0.44 N ATOM 255 CA GLN A 34 -14.499 4.615 -6.446 1.00 0.46 C ATOM 256 C GLN A 34 -13.242 5.322 -5.978 1.00 0.46 C ATOM 257 O GLN A 34 -12.851 6.340 -6.532 1.00 0.51 O ATOM 258 CB GLN A 34 -15.633 4.877 -5.460 1.00 0.48 C ATOM 259 CG GLN A 34 -16.946 4.286 -5.914 1.00 0.50 C ATOM 260 CD GLN A 34 -18.112 4.662 -5.024 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.116 5.718 -4.392 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.124 3.808 -4.991 1.00 1.31 N ATOM 0 H GLN A 34 -14.896 2.607 -6.018 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.774 5.007 -7.425 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.368 4.460 -4.488 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -15.750 5.952 -5.324 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.153 4.617 -6.932 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -16.857 3.200 -5.944 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.080 2.943 -5.530 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.948 4.015 -4.426 1.00 1.31 H new ATOM 271 N ALA A 35 -12.604 4.767 -4.966 1.00 0.43 N ATOM 272 CA ALA A 35 -11.391 5.348 -4.423 1.00 0.44 C ATOM 273 C ALA A 35 -10.262 5.322 -5.445 1.00 0.48 C ATOM 274 O ALA A 35 -9.346 6.138 -5.382 1.00 0.50 O ATOM 275 CB ALA A 35 -10.986 4.624 -3.161 1.00 0.42 C ATOM 0 H ALA A 35 -12.907 3.911 -4.501 1.00 0.43 H new ATOM 0 HA ALA A 35 -11.592 6.391 -4.179 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.074 5.069 -2.763 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -11.783 4.707 -2.422 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -10.808 3.572 -3.386 1.00 0.42 H new ATOM 281 N ASN A 36 -10.326 4.380 -6.381 1.00 0.53 N ATOM 282 CA ASN A 36 -9.395 4.355 -7.505 1.00 0.61 C ATOM 283 C ASN A 36 -9.678 5.532 -8.430 1.00 0.63 C ATOM 284 O ASN A 36 -8.761 6.163 -8.958 1.00 0.67 O ATOM 285 CB ASN A 36 -9.512 3.035 -8.277 1.00 0.69 C ATOM 286 CG ASN A 36 -8.589 2.972 -9.481 1.00 1.28 C ATOM 287 OD1 ASN A 36 -7.429 2.580 -9.366 1.00 1.88 O ATOM 288 ND2 ASN A 36 -9.103 3.340 -10.646 1.00 2.01 N ATOM 0 H ASN A 36 -11.012 3.625 -6.384 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.378 4.435 -7.120 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.284 2.206 -7.607 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.542 2.903 -8.608 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -8.531 3.304 -11.490 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -10.070 3.659 -10.699 1.00 2.01 H new ATOM 295 N ASP A 37 -10.958 5.840 -8.598 1.00 0.63 N ATOM 296 CA ASP A 37 -11.370 6.983 -9.401 1.00 0.68 C ATOM 297 C ASP A 37 -10.955 8.266 -8.714 1.00 0.65 C ATOM 298 O ASP A 37 -10.490 9.196 -9.358 1.00 0.68 O ATOM 299 CB ASP A 37 -12.885 6.998 -9.619 1.00 0.73 C ATOM 300 CG ASP A 37 -13.295 8.092 -10.587 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.128 7.906 -11.812 1.00 1.05 O ATOM 302 OD2 ASP A 37 -13.767 9.153 -10.131 1.00 1.04 O ATOM 0 H ASP A 37 -11.729 5.313 -8.188 1.00 0.63 H new ATOM 0 HA ASP A 37 -10.883 6.901 -10.373 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.208 6.031 -10.003 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.390 7.147 -8.665 1.00 0.73 H new ATOM 307 N TYR A 38 -11.120 8.302 -7.399 1.00 0.60 N ATOM 308 CA TYR A 38 -10.712 9.453 -6.610 1.00 0.58 C ATOM 309 C TYR A 38 -9.189 9.551 -6.548 1.00 0.57 C ATOM 310 O TYR A 38 -8.638 10.642 -6.501 1.00 0.57 O ATOM 311 CB TYR A 38 -11.323 9.395 -5.208 1.00 0.54 C ATOM 312 CG TYR A 38 -12.795 9.769 -5.175 1.00 0.56 C ATOM 313 CD1 TYR A 38 -13.749 8.957 -5.771 1.00 0.63 C ATOM 314 CD2 TYR A 38 -13.230 10.930 -4.545 1.00 0.59 C ATOM 315 CE1 TYR A 38 -15.090 9.283 -5.743 1.00 0.67 C ATOM 316 CE2 TYR A 38 -14.573 11.265 -4.513 1.00 0.63 C ATOM 317 CZ TYR A 38 -15.499 10.435 -5.113 1.00 0.65 C ATOM 318 OH TYR A 38 -16.841 10.755 -5.081 1.00 0.71 O ATOM 0 H TYR A 38 -11.535 7.545 -6.856 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.085 10.354 -7.097 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.203 8.388 -4.809 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -10.770 10.067 -4.551 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.436 8.050 -6.267 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -12.509 11.581 -4.073 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -15.815 8.636 -6.214 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -14.895 12.171 -4.021 1.00 0.63 H new ATOM 0 HH TYR A 38 -16.965 11.599 -4.598 1.00 0.71 H new ATOM 328 N PHE A 39 -8.513 8.409 -6.570 1.00 0.57 N ATOM 329 CA PHE A 39 -7.064 8.376 -6.688 1.00 0.57 C ATOM 330 C PHE A 39 -6.649 9.052 -7.989 1.00 0.63 C ATOM 331 O PHE A 39 -5.778 9.923 -8.010 1.00 0.67 O ATOM 332 CB PHE A 39 -6.587 6.922 -6.656 1.00 0.58 C ATOM 333 CG PHE A 39 -5.112 6.741 -6.855 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.243 6.805 -5.783 1.00 0.55 C ATOM 335 CD2 PHE A 39 -4.601 6.486 -8.115 1.00 0.70 C ATOM 336 CE1 PHE A 39 -2.891 6.619 -5.958 1.00 0.59 C ATOM 337 CE2 PHE A 39 -3.247 6.302 -8.300 1.00 0.73 C ATOM 338 CZ PHE A 39 -2.389 6.367 -7.220 1.00 0.65 C ATOM 0 H PHE A 39 -8.950 7.489 -6.507 1.00 0.57 H new ATOM 0 HA PHE A 39 -6.607 8.911 -5.856 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -6.867 6.483 -5.698 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.115 6.364 -7.429 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -4.630 7.004 -4.794 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -5.269 6.431 -8.962 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -2.224 6.670 -5.110 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -2.858 6.107 -9.289 1.00 0.73 H new ATOM 0 HZ PHE A 39 -1.328 6.221 -7.362 1.00 0.65 H new ATOM 348 N LYS A 40 -7.312 8.653 -9.064 1.00 0.66 N ATOM 349 CA LYS A 40 -7.085 9.222 -10.383 1.00 0.74 C ATOM 350 C LYS A 40 -7.592 10.666 -10.441 1.00 0.73 C ATOM 351 O LYS A 40 -7.139 11.462 -11.267 1.00 0.79 O ATOM 352 CB LYS A 40 -7.766 8.325 -11.433 1.00 0.82 C ATOM 353 CG LYS A 40 -8.785 9.014 -12.333 1.00 1.18 C ATOM 354 CD LYS A 40 -9.501 7.988 -13.199 1.00 1.09 C ATOM 355 CE LYS A 40 -10.435 8.629 -14.214 1.00 1.56 C ATOM 356 NZ LYS A 40 -11.621 9.268 -13.584 1.00 2.26 N ATOM 0 H LYS A 40 -8.025 7.923 -9.046 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.017 9.258 -10.598 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -6.993 7.884 -12.062 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.263 7.504 -10.915 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.509 9.557 -11.725 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -8.285 9.748 -12.965 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -8.762 7.381 -13.723 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.072 7.314 -12.560 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -9.885 9.377 -14.785 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -10.770 7.871 -14.922 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -12.187 9.746 -14.314 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -12.201 8.541 -13.118 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -11.306 9.964 -12.879 1.00 2.26 H new ATOM 370 N ALA A 41 -8.511 11.003 -9.539 1.00 0.68 N ATOM 371 CA ALA A 41 -9.061 12.349 -9.456 1.00 0.70 C ATOM 372 C ALA A 41 -8.257 13.218 -8.493 1.00 0.71 C ATOM 373 O ALA A 41 -8.570 14.395 -8.301 1.00 0.78 O ATOM 374 CB ALA A 41 -10.512 12.310 -9.014 1.00 0.68 C ATOM 0 H ALA A 41 -8.892 10.354 -8.850 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.001 12.787 -10.452 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -10.903 13.326 -8.959 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.096 11.735 -9.733 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.581 11.841 -8.033 1.00 0.68 H new ATOM 380 N LYS A 42 -7.248 12.610 -7.865 1.00 0.68 N ATOM 381 CA LYS A 42 -6.327 13.305 -6.962 1.00 0.70 C ATOM 382 C LYS A 42 -6.963 13.614 -5.604 1.00 0.66 C ATOM 383 O LYS A 42 -6.435 14.412 -4.832 1.00 0.70 O ATOM 384 CB LYS A 42 -5.798 14.588 -7.603 1.00 0.82 C ATOM 385 CG LYS A 42 -4.920 14.344 -8.820 1.00 0.96 C ATOM 386 CD LYS A 42 -4.428 15.652 -9.410 1.00 1.41 C ATOM 387 CE LYS A 42 -3.547 15.433 -10.630 1.00 1.57 C ATOM 388 NZ LYS A 42 -4.299 14.833 -11.762 1.00 2.30 N ATOM 0 H LYS A 42 -7.046 11.616 -7.969 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.492 12.627 -6.784 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -6.642 15.213 -7.894 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.228 15.147 -6.861 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -4.068 13.725 -8.539 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.482 13.791 -9.572 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -5.283 16.269 -9.687 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -3.869 16.203 -8.654 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.120 16.385 -10.944 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -2.714 14.782 -10.363 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -3.706 14.841 -12.616 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -4.555 13.853 -11.528 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -5.163 15.384 -11.936 1.00 2.30 H new ATOM 402 N ASP A 43 -8.078 12.965 -5.303 1.00 0.61 N ATOM 403 CA ASP A 43 -8.710 13.103 -3.997 1.00 0.58 C ATOM 404 C ASP A 43 -8.414 11.867 -3.160 1.00 0.52 C ATOM 405 O ASP A 43 -9.198 10.915 -3.103 1.00 0.54 O ATOM 406 CB ASP A 43 -10.219 13.303 -4.118 1.00 0.61 C ATOM 407 CG ASP A 43 -10.821 13.904 -2.861 1.00 0.61 C ATOM 408 OD1 ASP A 43 -10.525 13.416 -1.748 1.00 0.60 O ATOM 409 OD2 ASP A 43 -11.599 14.870 -2.980 1.00 0.73 O ATOM 0 H ASP A 43 -8.564 12.338 -5.944 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.299 13.988 -3.512 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -10.431 13.953 -4.967 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -10.695 12.345 -4.324 1.00 0.61 H new ATOM 414 N TYR A 44 -7.261 11.880 -2.527 1.00 0.48 N ATOM 415 CA TYR A 44 -6.765 10.732 -1.799 1.00 0.45 C ATOM 416 C TYR A 44 -7.441 10.595 -0.439 1.00 0.44 C ATOM 417 O TYR A 44 -7.441 9.518 0.145 1.00 0.43 O ATOM 418 CB TYR A 44 -5.257 10.865 -1.667 1.00 0.45 C ATOM 419 CG TYR A 44 -4.594 11.085 -3.013 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.686 10.121 -4.007 1.00 0.49 C ATOM 421 CD2 TYR A 44 -3.895 12.253 -3.297 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.101 10.305 -5.242 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.303 12.447 -4.535 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.411 11.467 -5.504 1.00 0.64 C ATOM 425 OH TYR A 44 -2.828 11.650 -6.738 1.00 0.75 O ATOM 0 H TYR A 44 -6.640 12.689 -2.503 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.003 9.820 -2.347 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.022 11.698 -1.005 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -4.851 9.965 -1.204 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.227 9.208 -3.809 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -3.812 13.020 -2.542 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.184 9.541 -6.001 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -2.761 13.358 -4.741 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.380 12.521 -6.762 1.00 0.75 H new ATOM 435 N GLU A 45 -8.045 11.676 0.044 1.00 0.48 N ATOM 436 CA GLU A 45 -8.718 11.656 1.340 1.00 0.50 C ATOM 437 C GLU A 45 -10.076 11.032 1.251 1.00 0.46 C ATOM 438 O GLU A 45 -10.445 10.217 2.095 1.00 0.43 O ATOM 439 CB GLU A 45 -8.849 13.050 1.909 1.00 0.61 C ATOM 440 CG GLU A 45 -7.513 13.611 2.241 1.00 0.76 C ATOM 441 CD GLU A 45 -7.572 14.943 2.950 1.00 0.87 C ATOM 442 OE1 GLU A 45 -7.714 15.973 2.261 1.00 1.17 O ATOM 443 OE2 GLU A 45 -7.488 14.970 4.196 1.00 1.47 O ATOM 0 H GLU A 45 -8.083 12.574 -0.439 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.098 11.052 2.003 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -9.351 13.696 1.189 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -9.471 13.026 2.804 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -6.976 12.899 2.868 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -6.938 13.724 1.322 1.00 0.76 H new ATOM 450 N ASN A 46 -10.840 11.415 0.251 1.00 0.48 N ATOM 451 CA ASN A 46 -12.118 10.799 0.076 1.00 0.48 C ATOM 452 C ASN A 46 -11.924 9.331 -0.253 1.00 0.43 C ATOM 453 O ASN A 46 -12.743 8.485 0.105 1.00 0.43 O ATOM 454 CB ASN A 46 -12.960 11.490 -0.998 1.00 0.53 C ATOM 455 CG ASN A 46 -13.691 12.705 -0.467 1.00 0.60 C ATOM 456 OD1 ASN A 46 -14.804 12.595 0.048 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.083 13.869 -0.601 1.00 0.63 N ATOM 0 H ASN A 46 -10.599 12.133 -0.433 1.00 0.48 H new ATOM 0 HA ASN A 46 -12.671 10.899 1.010 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.315 11.790 -1.824 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -13.684 10.781 -1.400 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -13.536 14.722 -0.272 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.161 13.916 -1.034 1.00 0.63 H new ATOM 464 N ALA A 47 -10.814 9.036 -0.924 1.00 0.41 N ATOM 465 CA ALA A 47 -10.400 7.661 -1.154 1.00 0.38 C ATOM 466 C ALA A 47 -10.169 6.941 0.178 1.00 0.34 C ATOM 467 O ALA A 47 -10.599 5.800 0.354 1.00 0.32 O ATOM 468 CB ALA A 47 -9.149 7.626 -2.015 1.00 0.40 C ATOM 0 H ALA A 47 -10.185 9.736 -1.318 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.196 7.139 -1.686 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -8.850 6.591 -2.180 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.354 8.101 -2.974 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.345 8.160 -1.510 1.00 0.40 H new ATOM 474 N ILE A 48 -9.501 7.625 1.117 1.00 0.34 N ATOM 475 CA ILE A 48 -9.321 7.115 2.483 1.00 0.32 C ATOM 476 C ILE A 48 -10.666 6.693 3.064 1.00 0.29 C ATOM 477 O ILE A 48 -10.804 5.622 3.661 1.00 0.28 O ATOM 478 CB ILE A 48 -8.697 8.189 3.415 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.278 8.538 2.973 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.695 7.729 4.866 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.623 9.616 3.812 1.00 0.42 C ATOM 0 H ILE A 48 -9.075 8.537 0.954 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.646 6.261 2.425 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.315 9.084 3.341 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.664 7.638 3.011 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.301 8.864 1.933 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.252 8.503 5.492 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.719 7.542 5.190 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.113 6.812 4.956 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.618 9.809 3.437 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.213 10.531 3.755 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.566 9.285 4.849 1.00 0.42 H new ATOM 493 N LYS A 49 -11.653 7.552 2.863 1.00 0.31 N ATOM 494 CA LYS A 49 -13.008 7.319 3.333 1.00 0.32 C ATOM 495 C LYS A 49 -13.586 6.037 2.741 1.00 0.27 C ATOM 496 O LYS A 49 -14.095 5.186 3.467 1.00 0.27 O ATOM 497 CB LYS A 49 -13.880 8.515 2.959 1.00 0.39 C ATOM 498 CG LYS A 49 -15.348 8.352 3.300 1.00 0.44 C ATOM 499 CD LYS A 49 -16.122 9.610 2.957 1.00 0.63 C ATOM 500 CE LYS A 49 -16.310 9.765 1.459 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.192 10.913 1.136 1.00 1.50 N ATOM 0 H LYS A 49 -11.535 8.435 2.366 1.00 0.31 H new ATOM 0 HA LYS A 49 -12.988 7.202 4.416 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.498 9.400 3.467 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -13.786 8.696 1.888 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -15.761 7.505 2.753 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.457 8.130 4.362 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.096 9.582 3.445 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.595 10.480 3.349 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.340 9.905 0.982 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.737 8.850 1.049 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -17.913 10.614 0.448 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -17.659 11.247 2.003 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -16.624 11.684 0.730 1.00 1.50 H new ATOM 515 N PHE A 50 -13.495 5.899 1.423 1.00 0.27 N ATOM 516 CA PHE A 50 -14.055 4.738 0.735 1.00 0.27 C ATOM 517 C PHE A 50 -13.414 3.445 1.215 1.00 0.23 C ATOM 518 O PHE A 50 -14.104 2.453 1.437 1.00 0.25 O ATOM 519 CB PHE A 50 -13.899 4.873 -0.778 1.00 0.35 C ATOM 520 CG PHE A 50 -14.664 6.026 -1.352 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.022 6.161 -1.108 1.00 0.56 C ATOM 522 CD2 PHE A 50 -14.027 6.981 -2.119 1.00 0.71 C ATOM 523 CE1 PHE A 50 -16.727 7.227 -1.622 1.00 0.65 C ATOM 524 CE2 PHE A 50 -14.727 8.052 -2.634 1.00 0.81 C ATOM 525 CZ PHE A 50 -16.078 8.175 -2.385 1.00 0.66 C ATOM 0 H PHE A 50 -13.040 6.575 0.809 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.118 4.700 0.974 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -12.842 4.991 -1.018 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.233 3.951 -1.254 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -16.533 5.422 -0.508 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -12.969 6.888 -2.318 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -17.785 7.320 -1.428 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -14.218 8.794 -3.232 1.00 0.81 H new ATOM 0 HZ PHE A 50 -16.627 9.013 -2.787 1.00 0.66 H new ATOM 535 N TYR A 51 -12.101 3.459 1.390 1.00 0.23 N ATOM 536 CA TYR A 51 -11.400 2.279 1.871 1.00 0.25 C ATOM 537 C TYR A 51 -11.822 1.945 3.291 1.00 0.21 C ATOM 538 O TYR A 51 -12.003 0.779 3.631 1.00 0.23 O ATOM 539 CB TYR A 51 -9.887 2.462 1.787 1.00 0.31 C ATOM 540 CG TYR A 51 -9.382 2.509 0.367 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.752 1.528 -0.546 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.554 3.533 -0.068 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.308 1.568 -1.851 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.108 3.581 -1.373 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.488 2.594 -2.259 1.00 0.72 C ATOM 546 OH TYR A 51 -8.053 2.640 -3.561 1.00 0.88 O ATOM 0 H TYR A 51 -11.505 4.266 1.208 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.672 1.444 1.226 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.608 3.384 2.298 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.397 1.644 2.315 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.397 0.722 -0.228 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.254 4.305 0.625 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.603 0.798 -2.549 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.466 4.386 -1.699 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.086 2.483 -3.589 1.00 0.88 H new ATOM 556 N SER A 52 -12.015 2.971 4.106 1.00 0.20 N ATOM 557 CA SER A 52 -12.476 2.775 5.466 1.00 0.22 C ATOM 558 C SER A 52 -13.874 2.173 5.447 1.00 0.22 C ATOM 559 O SER A 52 -14.150 1.197 6.140 1.00 0.23 O ATOM 560 CB SER A 52 -12.467 4.101 6.227 1.00 0.25 C ATOM 561 OG SER A 52 -11.172 4.683 6.216 1.00 0.56 O ATOM 0 H SER A 52 -11.859 3.945 3.847 1.00 0.20 H new ATOM 0 HA SER A 52 -11.803 2.088 5.979 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.183 4.788 5.776 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.787 3.937 7.256 1.00 0.25 H new ATOM 0 HG SER A 52 -10.935 4.937 5.300 1.00 0.56 H new ATOM 567 N GLN A 53 -14.735 2.741 4.605 1.00 0.24 N ATOM 568 CA GLN A 53 -16.093 2.242 4.430 1.00 0.27 C ATOM 569 C GLN A 53 -16.080 0.791 3.959 1.00 0.26 C ATOM 570 O GLN A 53 -16.930 -0.005 4.344 1.00 0.30 O ATOM 571 CB GLN A 53 -16.852 3.110 3.425 1.00 0.31 C ATOM 572 CG GLN A 53 -17.129 4.520 3.907 1.00 0.37 C ATOM 573 CD GLN A 53 -18.045 5.279 2.968 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.466 5.928 1.972 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.267 5.269 3.126 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.511 3.553 4.030 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.599 2.289 5.394 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.279 3.160 2.499 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.800 2.627 3.187 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.580 4.481 4.898 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.187 5.059 4.007 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -19.676 4.756 3.907 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -19.869 5.773 2.476 1.00 0.94 H new ATOM 584 N ALA A 54 -15.096 0.450 3.137 1.00 0.23 N ATOM 585 CA ALA A 54 -14.940 -0.915 2.650 1.00 0.24 C ATOM 586 C ALA A 54 -14.583 -1.862 3.789 1.00 0.23 C ATOM 587 O ALA A 54 -14.890 -3.050 3.739 1.00 0.25 O ATOM 588 CB ALA A 54 -13.882 -0.967 1.561 1.00 0.25 C ATOM 0 H ALA A 54 -14.392 1.102 2.792 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.892 -1.239 2.229 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.775 -1.992 1.206 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.181 -0.325 0.732 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.929 -0.621 1.962 1.00 0.25 H new ATOM 594 N ILE A 55 -13.944 -1.317 4.818 1.00 0.22 N ATOM 595 CA ILE A 55 -13.590 -2.081 6.012 1.00 0.22 C ATOM 596 C ILE A 55 -14.754 -2.081 6.998 1.00 0.24 C ATOM 597 O ILE A 55 -14.750 -2.782 8.012 1.00 0.27 O ATOM 598 CB ILE A 55 -12.342 -1.489 6.693 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.220 -1.326 5.675 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.882 -2.377 7.840 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.152 -0.356 6.115 1.00 0.28 C ATOM 0 H ILE A 55 -13.657 -0.339 4.850 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.370 -3.104 5.706 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.601 -0.511 7.098 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.764 -2.298 5.489 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.643 -0.986 4.730 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -10.999 -1.940 8.307 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.680 -2.460 8.578 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.637 -3.368 7.457 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.384 -0.287 5.345 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.596 0.627 6.274 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.703 -0.706 7.045 1.00 0.28 H new ATOM 613 N GLU A 56 -15.746 -1.270 6.708 1.00 0.27 N ATOM 614 CA GLU A 56 -16.973 -1.279 7.480 1.00 0.31 C ATOM 615 C GLU A 56 -17.950 -2.263 6.853 1.00 0.31 C ATOM 616 O GLU A 56 -18.923 -2.688 7.478 1.00 0.34 O ATOM 617 CB GLU A 56 -17.576 0.125 7.513 1.00 0.34 C ATOM 618 CG GLU A 56 -16.565 1.207 7.852 1.00 0.36 C ATOM 619 CD GLU A 56 -16.131 1.195 9.304 1.00 0.45 C ATOM 620 OE1 GLU A 56 -16.734 0.452 10.110 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.184 1.930 9.651 1.00 0.81 O ATOM 0 H GLU A 56 -15.730 -0.595 5.944 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.762 -1.588 8.504 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.021 0.345 6.542 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.383 0.149 8.246 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.687 1.085 7.218 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -16.995 2.181 7.617 1.00 0.36 H new ATOM 628 N LEU A 57 -17.678 -2.613 5.605 1.00 0.31 N ATOM 629 CA LEU A 57 -18.478 -3.589 4.887 1.00 0.33 C ATOM 630 C LEU A 57 -17.820 -4.959 4.983 1.00 0.33 C ATOM 631 O LEU A 57 -18.403 -5.894 5.522 1.00 0.40 O ATOM 632 CB LEU A 57 -18.642 -3.158 3.430 1.00 0.34 C ATOM 633 CG LEU A 57 -19.161 -1.730 3.251 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.230 -1.363 1.787 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.520 -1.562 3.908 1.00 0.40 C ATOM 0 H LEU A 57 -16.901 -2.230 5.066 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.470 -3.651 5.335 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.680 -3.248 2.926 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.327 -3.846 2.935 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.460 -1.054 3.740 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.602 -0.343 1.685 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.235 -1.432 1.347 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.903 -2.048 1.271 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.868 -0.539 3.767 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.231 -2.253 3.455 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.437 -1.774 4.974 1.00 0.40 H new ATOM 647 N ASN A 58 -16.596 -5.068 4.479 1.00 0.29 N ATOM 648 CA ASN A 58 -15.804 -6.267 4.672 1.00 0.30 C ATOM 649 C ASN A 58 -14.908 -6.004 5.880 1.00 0.30 C ATOM 650 O ASN A 58 -14.850 -4.873 6.339 1.00 0.34 O ATOM 651 CB ASN A 58 -14.994 -6.479 3.373 1.00 0.35 C ATOM 652 CG ASN A 58 -14.001 -7.630 3.395 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.858 -7.474 3.813 1.00 1.53 O ATOM 654 ND2 ASN A 58 -14.422 -8.783 2.904 1.00 0.57 N ATOM 0 H ASN A 58 -16.135 -4.339 3.935 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.392 -7.165 4.862 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.693 -6.643 2.553 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.452 -5.560 3.151 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.789 -9.582 2.863 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -15.380 -8.874 2.566 1.00 0.57 H new ATOM 661 N PRO A 59 -14.213 -6.992 6.440 1.00 0.31 N ATOM 662 CA PRO A 59 -13.221 -6.739 7.463 1.00 0.35 C ATOM 663 C PRO A 59 -11.764 -6.944 7.033 1.00 0.35 C ATOM 664 O PRO A 59 -11.095 -6.007 6.596 1.00 0.35 O ATOM 665 CB PRO A 59 -13.657 -7.736 8.516 1.00 0.41 C ATOM 666 CG PRO A 59 -14.227 -8.903 7.745 1.00 0.41 C ATOM 667 CD PRO A 59 -14.468 -8.423 6.326 1.00 0.34 C ATOM 0 HA PRO A 59 -13.196 -5.696 7.778 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.816 -8.047 9.136 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.402 -7.303 9.183 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.536 -9.746 7.755 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.156 -9.248 8.198 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.795 -8.901 5.614 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.485 -8.631 5.993 1.00 0.34 H new ATOM 675 N SER A 60 -11.288 -8.180 7.167 1.00 0.44 N ATOM 676 CA SER A 60 -9.888 -8.503 6.956 1.00 0.49 C ATOM 677 C SER A 60 -9.539 -8.562 5.475 1.00 0.49 C ATOM 678 O SER A 60 -9.444 -9.642 4.888 1.00 0.68 O ATOM 679 CB SER A 60 -9.546 -9.836 7.637 1.00 0.63 C ATOM 680 OG SER A 60 -8.198 -10.212 7.412 1.00 1.52 O ATOM 0 H SER A 60 -11.865 -8.981 7.425 1.00 0.44 H new ATOM 0 HA SER A 60 -9.292 -7.707 7.402 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.726 -9.753 8.709 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.208 -10.616 7.262 1.00 0.63 H new ATOM 0 HG SER A 60 -8.017 -11.064 7.861 1.00 1.52 H new ATOM 686 N ASN A 61 -9.377 -7.401 4.868 1.00 0.43 N ATOM 687 CA ASN A 61 -8.904 -7.331 3.502 1.00 0.45 C ATOM 688 C ASN A 61 -7.679 -6.430 3.425 1.00 0.38 C ATOM 689 O ASN A 61 -7.776 -5.210 3.596 1.00 0.34 O ATOM 690 CB ASN A 61 -10.000 -6.831 2.564 1.00 0.48 C ATOM 691 CG ASN A 61 -9.694 -7.143 1.109 1.00 0.79 C ATOM 692 OD1 ASN A 61 -8.534 -7.168 0.693 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.733 -7.396 0.330 1.00 1.07 N ATOM 0 H ASN A 61 -9.566 -6.496 5.300 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.627 -8.335 3.180 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.950 -7.289 2.840 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.118 -5.754 2.686 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.589 -7.622 -0.654 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -11.678 -7.365 0.714 1.00 1.07 H new ATOM 700 N ALA A 62 -6.531 -7.044 3.167 1.00 0.42 N ATOM 701 CA ALA A 62 -5.262 -6.328 3.115 1.00 0.42 C ATOM 702 C ALA A 62 -5.248 -5.302 1.990 1.00 0.37 C ATOM 703 O ALA A 62 -4.451 -4.371 2.001 1.00 0.38 O ATOM 704 CB ALA A 62 -4.112 -7.306 2.945 1.00 0.52 C ATOM 0 H ALA A 62 -6.453 -8.045 2.989 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.141 -5.795 4.058 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.171 -6.758 2.908 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.096 -7.998 3.787 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.243 -7.865 2.018 1.00 0.52 H new ATOM 710 N ILE A 63 -6.135 -5.475 1.023 1.00 0.36 N ATOM 711 CA ILE A 63 -6.244 -4.547 -0.094 1.00 0.35 C ATOM 712 C ILE A 63 -6.785 -3.200 0.371 1.00 0.31 C ATOM 713 O ILE A 63 -6.276 -2.144 -0.010 1.00 0.34 O ATOM 714 CB ILE A 63 -7.152 -5.128 -1.200 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.497 -6.369 -1.800 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.436 -4.092 -2.279 1.00 0.49 C ATOM 717 CD1 ILE A 63 -5.162 -6.078 -2.432 1.00 0.74 C ATOM 0 H ILE A 63 -6.793 -6.253 0.988 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.245 -4.398 -0.504 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.107 -5.408 -0.756 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.368 -7.119 -1.020 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -7.162 -6.799 -2.549 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.077 -4.530 -3.044 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.936 -3.232 -1.835 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.498 -3.772 -2.732 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.745 -6.998 -2.841 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -5.290 -5.350 -3.233 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.484 -5.675 -1.680 1.00 0.74 H new ATOM 729 N TYR A 64 -7.796 -3.243 1.226 1.00 0.29 N ATOM 730 CA TYR A 64 -8.439 -2.027 1.695 1.00 0.28 C ATOM 731 C TYR A 64 -7.526 -1.275 2.649 1.00 0.30 C ATOM 732 O TYR A 64 -7.349 -0.066 2.524 1.00 0.34 O ATOM 733 CB TYR A 64 -9.770 -2.347 2.371 1.00 0.26 C ATOM 734 CG TYR A 64 -10.751 -3.068 1.471 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.762 -2.846 0.098 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.657 -3.979 1.993 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.649 -3.511 -0.725 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.546 -4.650 1.176 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.538 -4.413 -0.182 1.00 0.35 C ATOM 740 OH TYR A 64 -13.418 -5.085 -0.999 1.00 0.42 O ATOM 0 H TYR A 64 -8.187 -4.104 1.608 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.637 -1.391 0.832 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.582 -2.959 3.253 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.224 -1.419 2.718 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.065 -2.142 -0.332 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.668 -4.167 3.056 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.646 -3.325 -1.789 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.244 -5.357 1.599 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.974 -5.684 -0.458 1.00 0.42 H new ATOM 750 N TYR A 65 -6.929 -2.005 3.586 1.00 0.30 N ATOM 751 CA TYR A 65 -5.979 -1.411 4.520 1.00 0.32 C ATOM 752 C TYR A 65 -4.699 -0.995 3.799 1.00 0.33 C ATOM 753 O TYR A 65 -4.088 0.020 4.127 1.00 0.37 O ATOM 754 CB TYR A 65 -5.654 -2.389 5.657 1.00 0.34 C ATOM 755 CG TYR A 65 -6.636 -2.335 6.810 1.00 0.36 C ATOM 756 CD1 TYR A 65 -6.467 -1.406 7.827 1.00 0.51 C ATOM 757 CD2 TYR A 65 -7.724 -3.198 6.884 1.00 0.37 C ATOM 758 CE1 TYR A 65 -7.350 -1.334 8.886 1.00 0.58 C ATOM 759 CE2 TYR A 65 -8.616 -3.131 7.941 1.00 0.40 C ATOM 760 CZ TYR A 65 -8.423 -2.194 8.939 1.00 0.47 C ATOM 761 OH TYR A 65 -9.307 -2.110 9.992 1.00 0.55 O ATOM 0 H TYR A 65 -7.085 -3.004 3.718 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.439 -0.521 4.949 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.633 -3.403 5.257 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.654 -2.174 6.033 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -5.629 -0.726 7.789 1.00 0.51 H new ATOM 0 HD2 TYR A 65 -7.875 -3.931 6.106 1.00 0.37 H new ATOM 0 HE1 TYR A 65 -7.199 -0.606 9.669 1.00 0.58 H new ATOM 0 HE2 TYR A 65 -9.457 -3.807 7.985 1.00 0.40 H new ATOM 0 HH TYR A 65 -9.344 -1.185 10.315 1.00 0.55 H new ATOM 771 N GLY A 66 -4.319 -1.771 2.797 1.00 0.35 N ATOM 772 CA GLY A 66 -3.094 -1.512 2.074 1.00 0.41 C ATOM 773 C GLY A 66 -3.155 -0.242 1.258 1.00 0.43 C ATOM 774 O GLY A 66 -2.264 0.602 1.344 1.00 0.51 O ATOM 0 H GLY A 66 -4.843 -2.583 2.470 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.267 -1.445 2.781 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.882 -2.353 1.414 1.00 0.41 H new ATOM 778 N ASN A 67 -4.206 -0.077 0.472 1.00 0.44 N ATOM 779 CA ASN A 67 -4.290 1.090 -0.386 1.00 0.57 C ATOM 780 C ASN A 67 -4.824 2.296 0.379 1.00 0.41 C ATOM 781 O ASN A 67 -4.692 3.433 -0.079 1.00 0.38 O ATOM 782 CB ASN A 67 -5.135 0.820 -1.626 1.00 0.84 C ATOM 783 CG ASN A 67 -4.839 1.822 -2.728 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.501 2.851 -2.856 1.00 2.28 O ATOM 785 ND2 ASN A 67 -3.813 1.547 -3.513 1.00 1.35 N ATOM 0 H ASN A 67 -4.995 -0.720 0.411 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.278 1.318 -0.720 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -4.940 -0.189 -1.988 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.192 0.866 -1.365 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -3.548 2.197 -4.253 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -3.285 0.684 -3.379 1.00 1.35 H new ATOM 792 N ARG A 68 -5.421 2.064 1.547 1.00 0.39 N ATOM 793 CA ARG A 68 -5.762 3.174 2.423 1.00 0.39 C ATOM 794 C ARG A 68 -4.485 3.713 3.039 1.00 0.31 C ATOM 795 O ARG A 68 -4.316 4.924 3.178 1.00 0.32 O ATOM 796 CB ARG A 68 -6.751 2.787 3.524 1.00 0.53 C ATOM 797 CG ARG A 68 -7.212 3.995 4.327 1.00 0.80 C ATOM 798 CD ARG A 68 -8.248 3.639 5.377 1.00 0.48 C ATOM 799 NE ARG A 68 -7.698 2.823 6.456 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.348 2.550 7.588 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.571 3.029 7.796 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.770 1.813 8.521 1.00 1.87 N ATOM 0 H ARG A 68 -5.672 1.140 1.899 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.257 3.935 1.820 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.616 2.297 3.078 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.284 2.064 4.193 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.351 4.453 4.813 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.629 4.739 3.649 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.665 4.555 5.796 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.070 3.102 4.903 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.761 2.439 6.337 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -10.019 3.610 7.087 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -10.061 2.816 8.665 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.827 1.453 8.375 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.267 1.604 9.387 1.00 1.87 H new ATOM 816 N SER A 69 -3.586 2.799 3.394 1.00 0.31 N ATOM 817 CA SER A 69 -2.230 3.162 3.769 1.00 0.32 C ATOM 818 C SER A 69 -1.627 4.053 2.696 1.00 0.27 C ATOM 819 O SER A 69 -1.028 5.087 2.992 1.00 0.27 O ATOM 820 CB SER A 69 -1.372 1.909 3.949 1.00 0.43 C ATOM 821 OG SER A 69 0.000 2.240 4.070 1.00 1.16 O ATOM 0 H SER A 69 -3.777 1.798 3.429 1.00 0.31 H new ATOM 0 HA SER A 69 -2.258 3.702 4.716 1.00 0.32 H new ATOM 0 HB2 SER A 69 -1.698 1.367 4.837 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.514 1.242 3.098 1.00 0.43 H new ATOM 0 HG SER A 69 0.240 2.296 5.018 1.00 1.16 H new ATOM 827 N LEU A 70 -1.805 3.656 1.441 1.00 0.28 N ATOM 828 CA LEU A 70 -1.355 4.472 0.328 1.00 0.31 C ATOM 829 C LEU A 70 -2.040 5.825 0.344 1.00 0.31 C ATOM 830 O LEU A 70 -1.387 6.832 0.182 1.00 0.38 O ATOM 831 CB LEU A 70 -1.604 3.796 -1.011 1.00 0.36 C ATOM 832 CG LEU A 70 -0.949 4.515 -2.185 1.00 0.46 C ATOM 833 CD1 LEU A 70 0.539 4.208 -2.237 1.00 1.25 C ATOM 834 CD2 LEU A 70 -1.640 4.165 -3.487 1.00 1.16 C ATOM 0 H LEU A 70 -2.255 2.780 1.174 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.280 4.605 0.448 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.231 2.773 -0.968 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.678 3.736 -1.185 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.060 5.589 -2.038 1.00 0.46 H new ATOM 0 HD11 LEU A 70 0.989 4.730 -3.081 1.00 1.25 H new ATOM 0 HD12 LEU A 70 1.011 4.539 -1.312 1.00 1.25 H new ATOM 0 HD13 LEU A 70 0.685 3.134 -2.355 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -1.154 4.690 -4.309 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -1.576 3.090 -3.655 1.00 1.16 H new ATOM 0 HD23 LEU A 70 -2.687 4.463 -3.435 1.00 1.16 H new ATOM 846 N ALA A 71 -3.353 5.842 0.516 1.00 0.26 N ATOM 847 CA ALA A 71 -4.117 7.081 0.577 1.00 0.30 C ATOM 848 C ALA A 71 -3.557 8.005 1.648 1.00 0.29 C ATOM 849 O ALA A 71 -3.476 9.222 1.460 1.00 0.36 O ATOM 850 CB ALA A 71 -5.580 6.774 0.834 1.00 0.32 C ATOM 0 H ALA A 71 -3.919 5.000 0.617 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.034 7.594 -0.381 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.145 7.705 0.878 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -5.968 6.152 0.028 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.680 6.244 1.781 1.00 0.32 H new ATOM 856 N TYR A 72 -3.169 7.416 2.765 1.00 0.25 N ATOM 857 CA TYR A 72 -2.456 8.135 3.798 1.00 0.25 C ATOM 858 C TYR A 72 -1.117 8.644 3.262 1.00 0.26 C ATOM 859 O TYR A 72 -0.793 9.813 3.415 1.00 0.30 O ATOM 860 CB TYR A 72 -2.248 7.240 5.015 1.00 0.25 C ATOM 861 CG TYR A 72 -3.496 7.049 5.853 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.165 8.140 6.396 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.004 5.780 6.106 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.301 7.972 7.165 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.139 5.604 6.874 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.783 6.703 7.401 1.00 0.43 C ATOM 867 OH TYR A 72 -6.914 6.533 8.168 1.00 0.52 O ATOM 0 H TYR A 72 -3.339 6.433 2.978 1.00 0.25 H new ATOM 0 HA TYR A 72 -3.051 8.996 4.103 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.893 6.265 4.681 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.464 7.668 5.640 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.790 9.136 6.214 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.503 4.916 5.695 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.808 8.831 7.579 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.520 4.611 7.060 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.122 5.578 8.237 1.00 0.52 H new ATOM 877 N LEU A 73 -0.356 7.764 2.619 1.00 0.26 N ATOM 878 CA LEU A 73 0.898 8.145 1.959 1.00 0.30 C ATOM 879 C LEU A 73 0.684 9.317 1.004 1.00 0.37 C ATOM 880 O LEU A 73 1.454 10.276 0.986 1.00 0.50 O ATOM 881 CB LEU A 73 1.462 6.953 1.179 1.00 0.31 C ATOM 882 CG LEU A 73 2.104 5.863 2.034 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.374 4.612 1.211 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.394 6.376 2.633 1.00 0.43 C ATOM 0 H LEU A 73 -0.584 6.773 2.538 1.00 0.26 H new ATOM 0 HA LEU A 73 1.605 8.450 2.731 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.657 6.507 0.595 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.204 7.321 0.470 1.00 0.31 H new ATOM 0 HG LEU A 73 1.411 5.601 2.834 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.831 3.852 1.844 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.435 4.232 0.808 1.00 0.33 H new ATOM 0 HD13 LEU A 73 3.049 4.855 0.390 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.848 5.595 3.242 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.080 6.658 1.834 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.185 7.246 3.255 1.00 0.43 H new ATOM 896 N ARG A 74 -0.388 9.224 0.232 1.00 0.38 N ATOM 897 CA ARG A 74 -0.758 10.225 -0.756 1.00 0.48 C ATOM 898 C ARG A 74 -1.043 11.573 -0.100 1.00 0.53 C ATOM 899 O ARG A 74 -0.847 12.622 -0.708 1.00 0.67 O ATOM 900 CB ARG A 74 -1.992 9.747 -1.533 1.00 0.51 C ATOM 901 CG ARG A 74 -1.694 8.678 -2.575 1.00 0.48 C ATOM 902 CD ARG A 74 -2.507 7.413 -2.375 1.00 1.19 C ATOM 903 NE ARG A 74 -3.941 7.597 -2.611 1.00 1.95 N ATOM 904 CZ ARG A 74 -4.826 6.595 -2.634 1.00 2.78 C ATOM 905 NH1 ARG A 74 -4.430 5.353 -2.401 1.00 3.07 N ATOM 906 NH2 ARG A 74 -6.106 6.837 -2.888 1.00 3.53 N ATOM 0 H ARG A 74 -1.036 8.437 0.276 1.00 0.38 H new ATOM 0 HA ARG A 74 0.079 10.357 -1.441 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.724 9.356 -0.826 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.451 10.603 -2.027 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -1.896 9.080 -3.568 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -0.633 8.431 -2.541 1.00 0.48 H new ATOM 0 HD2 ARG A 74 -2.133 6.640 -3.046 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -2.358 7.052 -1.358 1.00 1.19 H new ATOM 0 HE ARG A 74 -4.284 8.545 -2.767 1.00 1.95 H new ATOM 0 HH11 ARG A 74 -3.448 5.159 -2.203 1.00 3.07 H new ATOM 0 HH12 ARG A 74 -5.107 4.590 -2.419 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -6.419 7.791 -3.067 1.00 3.53 H new ATOM 0 HH22 ARG A 74 -6.777 6.069 -2.904 1.00 3.53 H new ATOM 920 N THR A 75 -1.505 11.533 1.139 1.00 0.48 N ATOM 921 CA THR A 75 -1.811 12.745 1.879 1.00 0.57 C ATOM 922 C THR A 75 -0.697 13.073 2.875 1.00 0.70 C ATOM 923 O THR A 75 -0.873 13.903 3.770 1.00 1.53 O ATOM 924 CB THR A 75 -3.157 12.606 2.618 1.00 0.54 C ATOM 925 OG1 THR A 75 -3.137 11.450 3.462 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.302 12.475 1.628 1.00 0.49 C ATOM 0 H THR A 75 -1.677 10.670 1.655 1.00 0.48 H new ATOM 0 HA THR A 75 -1.887 13.564 1.163 1.00 0.57 H new ATOM 0 HB THR A 75 -3.306 13.502 3.221 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.238 11.060 3.462 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.243 12.378 2.170 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.338 13.361 0.994 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.148 11.592 1.008 1.00 0.49 H new ATOM 934 N GLU A 76 0.451 12.408 2.698 1.00 0.57 N ATOM 935 CA GLU A 76 1.639 12.610 3.535 1.00 0.59 C ATOM 936 C GLU A 76 1.381 12.237 4.993 1.00 0.42 C ATOM 937 O GLU A 76 2.025 12.744 5.909 1.00 0.45 O ATOM 938 CB GLU A 76 2.137 14.047 3.420 1.00 0.86 C ATOM 939 CG GLU A 76 2.667 14.379 2.038 1.00 1.85 C ATOM 940 CD GLU A 76 3.366 15.717 1.991 1.00 2.38 C ATOM 941 OE1 GLU A 76 4.382 15.889 2.693 1.00 2.71 O ATOM 942 OE2 GLU A 76 2.893 16.608 1.255 1.00 2.77 O ATOM 0 H GLU A 76 0.582 11.710 1.965 1.00 0.57 H new ATOM 0 HA GLU A 76 2.417 11.942 3.166 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.323 14.729 3.665 1.00 0.86 H new ATOM 0 HB3 GLU A 76 2.924 14.213 4.155 1.00 0.86 H new ATOM 0 HG2 GLU A 76 3.360 13.600 1.722 1.00 1.85 H new ATOM 0 HG3 GLU A 76 1.841 14.379 1.326 1.00 1.85 H new ATOM 949 N CYS A 77 0.474 11.301 5.173 1.00 0.32 N ATOM 950 CA CYS A 77 0.084 10.799 6.483 1.00 0.32 C ATOM 951 C CYS A 77 0.795 9.494 6.808 1.00 0.32 C ATOM 952 O CYS A 77 0.194 8.593 7.399 1.00 0.35 O ATOM 953 CB CYS A 77 -1.416 10.571 6.531 1.00 0.33 C ATOM 954 SG CYS A 77 -2.409 12.062 6.301 1.00 0.37 S ATOM 0 H CYS A 77 -0.025 10.856 4.402 1.00 0.32 H new ATOM 0 HA CYS A 77 0.370 11.548 7.222 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.686 9.848 5.761 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.672 10.124 7.492 1.00 0.33 H new ATOM 0 HG CYS A 77 -2.973 12.032 5.130 1.00 0.37 H new ATOM 960 N TYR A 78 2.052 9.385 6.385 1.00 0.34 N ATOM 961 CA TYR A 78 2.830 8.147 6.509 1.00 0.38 C ATOM 962 C TYR A 78 2.714 7.500 7.898 1.00 0.41 C ATOM 963 O TYR A 78 2.865 6.286 8.024 1.00 0.43 O ATOM 964 CB TYR A 78 4.309 8.391 6.213 1.00 0.44 C ATOM 965 CG TYR A 78 4.624 9.662 5.454 1.00 0.42 C ATOM 966 CD1 TYR A 78 4.250 9.828 4.125 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.331 10.686 6.069 1.00 0.54 C ATOM 968 CE1 TYR A 78 4.573 10.984 3.434 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.663 11.839 5.386 1.00 0.66 C ATOM 970 CZ TYR A 78 5.284 11.986 4.070 1.00 0.66 C ATOM 971 OH TYR A 78 5.624 13.133 3.388 1.00 0.84 O ATOM 0 H TYR A 78 2.563 10.151 5.946 1.00 0.34 H new ATOM 0 HA TYR A 78 2.405 7.463 5.774 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.852 8.410 7.158 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.691 7.544 5.643 1.00 0.44 H new ATOM 0 HD1 TYR A 78 3.700 9.045 3.625 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.627 10.579 7.102 1.00 0.54 H new ATOM 0 HE1 TYR A 78 4.271 11.103 2.404 1.00 0.66 H new ATOM 0 HE2 TYR A 78 6.217 12.622 5.881 1.00 0.66 H new ATOM 0 HH TYR A 78 4.889 13.779 3.447 1.00 0.84 H new ATOM 981 N GLY A 79 2.474 8.304 8.931 1.00 0.43 N ATOM 982 CA GLY A 79 2.247 7.759 10.259 1.00 0.49 C ATOM 983 C GLY A 79 1.098 6.764 10.269 1.00 0.42 C ATOM 984 O GLY A 79 1.275 5.599 10.647 1.00 0.42 O ATOM 0 H GLY A 79 2.433 9.321 8.872 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.155 7.270 10.612 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.032 8.571 10.954 1.00 0.49 H new ATOM 988 N TYR A 80 -0.076 7.217 9.831 1.00 0.38 N ATOM 989 CA TYR A 80 -1.224 6.333 9.669 1.00 0.36 C ATOM 990 C TYR A 80 -0.906 5.248 8.656 1.00 0.30 C ATOM 991 O TYR A 80 -1.260 4.091 8.847 1.00 0.32 O ATOM 992 CB TYR A 80 -2.456 7.093 9.178 1.00 0.40 C ATOM 993 CG TYR A 80 -3.070 8.048 10.173 1.00 0.56 C ATOM 994 CD1 TYR A 80 -3.944 7.594 11.154 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.807 9.408 10.108 1.00 1.06 C ATOM 996 CE1 TYR A 80 -4.534 8.472 12.041 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.389 10.289 10.994 1.00 1.34 C ATOM 998 CZ TYR A 80 -4.253 9.818 11.956 1.00 1.29 C ATOM 999 OH TYR A 80 -4.840 10.697 12.838 1.00 1.70 O ATOM 0 H TYR A 80 -0.255 8.190 9.583 1.00 0.38 H new ATOM 0 HA TYR A 80 -1.437 5.900 10.646 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -2.183 7.653 8.284 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -3.214 6.368 8.881 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -4.165 6.539 11.223 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -2.135 9.783 9.350 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -5.212 8.106 12.797 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.168 11.344 10.933 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.536 11.608 12.643 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.229 5.646 7.583 1.00 0.28 N ATOM 1010 CA ALA A 81 0.101 4.743 6.486 1.00 0.28 C ATOM 1011 C ALA A 81 0.875 3.526 6.974 1.00 0.29 C ATOM 1012 O ALA A 81 0.483 2.394 6.710 1.00 0.33 O ATOM 1013 CB ALA A 81 0.899 5.477 5.422 1.00 0.31 C ATOM 0 H ALA A 81 0.105 6.600 7.450 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.836 4.391 6.054 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.139 4.791 4.609 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.310 6.308 5.034 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.822 5.859 5.858 1.00 0.31 H new ATOM 1019 N LEU A 82 1.963 3.765 7.696 1.00 0.30 N ATOM 1020 CA LEU A 82 2.796 2.688 8.212 1.00 0.34 C ATOM 1021 C LEU A 82 1.960 1.769 9.099 1.00 0.32 C ATOM 1022 O LEU A 82 2.032 0.543 8.985 1.00 0.37 O ATOM 1023 CB LEU A 82 3.993 3.278 8.985 1.00 0.42 C ATOM 1024 CG LEU A 82 5.145 2.312 9.327 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.748 1.332 10.411 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.602 1.554 8.093 1.00 0.52 C ATOM 0 H LEU A 82 2.290 4.701 7.938 1.00 0.30 H new ATOM 0 HA LEU A 82 3.187 2.096 7.384 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.403 4.101 8.400 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.619 3.704 9.916 1.00 0.42 H new ATOM 0 HG LEU A 82 5.971 2.918 9.699 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.585 0.668 10.625 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.478 1.879 11.315 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.894 0.743 10.075 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.415 0.879 8.361 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.769 0.977 7.691 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.950 2.261 7.340 1.00 0.52 H new ATOM 1038 N ASN A 83 1.144 2.369 9.955 1.00 0.32 N ATOM 1039 CA ASN A 83 0.311 1.606 10.879 1.00 0.39 C ATOM 1040 C ASN A 83 -0.747 0.801 10.120 1.00 0.38 C ATOM 1041 O ASN A 83 -0.996 -0.367 10.423 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.355 2.550 11.888 1.00 0.47 C ATOM 1043 CG ASN A 83 -0.991 1.807 13.047 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -0.521 0.744 13.453 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -2.057 2.365 13.597 1.00 2.09 N ATOM 0 H ASN A 83 1.040 3.381 10.030 1.00 0.32 H new ATOM 0 HA ASN A 83 0.947 0.904 11.419 1.00 0.39 H new ATOM 0 HB2 ASN A 83 0.388 3.248 12.273 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.116 3.142 11.379 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -2.519 1.913 14.386 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -2.417 3.247 13.232 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.336 1.427 9.111 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.408 0.815 8.331 1.00 0.45 C ATOM 1054 C ASP A 84 -1.863 -0.295 7.439 1.00 0.42 C ATOM 1055 O ASP A 84 -2.461 -1.366 7.317 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.108 1.882 7.482 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.600 1.652 7.382 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.213 1.308 8.416 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.175 1.854 6.294 1.00 1.19 O ATOM 0 H ASP A 84 -1.087 2.369 8.809 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.130 0.375 9.019 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.923 2.865 7.914 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.676 1.887 6.481 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.705 -0.042 6.839 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.049 -1.022 5.982 1.00 0.43 C ATOM 1066 C ALA A 85 0.393 -2.233 6.787 1.00 0.42 C ATOM 1067 O ALA A 85 0.299 -3.368 6.323 1.00 0.42 O ATOM 1068 CB ALA A 85 1.144 -0.400 5.276 1.00 0.48 C ATOM 0 H ALA A 85 -0.199 0.839 6.931 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.769 -1.349 5.232 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.621 -1.147 4.641 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.809 0.437 4.663 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.860 -0.043 6.017 1.00 0.48 H new ATOM 1074 N THR A 86 0.871 -1.988 8.000 1.00 0.42 N ATOM 1075 CA THR A 86 1.257 -3.070 8.890 1.00 0.44 C ATOM 1076 C THR A 86 0.038 -3.913 9.247 1.00 0.43 C ATOM 1077 O THR A 86 0.143 -5.122 9.429 1.00 0.44 O ATOM 1078 CB THR A 86 1.929 -2.534 10.173 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.083 -1.765 9.818 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.344 -3.667 11.104 1.00 0.55 C ATOM 0 H THR A 86 1.000 -1.053 8.387 1.00 0.42 H new ATOM 0 HA THR A 86 1.984 -3.692 8.368 1.00 0.44 H new ATOM 0 HB THR A 86 1.205 -1.912 10.699 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.813 -1.013 9.251 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.813 -3.252 11.996 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.464 -4.243 11.391 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.052 -4.318 10.591 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.126 -3.274 9.304 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.363 -3.992 9.566 1.00 0.43 C ATOM 1090 C ARG A 87 -2.703 -4.908 8.392 1.00 0.39 C ATOM 1091 O ARG A 87 -3.258 -5.987 8.582 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.520 -3.029 9.844 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.792 -3.736 10.292 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.554 -4.536 11.563 1.00 0.71 C ATOM 1095 NE ARG A 87 -5.653 -5.453 11.857 1.00 1.63 N ATOM 1096 CZ ARG A 87 -5.542 -6.507 12.664 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -4.396 -6.758 13.285 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -6.584 -7.304 12.856 1.00 3.28 N ATOM 0 H ARG A 87 -1.236 -2.268 9.173 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.214 -4.600 10.458 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.217 -2.318 10.613 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.730 -2.453 8.943 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.579 -3.002 10.463 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.141 -4.399 9.501 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -3.628 -5.102 11.465 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -4.421 -3.851 12.401 1.00 0.71 H new ATOM 0 HE ARG A 87 -6.557 -5.276 11.419 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -3.595 -6.142 13.145 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -4.317 -7.566 13.902 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -7.468 -7.110 12.386 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -6.501 -8.112 13.473 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.359 -4.485 7.178 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.547 -5.335 6.007 1.00 0.38 C ATOM 1114 C ALA A 88 -1.635 -6.548 6.090 1.00 0.39 C ATOM 1115 O ALA A 88 -2.043 -7.655 5.769 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.288 -4.579 4.720 1.00 0.42 C ATOM 0 H ALA A 88 -1.953 -3.570 6.981 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.587 -5.662 5.998 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.438 -5.245 3.870 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.977 -3.737 4.647 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.262 -4.210 4.715 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.401 -6.322 6.529 1.00 0.42 N ATOM 1123 CA ILE A 89 0.540 -7.410 6.781 1.00 0.47 C ATOM 1124 C ILE A 89 -0.048 -8.395 7.796 1.00 0.47 C ATOM 1125 O ILE A 89 0.193 -9.595 7.730 1.00 0.59 O ATOM 1126 CB ILE A 89 1.892 -6.870 7.314 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.473 -5.807 6.369 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.887 -8.008 7.504 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.774 -6.309 4.978 1.00 1.15 C ATOM 0 H ILE A 89 -0.027 -5.392 6.718 1.00 0.42 H new ATOM 0 HA ILE A 89 0.717 -7.921 5.835 1.00 0.47 H new ATOM 0 HB ILE A 89 1.707 -6.402 8.281 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.770 -4.977 6.299 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.390 -5.412 6.806 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.829 -7.609 7.879 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.487 -8.725 8.220 1.00 0.66 H new ATOM 0 HG23 ILE A 89 3.058 -8.505 6.549 1.00 0.66 H new ATOM 0 HD11 ILE A 89 3.180 -5.495 4.377 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.502 -7.118 5.033 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.857 -6.677 4.518 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.842 -7.871 8.719 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.492 -8.689 9.734 1.00 0.43 C ATOM 1143 C GLU A 90 -2.609 -9.524 9.119 1.00 0.40 C ATOM 1144 O GLU A 90 -2.802 -10.689 9.475 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.065 -7.796 10.834 1.00 0.44 C ATOM 1146 CG GLU A 90 -1.008 -7.049 11.623 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.390 -7.896 12.710 1.00 0.58 C ATOM 1148 OE1 GLU A 90 0.326 -8.863 12.367 1.00 0.73 O ATOM 1149 OE2 GLU A 90 -0.602 -7.600 13.905 1.00 0.82 O ATOM 0 H GLU A 90 -1.053 -6.875 8.786 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.748 -9.361 10.162 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.749 -7.075 10.386 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.652 -8.409 11.518 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.226 -6.708 10.944 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.453 -6.160 12.069 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.336 -8.913 8.195 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.469 -9.557 7.545 1.00 0.39 C ATOM 1158 C LEU A 91 -3.995 -10.507 6.450 1.00 0.43 C ATOM 1159 O LEU A 91 -4.655 -11.499 6.135 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.393 -8.502 6.937 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.837 -7.385 7.884 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.720 -6.392 7.152 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.565 -7.951 9.094 1.00 0.45 C ATOM 0 H LEU A 91 -3.159 -7.961 7.875 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.013 -10.129 8.297 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.887 -8.050 6.084 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.282 -9.002 6.552 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.946 -6.867 8.238 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -7.028 -5.604 7.839 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -6.165 -5.954 6.322 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.603 -6.904 6.768 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.869 -7.135 9.750 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.447 -8.500 8.764 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -5.901 -8.624 9.636 1.00 0.45 H new ATOM 1175 N ASP A 92 -2.848 -10.196 5.875 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.291 -10.980 4.799 1.00 0.53 C ATOM 1177 C ASP A 92 -0.793 -11.011 4.973 1.00 0.56 C ATOM 1178 O ASP A 92 -0.077 -10.165 4.437 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.658 -10.407 3.429 1.00 0.66 C ATOM 1180 CG ASP A 92 -2.554 -11.439 2.325 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -2.392 -12.641 2.635 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -2.662 -11.060 1.142 1.00 2.34 O ATOM 0 H ASP A 92 -2.280 -9.393 6.144 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.704 -11.988 4.838 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.675 -10.016 3.462 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -2.001 -9.568 3.201 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.335 -11.958 5.777 1.00 0.48 N ATOM 1188 CA LYS A 93 1.063 -12.023 6.165 1.00 0.50 C ATOM 1189 C LYS A 93 1.988 -12.049 4.966 1.00 0.55 C ATOM 1190 O LYS A 93 3.064 -11.461 5.013 1.00 0.64 O ATOM 1191 CB LYS A 93 1.319 -13.219 7.066 1.00 0.55 C ATOM 1192 CG LYS A 93 1.030 -12.941 8.528 1.00 0.73 C ATOM 1193 CD LYS A 93 1.905 -11.810 9.052 1.00 1.22 C ATOM 1194 CE LYS A 93 1.647 -11.532 10.524 1.00 1.76 C ATOM 1195 NZ LYS A 93 2.024 -12.686 11.382 1.00 2.61 N ATOM 0 H LYS A 93 -0.916 -12.696 6.175 1.00 0.48 H new ATOM 0 HA LYS A 93 1.283 -11.113 6.723 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.703 -14.054 6.733 1.00 0.55 H new ATOM 0 HB3 LYS A 93 2.359 -13.528 6.961 1.00 0.55 H new ATOM 0 HG2 LYS A 93 -0.021 -12.679 8.651 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.205 -13.843 9.115 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.955 -12.067 8.909 1.00 1.22 H new ATOM 0 HD3 LYS A 93 1.716 -10.906 8.473 1.00 1.22 H new ATOM 0 HE2 LYS A 93 2.212 -10.652 10.831 1.00 1.76 H new ATOM 0 HE3 LYS A 93 0.592 -11.301 10.670 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 2.027 -12.391 12.379 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 1.337 -13.455 11.251 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 2.973 -13.020 11.117 1.00 2.61 H new ATOM 1209 N LYS A 94 1.592 -12.721 3.896 1.00 0.55 N ATOM 1210 CA LYS A 94 2.334 -12.586 2.663 1.00 0.61 C ATOM 1211 C LYS A 94 1.461 -11.958 1.595 1.00 0.60 C ATOM 1212 O LYS A 94 0.647 -12.626 0.959 1.00 0.69 O ATOM 1213 CB LYS A 94 2.860 -13.939 2.174 1.00 0.76 C ATOM 1214 CG LYS A 94 3.782 -14.638 3.160 1.00 0.96 C ATOM 1215 CD LYS A 94 4.330 -15.933 2.583 1.00 1.17 C ATOM 1216 CE LYS A 94 5.392 -15.675 1.522 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.684 -15.236 2.118 1.00 2.11 N ATOM 0 H LYS A 94 0.786 -13.345 3.859 1.00 0.55 H new ATOM 0 HA LYS A 94 3.190 -11.941 2.859 1.00 0.61 H new ATOM 0 HB2 LYS A 94 2.013 -14.591 1.960 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.394 -13.792 1.235 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.608 -13.976 3.421 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.239 -14.849 4.081 1.00 0.96 H new ATOM 0 HD2 LYS A 94 4.756 -16.536 3.385 1.00 1.17 H new ATOM 0 HD3 LYS A 94 3.515 -16.511 2.148 1.00 1.17 H new ATOM 0 HE2 LYS A 94 5.551 -16.583 0.941 1.00 1.41 H new ATOM 0 HE3 LYS A 94 5.035 -14.912 0.830 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 7.406 -15.170 1.372 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 6.562 -14.305 2.565 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 6.988 -15.926 2.834 1.00 2.11 H new ATOM 1231 N TYR A 95 1.657 -10.669 1.398 1.00 0.53 N ATOM 1232 CA TYR A 95 1.102 -9.967 0.262 1.00 0.58 C ATOM 1233 C TYR A 95 2.164 -9.032 -0.283 1.00 0.55 C ATOM 1234 O TYR A 95 2.561 -8.079 0.389 1.00 0.55 O ATOM 1235 CB TYR A 95 -0.169 -9.192 0.615 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.876 -8.664 -0.615 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.037 -9.472 -1.735 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.355 -7.362 -0.673 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.656 -9.002 -2.873 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.971 -6.882 -1.811 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.119 -7.707 -2.909 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.725 -7.231 -4.046 1.00 1.46 O ATOM 0 H TYR A 95 2.207 -10.080 2.023 1.00 0.53 H new ATOM 0 HA TYR A 95 0.811 -10.699 -0.492 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.846 -9.841 1.171 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.085 -8.360 1.271 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.670 -10.487 -1.713 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -1.244 -6.715 0.185 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.777 -9.646 -3.731 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -2.336 -5.866 -1.843 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.416 -7.862 -4.337 1.00 1.46 H new ATOM 1252 N ILE A 96 2.634 -9.316 -1.484 1.00 0.56 N ATOM 1253 CA ILE A 96 3.761 -8.593 -2.058 1.00 0.55 C ATOM 1254 C ILE A 96 3.463 -7.103 -2.200 1.00 0.49 C ATOM 1255 O ILE A 96 4.294 -6.260 -1.858 1.00 0.45 O ATOM 1256 CB ILE A 96 4.164 -9.183 -3.424 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.341 -10.701 -3.315 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.444 -8.538 -3.926 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.281 -11.127 -2.206 1.00 0.83 C ATOM 0 H ILE A 96 2.252 -10.046 -2.086 1.00 0.56 H new ATOM 0 HA ILE A 96 4.596 -8.708 -1.367 1.00 0.55 H new ATOM 0 HB ILE A 96 3.369 -8.974 -4.139 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.367 -11.160 -3.150 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.717 -11.083 -4.264 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.713 -8.967 -4.891 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.292 -7.464 -4.036 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.247 -8.719 -3.212 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.356 -12.214 -2.190 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.268 -10.697 -2.380 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.897 -10.776 -1.248 1.00 0.83 H new ATOM 1271 N LYS A 97 2.270 -6.780 -2.681 1.00 0.54 N ATOM 1272 CA LYS A 97 1.848 -5.387 -2.798 1.00 0.55 C ATOM 1273 C LYS A 97 1.597 -4.777 -1.419 1.00 0.50 C ATOM 1274 O LYS A 97 1.641 -3.560 -1.252 1.00 0.51 O ATOM 1275 CB LYS A 97 0.597 -5.288 -3.675 1.00 0.71 C ATOM 1276 CG LYS A 97 0.896 -5.406 -5.164 1.00 1.28 C ATOM 1277 CD LYS A 97 -0.322 -5.839 -5.973 1.00 1.65 C ATOM 1278 CE LYS A 97 -1.509 -4.898 -5.808 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.199 -3.509 -6.230 1.00 1.59 N ATOM 0 H LYS A 97 1.578 -7.460 -2.996 1.00 0.54 H new ATOM 0 HA LYS A 97 2.649 -4.820 -3.272 1.00 0.55 H new ATOM 0 HB2 LYS A 97 -0.103 -6.073 -3.388 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.103 -4.335 -3.485 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.253 -4.446 -5.537 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.701 -6.125 -5.313 1.00 1.28 H new ATOM 0 HD2 LYS A 97 -0.051 -5.892 -7.027 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.616 -6.843 -5.668 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -2.349 -5.273 -6.393 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -1.823 -4.895 -4.764 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -2.057 -2.926 -6.162 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -0.462 -3.114 -5.611 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -0.860 -3.512 -7.213 1.00 1.59 H new ATOM 1293 N GLY A 98 1.377 -5.635 -0.427 1.00 0.51 N ATOM 1294 CA GLY A 98 1.130 -5.167 0.923 1.00 0.52 C ATOM 1295 C GLY A 98 2.400 -4.663 1.567 1.00 0.43 C ATOM 1296 O GLY A 98 2.430 -3.564 2.121 1.00 0.48 O ATOM 0 H GLY A 98 1.366 -6.649 -0.536 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.387 -4.369 0.904 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.713 -5.977 1.521 1.00 0.52 H new ATOM 1300 N TYR A 99 3.453 -5.475 1.492 1.00 0.35 N ATOM 1301 CA TYR A 99 4.775 -5.059 1.954 1.00 0.29 C ATOM 1302 C TYR A 99 5.181 -3.761 1.265 1.00 0.31 C ATOM 1303 O TYR A 99 5.690 -2.843 1.897 1.00 0.32 O ATOM 1304 CB TYR A 99 5.848 -6.102 1.630 1.00 0.30 C ATOM 1305 CG TYR A 99 5.579 -7.517 2.094 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.296 -7.820 3.424 1.00 0.64 C ATOM 1307 CD2 TYR A 99 5.653 -8.564 1.186 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.087 -9.123 3.823 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.453 -9.866 1.583 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.171 -10.138 2.899 1.00 0.72 C ATOM 1311 OH TYR A 99 4.985 -11.435 3.297 1.00 0.92 O ATOM 0 H TYR A 99 3.416 -6.423 1.116 1.00 0.35 H new ATOM 0 HA TYR A 99 4.706 -4.933 3.034 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.991 -6.119 0.550 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.788 -5.772 2.071 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.240 -7.024 4.152 1.00 0.64 H new ATOM 0 HD2 TYR A 99 5.871 -8.353 0.150 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.859 -9.345 4.855 1.00 0.71 H new ATOM 0 HE2 TYR A 99 5.517 -10.669 0.864 1.00 1.11 H new ATOM 0 HH TYR A 99 4.546 -11.449 4.173 1.00 0.92 H new ATOM 1321 N TYR A 100 4.947 -3.709 -0.047 1.00 0.34 N ATOM 1322 CA TYR A 100 5.346 -2.577 -0.881 1.00 0.37 C ATOM 1323 C TYR A 100 4.749 -1.268 -0.353 1.00 0.39 C ATOM 1324 O TYR A 100 5.411 -0.230 -0.345 1.00 0.42 O ATOM 1325 CB TYR A 100 4.899 -2.830 -2.326 1.00 0.42 C ATOM 1326 CG TYR A 100 5.692 -2.081 -3.381 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.365 -0.777 -3.736 1.00 0.51 C ATOM 1328 CD2 TYR A 100 6.758 -2.692 -4.038 1.00 0.46 C ATOM 1329 CE1 TYR A 100 6.076 -0.103 -4.712 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.469 -2.023 -5.019 1.00 0.55 C ATOM 1331 CZ TYR A 100 7.123 -0.731 -5.349 1.00 0.60 C ATOM 1332 OH TYR A 100 7.820 -0.068 -6.332 1.00 0.73 O ATOM 0 H TYR A 100 4.475 -4.453 -0.561 1.00 0.34 H new ATOM 0 HA TYR A 100 6.431 -2.480 -0.850 1.00 0.37 H new ATOM 0 HB2 TYR A 100 4.969 -3.898 -2.531 1.00 0.42 H new ATOM 0 HB3 TYR A 100 3.848 -2.555 -2.419 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.542 -0.282 -3.241 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.034 -3.703 -3.778 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.811 0.911 -4.973 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.290 -2.511 -5.523 1.00 0.55 H new ATOM 0 HH TYR A 100 7.509 -0.367 -7.212 1.00 0.73 H new ATOM 1342 N ARG A 101 3.496 -1.327 0.095 1.00 0.41 N ATOM 1343 CA ARG A 101 2.836 -0.168 0.698 1.00 0.46 C ATOM 1344 C ARG A 101 3.512 0.215 2.014 1.00 0.43 C ATOM 1345 O ARG A 101 3.762 1.396 2.282 1.00 0.46 O ATOM 1346 CB ARG A 101 1.349 -0.458 0.947 1.00 0.53 C ATOM 1347 CG ARG A 101 0.408 0.019 -0.155 1.00 0.82 C ATOM 1348 CD ARG A 101 0.683 -0.639 -1.499 1.00 1.06 C ATOM 1349 NE ARG A 101 1.689 0.082 -2.282 1.00 1.18 N ATOM 1350 CZ ARG A 101 1.604 0.259 -3.603 1.00 1.58 C ATOM 1351 NH1 ARG A 101 0.586 -0.258 -4.279 1.00 2.34 N ATOM 1352 NH2 ARG A 101 2.534 0.954 -4.247 1.00 1.89 N ATOM 0 H ARG A 101 2.916 -2.165 0.052 1.00 0.41 H new ATOM 0 HA ARG A 101 2.922 0.665 0.000 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.220 -1.533 1.075 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.054 0.012 1.885 1.00 0.53 H new ATOM 0 HG2 ARG A 101 -0.621 -0.186 0.140 1.00 0.82 H new ATOM 0 HG3 ARG A 101 0.500 1.100 -0.261 1.00 0.82 H new ATOM 0 HD2 ARG A 101 1.019 -1.663 -1.336 1.00 1.06 H new ATOM 0 HD3 ARG A 101 -0.244 -0.695 -2.069 1.00 1.06 H new ATOM 0 HE ARG A 101 2.496 0.469 -1.793 1.00 1.18 H new ATOM 0 HH11 ARG A 101 -0.133 -0.791 -3.790 1.00 2.34 H new ATOM 0 HH12 ARG A 101 0.522 -0.122 -5.288 1.00 2.34 H new ATOM 0 HH21 ARG A 101 3.318 1.356 -3.733 1.00 1.89 H new ATOM 0 HH22 ARG A 101 2.464 1.086 -5.256 1.00 1.89 H new ATOM 1366 N ARG A 102 3.824 -0.791 2.824 1.00 0.41 N ATOM 1367 CA ARG A 102 4.432 -0.565 4.130 1.00 0.43 C ATOM 1368 C ARG A 102 5.847 -0.021 3.966 1.00 0.37 C ATOM 1369 O ARG A 102 6.279 0.864 4.708 1.00 0.38 O ATOM 1370 CB ARG A 102 4.462 -1.864 4.936 1.00 0.52 C ATOM 1371 CG ARG A 102 4.540 -1.644 6.437 1.00 0.87 C ATOM 1372 CD ARG A 102 4.681 -2.956 7.187 1.00 1.12 C ATOM 1373 NE ARG A 102 6.043 -3.476 7.131 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.697 -3.965 8.180 1.00 2.58 C ATOM 1375 NH1 ARG A 102 6.124 -3.993 9.377 1.00 2.78 N ATOM 1376 NH2 ARG A 102 7.940 -4.404 8.033 1.00 3.57 N ATOM 0 H ARG A 102 3.665 -1.773 2.598 1.00 0.41 H new ATOM 0 HA ARG A 102 3.832 0.168 4.669 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.568 -2.445 4.708 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.318 -2.459 4.619 1.00 0.52 H new ATOM 0 HG2 ARG A 102 5.388 -1.000 6.667 1.00 0.87 H new ATOM 0 HG3 ARG A 102 3.644 -1.125 6.776 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.391 -2.811 8.228 1.00 1.12 H new ATOM 0 HD3 ARG A 102 3.995 -3.690 6.764 1.00 1.12 H new ATOM 0 HE ARG A 102 6.523 -3.464 6.231 1.00 1.87 H new ATOM 0 HH11 ARG A 102 5.175 -3.638 9.497 1.00 2.78 H new ATOM 0 HH12 ARG A 102 6.632 -4.370 10.177 1.00 2.78 H new ATOM 0 HH21 ARG A 102 8.390 -4.365 7.118 1.00 3.57 H new ATOM 0 HH22 ARG A 102 8.446 -4.780 8.835 1.00 3.57 H new ATOM 1390 N ALA A 103 6.551 -0.552 2.976 1.00 0.34 N ATOM 1391 CA ALA A 103 7.899 -0.113 2.655 1.00 0.32 C ATOM 1392 C ALA A 103 7.916 1.364 2.294 1.00 0.33 C ATOM 1393 O ALA A 103 8.818 2.096 2.690 1.00 0.35 O ATOM 1394 CB ALA A 103 8.460 -0.938 1.512 1.00 0.33 C ATOM 0 H ALA A 103 6.203 -1.298 2.374 1.00 0.34 H new ATOM 0 HA ALA A 103 8.524 -0.257 3.536 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.470 -0.600 1.281 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.486 -1.989 1.800 1.00 0.33 H new ATOM 0 HB3 ALA A 103 7.827 -0.819 0.633 1.00 0.33 H new ATOM 1400 N ALA A 104 6.901 1.803 1.559 1.00 0.33 N ATOM 1401 CA ALA A 104 6.808 3.190 1.144 1.00 0.35 C ATOM 1402 C ALA A 104 6.571 4.078 2.352 1.00 0.35 C ATOM 1403 O ALA A 104 7.047 5.213 2.410 1.00 0.38 O ATOM 1404 CB ALA A 104 5.698 3.365 0.122 1.00 0.39 C ATOM 0 H ALA A 104 6.132 1.214 1.240 1.00 0.33 H new ATOM 0 HA ALA A 104 7.748 3.482 0.677 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.642 4.411 -0.179 1.00 0.39 H new ATOM 0 HB2 ALA A 104 5.907 2.747 -0.751 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.748 3.062 0.562 1.00 0.39 H new ATOM 1410 N SER A 105 5.852 3.541 3.328 1.00 0.34 N ATOM 1411 CA SER A 105 5.596 4.254 4.564 1.00 0.36 C ATOM 1412 C SER A 105 6.889 4.395 5.365 1.00 0.34 C ATOM 1413 O SER A 105 7.223 5.485 5.828 1.00 0.33 O ATOM 1414 CB SER A 105 4.525 3.531 5.380 1.00 0.40 C ATOM 1415 OG SER A 105 3.361 3.293 4.604 1.00 0.64 O ATOM 0 H SER A 105 5.436 2.611 3.284 1.00 0.34 H new ATOM 0 HA SER A 105 5.227 5.252 4.329 1.00 0.36 H new ATOM 0 HB2 SER A 105 4.921 2.584 5.746 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.266 4.128 6.255 1.00 0.40 H new ATOM 0 HG SER A 105 3.558 2.625 3.915 1.00 0.64 H new ATOM 1421 N ASN A 106 7.625 3.292 5.495 1.00 0.36 N ATOM 1422 CA ASN A 106 8.919 3.300 6.176 1.00 0.37 C ATOM 1423 C ASN A 106 9.899 4.225 5.462 1.00 0.36 C ATOM 1424 O ASN A 106 10.604 5.008 6.099 1.00 0.37 O ATOM 1425 CB ASN A 106 9.502 1.883 6.247 1.00 0.40 C ATOM 1426 CG ASN A 106 8.994 1.091 7.437 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.747 1.648 8.505 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.834 -0.215 7.265 1.00 1.32 N ATOM 0 H ASN A 106 7.346 2.379 5.136 1.00 0.36 H new ATOM 0 HA ASN A 106 8.762 3.669 7.190 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.255 1.348 5.330 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.589 1.946 6.297 1.00 0.40 H new ATOM 0 HD21 ASN A 106 8.495 -0.793 8.034 1.00 1.32 H new ATOM 0 HD22 ASN A 106 9.050 -0.641 6.364 1.00 1.32 H new ATOM 1435 N MET A 107 9.920 4.132 4.137 1.00 0.38 N ATOM 1436 CA MET A 107 10.815 4.934 3.307 1.00 0.40 C ATOM 1437 C MET A 107 10.545 6.422 3.516 1.00 0.40 C ATOM 1438 O MET A 107 11.467 7.218 3.691 1.00 0.45 O ATOM 1439 CB MET A 107 10.610 4.567 1.833 1.00 0.46 C ATOM 1440 CG MET A 107 11.883 4.559 1.002 1.00 0.44 C ATOM 1441 SD MET A 107 12.663 6.176 0.869 1.00 1.26 S ATOM 1442 CE MET A 107 14.055 5.767 -0.177 1.00 0.70 C ATOM 0 H MET A 107 9.319 3.500 3.608 1.00 0.38 H new ATOM 0 HA MET A 107 11.846 4.726 3.593 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.149 3.581 1.778 1.00 0.46 H new ATOM 0 HB3 MET A 107 9.907 5.273 1.390 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.591 3.858 1.443 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.652 4.192 0.002 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.962 5.722 0.426 1.00 0.70 H new ATOM 0 HE2 MET A 107 13.884 4.799 -0.648 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.168 6.530 -0.947 1.00 0.70 H new ATOM 1452 N ALA A 108 9.268 6.783 3.518 1.00 0.36 N ATOM 1453 CA ALA A 108 8.855 8.170 3.679 1.00 0.38 C ATOM 1454 C ALA A 108 9.170 8.689 5.083 1.00 0.39 C ATOM 1455 O ALA A 108 9.520 9.858 5.259 1.00 0.43 O ATOM 1456 CB ALA A 108 7.373 8.304 3.377 1.00 0.38 C ATOM 0 H ALA A 108 8.495 6.127 3.409 1.00 0.36 H new ATOM 0 HA ALA A 108 9.419 8.779 2.973 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.069 9.344 3.499 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.181 7.988 2.352 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.804 7.677 4.063 1.00 0.38 H new ATOM 1462 N LEU A 109 9.049 7.817 6.077 1.00 0.38 N ATOM 1463 CA LEU A 109 9.328 8.188 7.463 1.00 0.40 C ATOM 1464 C LEU A 109 10.815 8.448 7.680 1.00 0.43 C ATOM 1465 O LEU A 109 11.195 9.248 8.537 1.00 0.65 O ATOM 1466 CB LEU A 109 8.856 7.087 8.416 1.00 0.38 C ATOM 1467 CG LEU A 109 7.341 6.894 8.494 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.004 5.683 9.350 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.674 8.144 9.051 1.00 0.82 C ATOM 0 H LEU A 109 8.760 6.847 5.951 1.00 0.38 H new ATOM 0 HA LEU A 109 8.783 9.108 7.673 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.310 6.145 8.109 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.229 7.310 9.416 1.00 0.38 H new ATOM 0 HG LEU A 109 6.961 6.721 7.487 1.00 0.48 H new ATOM 0 HD11 LEU A 109 5.922 5.559 9.396 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.453 4.792 8.912 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.395 5.829 10.357 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.596 7.990 9.100 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.058 8.346 10.051 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.890 8.992 8.401 1.00 0.82 H new ATOM 1481 N GLY A 110 11.652 7.774 6.905 1.00 0.39 N ATOM 1482 CA GLY A 110 13.086 7.928 7.053 1.00 0.41 C ATOM 1483 C GLY A 110 13.750 6.638 7.478 1.00 0.39 C ATOM 1484 O GLY A 110 14.961 6.588 7.697 1.00 0.47 O ATOM 0 H GLY A 110 11.364 7.122 6.175 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.515 8.263 6.108 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.294 8.703 7.790 1.00 0.41 H new ATOM 1488 N LYS A 111 12.952 5.591 7.591 1.00 0.36 N ATOM 1489 CA LYS A 111 13.454 4.280 7.962 1.00 0.38 C ATOM 1490 C LYS A 111 13.877 3.520 6.713 1.00 0.30 C ATOM 1491 O LYS A 111 13.144 2.668 6.213 1.00 0.32 O ATOM 1492 CB LYS A 111 12.381 3.499 8.730 1.00 0.53 C ATOM 1493 CG LYS A 111 12.034 4.110 10.079 1.00 0.74 C ATOM 1494 CD LYS A 111 10.742 3.538 10.652 1.00 0.54 C ATOM 1495 CE LYS A 111 10.843 2.044 10.923 1.00 1.22 C ATOM 1496 NZ LYS A 111 11.821 1.725 11.998 1.00 1.73 N ATOM 0 H LYS A 111 11.945 5.624 7.430 1.00 0.36 H new ATOM 0 HA LYS A 111 14.321 4.400 8.612 1.00 0.38 H new ATOM 0 HB2 LYS A 111 11.478 3.444 8.122 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.726 2.476 8.881 1.00 0.53 H new ATOM 0 HG2 LYS A 111 12.851 3.931 10.778 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.936 5.190 9.973 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.497 4.057 11.578 1.00 0.54 H new ATOM 0 HD3 LYS A 111 9.924 3.724 9.956 1.00 0.54 H new ATOM 0 HE2 LYS A 111 9.862 1.662 11.204 1.00 1.22 H new ATOM 0 HE3 LYS A 111 11.135 1.531 10.007 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 11.767 0.712 12.227 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 12.782 1.956 11.673 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 11.599 2.284 12.847 1.00 1.73 H new ATOM 1510 N PHE A 112 15.053 3.854 6.201 1.00 0.30 N ATOM 1511 CA PHE A 112 15.523 3.308 4.933 1.00 0.29 C ATOM 1512 C PHE A 112 15.837 1.819 5.032 1.00 0.30 C ATOM 1513 O PHE A 112 15.589 1.070 4.092 1.00 0.34 O ATOM 1514 CB PHE A 112 16.751 4.080 4.449 1.00 0.35 C ATOM 1515 CG PHE A 112 16.522 5.561 4.377 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.587 6.090 3.501 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.228 6.423 5.199 1.00 0.48 C ATOM 1518 CE1 PHE A 112 15.364 7.451 3.444 1.00 0.48 C ATOM 1519 CE2 PHE A 112 17.007 7.786 5.148 1.00 0.54 C ATOM 1520 CZ PHE A 112 16.076 8.300 4.269 1.00 0.53 C ATOM 0 H PHE A 112 15.702 4.503 6.645 1.00 0.30 H new ATOM 0 HA PHE A 112 14.717 3.422 4.208 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.587 3.879 5.119 1.00 0.35 H new ATOM 0 HB3 PHE A 112 17.038 3.714 3.463 1.00 0.35 H new ATOM 0 HD1 PHE A 112 15.027 5.430 2.856 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.959 6.026 5.887 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.634 7.851 2.756 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.562 8.448 5.796 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.904 9.365 4.226 1.00 0.53 H new ATOM 1530 N ARG A 113 16.374 1.383 6.160 1.00 0.34 N ATOM 1531 CA ARG A 113 16.671 -0.033 6.341 1.00 0.38 C ATOM 1532 C ARG A 113 15.383 -0.812 6.567 1.00 0.34 C ATOM 1533 O ARG A 113 15.226 -1.930 6.077 1.00 0.34 O ATOM 1534 CB ARG A 113 17.640 -0.251 7.503 1.00 0.49 C ATOM 1535 CG ARG A 113 17.929 -1.722 7.785 1.00 1.21 C ATOM 1536 CD ARG A 113 18.539 -2.426 6.579 1.00 1.58 C ATOM 1537 NE ARG A 113 18.068 -3.809 6.467 1.00 2.42 N ATOM 1538 CZ ARG A 113 18.279 -4.593 5.407 1.00 3.14 C ATOM 1539 NH1 ARG A 113 19.135 -4.219 4.464 1.00 3.25 N ATOM 1540 NH2 ARG A 113 17.674 -5.775 5.318 1.00 4.15 N ATOM 0 H ARG A 113 16.611 1.977 6.955 1.00 0.34 H new ATOM 0 HA ARG A 113 17.152 -0.399 5.434 1.00 0.38 H new ATOM 0 HB2 ARG A 113 18.578 0.260 7.285 1.00 0.49 H new ATOM 0 HB3 ARG A 113 17.228 0.209 8.401 1.00 0.49 H new ATOM 0 HG2 ARG A 113 18.609 -1.802 8.633 1.00 1.21 H new ATOM 0 HG3 ARG A 113 17.005 -2.225 8.069 1.00 1.21 H new ATOM 0 HD2 ARG A 113 18.285 -1.880 5.671 1.00 1.58 H new ATOM 0 HD3 ARG A 113 19.626 -2.417 6.663 1.00 1.58 H new ATOM 0 HE ARG A 113 17.544 -4.199 7.251 1.00 2.42 H new ATOM 0 HH11 ARG A 113 19.632 -3.332 4.549 1.00 3.25 H new ATOM 0 HH12 ARG A 113 19.296 -4.818 3.654 1.00 3.25 H new ATOM 0 HH21 ARG A 113 17.047 -6.084 6.061 1.00 4.15 H new ATOM 0 HH22 ARG A 113 17.837 -6.372 4.507 1.00 4.15 H new ATOM 1554 N ALA A 114 14.461 -0.212 7.305 1.00 0.34 N ATOM 1555 CA ALA A 114 13.157 -0.821 7.532 1.00 0.34 C ATOM 1556 C ALA A 114 12.392 -0.952 6.221 1.00 0.28 C ATOM 1557 O ALA A 114 11.841 -2.010 5.914 1.00 0.30 O ATOM 1558 CB ALA A 114 12.359 -0.015 8.538 1.00 0.40 C ATOM 0 H ALA A 114 14.590 0.694 7.756 1.00 0.34 H new ATOM 0 HA ALA A 114 13.311 -1.820 7.940 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.388 -0.486 8.694 1.00 0.40 H new ATOM 0 HB2 ALA A 114 12.899 0.024 9.484 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.215 0.997 8.161 1.00 0.40 H new ATOM 1564 N ALA A 115 12.387 0.118 5.438 1.00 0.26 N ATOM 1565 CA ALA A 115 11.753 0.104 4.130 1.00 0.23 C ATOM 1566 C ALA A 115 12.436 -0.907 3.234 1.00 0.23 C ATOM 1567 O ALA A 115 11.794 -1.595 2.440 1.00 0.25 O ATOM 1568 CB ALA A 115 11.816 1.479 3.498 1.00 0.23 C ATOM 0 H ALA A 115 12.817 1.009 5.688 1.00 0.26 H new ATOM 0 HA ALA A 115 10.707 -0.177 4.253 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.337 1.452 2.519 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.299 2.196 4.135 1.00 0.23 H new ATOM 0 HB3 ALA A 115 12.857 1.780 3.384 1.00 0.23 H new ATOM 1574 N LEU A 116 13.750 -0.996 3.384 1.00 0.24 N ATOM 1575 CA LEU A 116 14.540 -1.931 2.617 1.00 0.28 C ATOM 1576 C LEU A 116 14.203 -3.360 3.007 1.00 0.29 C ATOM 1577 O LEU A 116 14.343 -4.256 2.202 1.00 0.30 O ATOM 1578 CB LEU A 116 16.034 -1.674 2.805 1.00 0.32 C ATOM 1579 CG LEU A 116 16.930 -2.436 1.836 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.568 -2.080 0.408 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.392 -2.140 2.106 1.00 0.49 C ATOM 0 H LEU A 116 14.288 -0.425 4.036 1.00 0.24 H new ATOM 0 HA LEU A 116 14.298 -1.786 1.564 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.224 -0.606 2.693 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.311 -1.942 3.825 1.00 0.32 H new ATOM 0 HG LEU A 116 16.772 -3.504 1.983 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.213 -2.629 -0.278 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.528 -2.346 0.219 1.00 0.47 H new ATOM 0 HD13 LEU A 116 16.703 -1.009 0.255 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.012 -2.695 1.402 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.575 -1.072 1.987 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.642 -2.440 3.124 1.00 0.49 H new ATOM 1593 N ARG A 117 13.743 -3.565 4.237 1.00 0.34 N ATOM 1594 CA ARG A 117 13.328 -4.893 4.680 1.00 0.40 C ATOM 1595 C ARG A 117 12.114 -5.333 3.896 1.00 0.34 C ATOM 1596 O ARG A 117 12.027 -6.469 3.418 1.00 0.35 O ATOM 1597 CB ARG A 117 12.956 -4.894 6.157 1.00 0.57 C ATOM 1598 CG ARG A 117 14.117 -4.712 7.104 1.00 0.70 C ATOM 1599 CD ARG A 117 13.618 -4.642 8.534 1.00 1.01 C ATOM 1600 NE ARG A 117 12.843 -5.829 8.904 1.00 1.90 N ATOM 1601 CZ ARG A 117 12.173 -5.955 10.049 1.00 2.55 C ATOM 1602 NH1 ARG A 117 12.211 -4.988 10.958 1.00 2.45 N ATOM 1603 NH2 ARG A 117 11.471 -7.053 10.292 1.00 3.56 N ATOM 0 H ARG A 117 13.648 -2.834 4.942 1.00 0.34 H new ATOM 0 HA ARG A 117 14.166 -5.571 4.518 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.232 -4.099 6.335 1.00 0.57 H new ATOM 0 HB3 ARG A 117 12.459 -5.835 6.391 1.00 0.57 H new ATOM 0 HG2 ARG A 117 14.818 -5.540 6.995 1.00 0.70 H new ATOM 0 HG3 ARG A 117 14.660 -3.800 6.855 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.467 -4.538 9.210 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.001 -3.752 8.659 1.00 1.01 H new ATOM 0 HE ARG A 117 12.815 -6.607 8.245 1.00 1.90 H new ATOM 0 HH11 ARG A 117 12.755 -4.143 10.782 1.00 2.45 H new ATOM 0 HH12 ARG A 117 11.696 -5.090 11.833 1.00 2.45 H new ATOM 0 HH21 ARG A 117 11.443 -7.804 9.602 1.00 3.56 H new ATOM 0 HH22 ARG A 117 10.959 -7.147 11.169 1.00 3.56 H new ATOM 1617 N ASP A 118 11.174 -4.414 3.769 1.00 0.33 N ATOM 1618 CA ASP A 118 9.930 -4.701 3.092 1.00 0.33 C ATOM 1619 C ASP A 118 10.177 -4.877 1.602 1.00 0.28 C ATOM 1620 O ASP A 118 9.712 -5.843 0.999 1.00 0.31 O ATOM 1621 CB ASP A 118 8.901 -3.602 3.347 1.00 0.40 C ATOM 1622 CG ASP A 118 8.364 -3.621 4.764 1.00 0.63 C ATOM 1623 OD1 ASP A 118 7.537 -4.503 5.079 1.00 0.77 O ATOM 1624 OD2 ASP A 118 8.756 -2.754 5.570 1.00 1.06 O ATOM 0 H ASP A 118 11.252 -3.462 4.128 1.00 0.33 H new ATOM 0 HA ASP A 118 9.525 -5.631 3.491 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.355 -2.631 3.148 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.073 -3.716 2.647 1.00 0.40 H new ATOM 1629 N TYR A 119 10.942 -3.955 1.020 1.00 0.24 N ATOM 1630 CA TYR A 119 11.329 -4.053 -0.384 1.00 0.26 C ATOM 1631 C TYR A 119 12.173 -5.302 -0.629 1.00 0.28 C ATOM 1632 O TYR A 119 12.050 -5.949 -1.668 1.00 0.33 O ATOM 1633 CB TYR A 119 12.100 -2.807 -0.826 1.00 0.28 C ATOM 1634 CG TYR A 119 11.236 -1.575 -0.988 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.021 -1.639 -1.658 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.636 -0.348 -0.471 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.228 -0.517 -1.810 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.849 0.779 -0.617 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.645 0.689 -1.288 1.00 0.50 C ATOM 1640 OH TYR A 119 8.856 1.808 -1.434 1.00 0.60 O ATOM 0 H TYR A 119 11.306 -3.132 1.500 1.00 0.24 H new ATOM 0 HA TYR A 119 10.416 -4.126 -0.975 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.881 -2.597 -0.095 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.597 -3.017 -1.773 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.690 -2.582 -2.067 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.577 -0.274 0.053 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.287 -0.585 -2.335 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.174 1.725 -0.209 1.00 0.47 H new ATOM 0 HH TYR A 119 9.294 2.575 -1.008 1.00 0.60 H new ATOM 1650 N GLU A 120 13.020 -5.636 0.339 1.00 0.28 N ATOM 1651 CA GLU A 120 13.868 -6.818 0.256 1.00 0.34 C ATOM 1652 C GLU A 120 13.005 -8.057 0.141 1.00 0.37 C ATOM 1653 O GLU A 120 13.235 -8.907 -0.705 1.00 0.43 O ATOM 1654 CB GLU A 120 14.752 -6.940 1.497 1.00 0.36 C ATOM 1655 CG GLU A 120 15.994 -7.786 1.286 1.00 0.42 C ATOM 1656 CD GLU A 120 16.667 -8.182 2.587 1.00 0.48 C ATOM 1657 OE1 GLU A 120 17.436 -7.371 3.151 1.00 0.58 O ATOM 1658 OE2 GLU A 120 16.439 -9.324 3.047 1.00 0.61 O ATOM 0 H GLU A 120 13.137 -5.098 1.198 1.00 0.28 H new ATOM 0 HA GLU A 120 14.504 -6.722 -0.624 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.054 -5.942 1.816 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.165 -7.370 2.309 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.725 -8.686 0.734 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.703 -7.234 0.669 1.00 0.42 H new ATOM 1665 N THR A 121 12.002 -8.142 0.996 1.00 0.36 N ATOM 1666 CA THR A 121 11.082 -9.263 0.982 1.00 0.40 C ATOM 1667 C THR A 121 10.359 -9.345 -0.363 1.00 0.40 C ATOM 1668 O THR A 121 10.227 -10.422 -0.946 1.00 0.45 O ATOM 1669 CB THR A 121 10.066 -9.141 2.128 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.761 -8.979 3.375 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.177 -10.371 2.193 1.00 0.47 C ATOM 0 H THR A 121 11.804 -7.443 1.712 1.00 0.36 H new ATOM 0 HA THR A 121 11.655 -10.179 1.124 1.00 0.40 H new ATOM 0 HB THR A 121 9.438 -8.270 1.943 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.137 -8.076 3.425 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.465 -10.263 3.012 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.635 -10.479 1.253 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.791 -11.256 2.361 1.00 0.47 H new ATOM 1679 N VAL A 122 9.932 -8.192 -0.864 1.00 0.37 N ATOM 1680 CA VAL A 122 9.295 -8.107 -2.172 1.00 0.39 C ATOM 1681 C VAL A 122 10.225 -8.640 -3.266 1.00 0.44 C ATOM 1682 O VAL A 122 9.813 -9.441 -4.110 1.00 0.50 O ATOM 1683 CB VAL A 122 8.887 -6.650 -2.499 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.320 -6.543 -3.904 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.879 -6.134 -1.485 1.00 0.36 C ATOM 0 H VAL A 122 10.016 -7.298 -0.380 1.00 0.37 H new ATOM 0 HA VAL A 122 8.396 -8.723 -2.140 1.00 0.39 H new ATOM 0 HB VAL A 122 9.784 -6.033 -2.445 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.042 -5.509 -4.106 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.072 -6.864 -4.625 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.439 -7.179 -3.990 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.606 -5.108 -1.733 1.00 0.36 H new ATOM 0 HG22 VAL A 122 6.988 -6.762 -1.505 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.319 -6.161 -0.488 1.00 0.36 H new ATOM 1695 N VAL A 123 11.486 -8.219 -3.227 1.00 0.44 N ATOM 1696 CA VAL A 123 12.458 -8.610 -4.243 1.00 0.51 C ATOM 1697 C VAL A 123 13.011 -10.019 -3.973 1.00 0.57 C ATOM 1698 O VAL A 123 13.689 -10.607 -4.813 1.00 0.67 O ATOM 1699 CB VAL A 123 13.619 -7.584 -4.329 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.623 -7.782 -3.203 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.299 -7.643 -5.688 1.00 0.59 C ATOM 0 H VAL A 123 11.859 -7.606 -2.502 1.00 0.44 H new ATOM 0 HA VAL A 123 11.939 -8.625 -5.202 1.00 0.51 H new ATOM 0 HB VAL A 123 13.189 -6.589 -4.211 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.422 -7.046 -3.295 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.122 -7.656 -2.243 1.00 0.48 H new ATOM 0 HG13 VAL A 123 15.045 -8.785 -3.264 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.109 -6.914 -5.722 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.703 -8.642 -5.849 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.573 -7.415 -6.468 1.00 0.59 H new ATOM 1711 N LYS A 124 12.724 -10.559 -2.796 1.00 0.55 N ATOM 1712 CA LYS A 124 13.104 -11.932 -2.481 1.00 0.61 C ATOM 1713 C LYS A 124 12.050 -12.902 -2.992 1.00 0.63 C ATOM 1714 O LYS A 124 12.315 -14.092 -3.162 1.00 0.72 O ATOM 1715 CB LYS A 124 13.323 -12.125 -0.978 1.00 0.62 C ATOM 1716 CG LYS A 124 14.653 -11.560 -0.489 1.00 0.67 C ATOM 1717 CD LYS A 124 14.870 -11.803 0.998 1.00 0.75 C ATOM 1718 CE LYS A 124 13.809 -11.117 1.841 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.129 -11.180 3.291 1.00 1.07 N ATOM 0 H LYS A 124 12.232 -10.072 -2.047 1.00 0.55 H new ATOM 0 HA LYS A 124 14.050 -12.139 -2.982 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.509 -11.645 -0.434 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.279 -13.189 -0.744 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.468 -12.015 -1.052 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.686 -10.489 -0.689 1.00 0.67 H new ATOM 0 HD2 LYS A 124 14.856 -12.875 1.197 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.856 -11.438 1.286 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.719 -10.075 1.534 1.00 0.67 H new ATOM 0 HE3 LYS A 124 12.842 -11.587 1.662 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.315 -10.840 3.841 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 14.340 -12.163 3.557 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 14.956 -10.582 3.490 1.00 1.07 H new ATOM 1733 N VAL A 125 10.853 -12.389 -3.230 1.00 0.59 N ATOM 1734 CA VAL A 125 9.796 -13.190 -3.821 1.00 0.63 C ATOM 1735 C VAL A 125 9.841 -13.089 -5.343 1.00 0.69 C ATOM 1736 O VAL A 125 9.684 -14.086 -6.043 1.00 0.75 O ATOM 1737 CB VAL A 125 8.405 -12.769 -3.300 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.310 -13.616 -3.937 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.355 -12.882 -1.781 1.00 0.59 C ATOM 0 H VAL A 125 10.591 -11.425 -3.023 1.00 0.59 H new ATOM 0 HA VAL A 125 9.963 -14.226 -3.527 1.00 0.63 H new ATOM 0 HB VAL A 125 8.233 -11.729 -3.578 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.339 -13.302 -3.555 1.00 0.66 H new ATOM 0 HG12 VAL A 125 7.334 -13.487 -5.019 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.474 -14.666 -3.693 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.369 -12.582 -1.426 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.549 -13.913 -1.486 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.112 -12.231 -1.343 1.00 0.59 H new ATOM 1749 N LYS A 126 10.070 -11.884 -5.855 1.00 0.68 N ATOM 1750 CA LYS A 126 10.211 -11.687 -7.292 1.00 0.76 C ATOM 1751 C LYS A 126 11.331 -10.697 -7.618 1.00 0.75 C ATOM 1752 O LYS A 126 11.106 -9.500 -7.779 1.00 0.73 O ATOM 1753 CB LYS A 126 8.878 -11.278 -7.941 1.00 0.80 C ATOM 1754 CG LYS A 126 7.922 -10.499 -7.040 1.00 0.73 C ATOM 1755 CD LYS A 126 8.158 -9.001 -7.104 1.00 0.71 C ATOM 1756 CE LYS A 126 6.857 -8.241 -6.900 1.00 0.73 C ATOM 1757 NZ LYS A 126 7.022 -6.773 -7.055 1.00 1.12 N ATOM 0 H LYS A 126 10.161 -11.034 -5.299 1.00 0.68 H new ATOM 0 HA LYS A 126 10.496 -12.646 -7.725 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.093 -10.674 -8.822 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.371 -12.178 -8.288 1.00 0.80 H new ATOM 0 HG2 LYS A 126 6.894 -10.715 -7.332 1.00 0.73 H new ATOM 0 HG3 LYS A 126 8.039 -10.839 -6.011 1.00 0.73 H new ATOM 0 HD2 LYS A 126 8.879 -8.709 -6.340 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.591 -8.737 -8.069 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.116 -8.597 -7.616 1.00 0.73 H new ATOM 0 HE3 LYS A 126 6.467 -8.456 -5.905 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 6.131 -6.357 -7.393 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.274 -6.353 -6.137 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.777 -6.579 -7.743 1.00 1.12 H new ATOM 1771 N PRO A 127 12.568 -11.209 -7.698 1.00 0.80 N ATOM 1772 CA PRO A 127 13.765 -10.406 -7.984 1.00 0.83 C ATOM 1773 C PRO A 127 13.905 -10.037 -9.458 1.00 0.92 C ATOM 1774 O PRO A 127 14.713 -9.182 -9.815 1.00 0.96 O ATOM 1775 CB PRO A 127 14.907 -11.328 -7.569 1.00 0.87 C ATOM 1776 CG PRO A 127 14.372 -12.702 -7.773 1.00 0.97 C ATOM 1777 CD PRO A 127 12.900 -12.629 -7.482 1.00 0.86 C ATOM 0 HA PRO A 127 13.738 -9.451 -7.459 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.797 -11.155 -8.175 1.00 0.87 H new ATOM 0 HB3 PRO A 127 15.192 -11.164 -6.530 1.00 0.87 H new ATOM 0 HG2 PRO A 127 14.550 -13.041 -8.793 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.865 -13.413 -7.110 1.00 0.97 H new ATOM 0 HD2 PRO A 127 12.329 -13.279 -8.145 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.678 -12.941 -6.461 1.00 0.86 H new ATOM 1785 N HIS A 128 13.134 -10.693 -10.312 1.00 0.99 N ATOM 1786 CA HIS A 128 13.159 -10.391 -11.741 1.00 1.12 C ATOM 1787 C HIS A 128 12.135 -9.319 -12.065 1.00 1.04 C ATOM 1788 O HIS A 128 12.087 -8.801 -13.180 1.00 1.11 O ATOM 1789 CB HIS A 128 12.867 -11.642 -12.574 1.00 1.33 C ATOM 1790 CG HIS A 128 13.966 -12.659 -12.575 1.00 2.00 C ATOM 1791 ND1 HIS A 128 14.200 -13.505 -13.638 1.00 2.75 N ATOM 1792 CD2 HIS A 128 14.880 -12.986 -11.631 1.00 2.49 C ATOM 1793 CE1 HIS A 128 15.207 -14.305 -13.349 1.00 3.56 C ATOM 1794 NE2 HIS A 128 15.637 -14.011 -12.138 1.00 3.37 N ATOM 0 H HIS A 128 12.486 -11.434 -10.046 1.00 0.99 H new ATOM 0 HA HIS A 128 14.157 -10.032 -11.991 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.957 -12.109 -12.197 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.668 -11.340 -13.602 1.00 1.33 H new ATOM 0 HD2 HIS A 128 14.992 -12.526 -10.660 1.00 2.49 H new ATOM 0 HE1 HIS A 128 15.611 -15.071 -13.994 1.00 3.56 H new ATOM 0 HE2 HIS A 128 16.409 -14.472 -11.656 1.00 3.37 H new ATOM 1803 N ASP A 129 11.319 -8.991 -11.076 1.00 0.92 N ATOM 1804 CA ASP A 129 10.257 -8.017 -11.258 1.00 0.89 C ATOM 1805 C ASP A 129 10.772 -6.596 -11.074 1.00 0.83 C ATOM 1806 O ASP A 129 11.258 -6.232 -10.002 1.00 0.80 O ATOM 1807 CB ASP A 129 9.112 -8.295 -10.294 1.00 0.89 C ATOM 1808 CG ASP A 129 8.054 -7.214 -10.331 1.00 0.89 C ATOM 1809 OD1 ASP A 129 7.245 -7.190 -11.280 1.00 1.09 O ATOM 1810 OD2 ASP A 129 8.029 -6.385 -9.404 1.00 1.11 O ATOM 0 H ASP A 129 11.373 -9.386 -10.137 1.00 0.92 H new ATOM 0 HA ASP A 129 9.888 -8.110 -12.280 1.00 0.89 H new ATOM 0 HB2 ASP A 129 8.657 -9.254 -10.541 1.00 0.89 H new ATOM 0 HB3 ASP A 129 9.506 -8.380 -9.281 1.00 0.89 H new ATOM 1815 N LYS A 130 10.658 -5.814 -12.140 1.00 0.85 N ATOM 1816 CA LYS A 130 11.109 -4.423 -12.171 1.00 0.89 C ATOM 1817 C LYS A 130 10.542 -3.603 -11.017 1.00 0.84 C ATOM 1818 O LYS A 130 11.238 -2.768 -10.446 1.00 0.84 O ATOM 1819 CB LYS A 130 10.702 -3.778 -13.499 1.00 1.04 C ATOM 1820 CG LYS A 130 9.249 -4.037 -13.870 1.00 1.18 C ATOM 1821 CD LYS A 130 8.844 -3.313 -15.141 1.00 1.44 C ATOM 1822 CE LYS A 130 7.471 -3.768 -15.612 1.00 2.28 C ATOM 1823 NZ LYS A 130 6.991 -2.984 -16.779 1.00 3.05 N ATOM 0 H LYS A 130 10.246 -6.128 -13.018 1.00 0.85 H new ATOM 0 HA LYS A 130 12.194 -4.432 -12.069 1.00 0.89 H new ATOM 0 HB2 LYS A 130 10.869 -2.703 -13.440 1.00 1.04 H new ATOM 0 HB3 LYS A 130 11.346 -4.157 -14.292 1.00 1.04 H new ATOM 0 HG2 LYS A 130 9.094 -5.108 -13.999 1.00 1.18 H new ATOM 0 HG3 LYS A 130 8.604 -3.718 -13.051 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.834 -2.238 -14.964 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.581 -3.501 -15.922 1.00 1.44 H new ATOM 0 HE2 LYS A 130 7.511 -4.824 -15.878 1.00 2.28 H new ATOM 0 HE3 LYS A 130 6.758 -3.672 -14.794 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 6.052 -3.328 -17.066 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.927 -1.979 -16.519 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 7.657 -3.095 -17.570 1.00 3.05 H new ATOM 1837 N ASP A 131 9.283 -3.847 -10.672 1.00 0.86 N ATOM 1838 CA ASP A 131 8.618 -3.085 -9.622 1.00 0.90 C ATOM 1839 C ASP A 131 9.283 -3.340 -8.276 1.00 0.77 C ATOM 1840 O ASP A 131 9.533 -2.411 -7.506 1.00 0.80 O ATOM 1841 CB ASP A 131 7.136 -3.450 -9.558 1.00 1.05 C ATOM 1842 CG ASP A 131 6.385 -2.640 -8.521 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.434 -1.391 -8.587 1.00 1.60 O ATOM 1844 OD2 ASP A 131 5.730 -3.248 -7.647 1.00 1.82 O ATOM 0 H ASP A 131 8.703 -4.566 -11.104 1.00 0.86 H new ATOM 0 HA ASP A 131 8.706 -2.024 -9.857 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.683 -3.291 -10.537 1.00 1.05 H new ATOM 0 HB3 ASP A 131 7.036 -4.511 -9.329 1.00 1.05 H new ATOM 1849 N ALA A 132 9.581 -4.605 -8.013 1.00 0.69 N ATOM 1850 CA ALA A 132 10.281 -4.992 -6.804 1.00 0.62 C ATOM 1851 C ALA A 132 11.683 -4.415 -6.794 1.00 0.59 C ATOM 1852 O ALA A 132 12.098 -3.780 -5.824 1.00 0.56 O ATOM 1853 CB ALA A 132 10.349 -6.504 -6.692 1.00 0.65 C ATOM 0 H ALA A 132 9.345 -5.383 -8.628 1.00 0.69 H new ATOM 0 HA ALA A 132 9.730 -4.597 -5.951 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.878 -6.778 -5.779 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.339 -6.912 -6.663 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.879 -6.909 -7.554 1.00 0.65 H new ATOM 1859 N LYS A 133 12.403 -4.642 -7.888 1.00 0.63 N ATOM 1860 CA LYS A 133 13.771 -4.165 -8.014 1.00 0.66 C ATOM 1861 C LYS A 133 13.830 -2.661 -7.811 1.00 0.65 C ATOM 1862 O LYS A 133 14.491 -2.193 -6.896 1.00 0.63 O ATOM 1863 CB LYS A 133 14.352 -4.512 -9.388 1.00 0.74 C ATOM 1864 CG LYS A 133 14.272 -5.987 -9.728 1.00 0.75 C ATOM 1865 CD LYS A 133 14.856 -6.280 -11.102 1.00 0.95 C ATOM 1866 CE LYS A 133 16.371 -6.193 -11.094 1.00 1.21 C ATOM 1867 NZ LYS A 133 16.981 -7.248 -10.243 1.00 1.93 N ATOM 0 H LYS A 133 12.059 -5.154 -8.700 1.00 0.63 H new ATOM 0 HA LYS A 133 14.364 -4.660 -7.245 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.821 -3.943 -10.151 1.00 0.74 H new ATOM 0 HB3 LYS A 133 15.395 -4.196 -9.422 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.808 -6.564 -8.974 1.00 0.75 H new ATOM 0 HG3 LYS A 133 13.232 -6.312 -9.698 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.550 -7.275 -11.424 1.00 0.95 H new ATOM 0 HD3 LYS A 133 14.454 -5.573 -11.827 1.00 0.95 H new ATOM 0 HE2 LYS A 133 16.746 -6.287 -12.113 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.677 -5.212 -10.731 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 17.782 -7.680 -10.746 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 17.317 -6.826 -9.354 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.271 -7.978 -10.032 1.00 1.93 H new ATOM 1881 N MET A 134 13.093 -1.927 -8.640 1.00 0.68 N ATOM 1882 CA MET A 134 13.171 -0.467 -8.697 1.00 0.72 C ATOM 1883 C MET A 134 13.271 0.173 -7.314 1.00 0.65 C ATOM 1884 O MET A 134 14.229 0.887 -7.028 1.00 0.68 O ATOM 1885 CB MET A 134 11.959 0.098 -9.440 1.00 0.78 C ATOM 1886 CG MET A 134 11.953 1.617 -9.537 1.00 0.84 C ATOM 1887 SD MET A 134 10.618 2.247 -10.579 1.00 0.97 S ATOM 1888 CE MET A 134 9.192 1.445 -9.843 1.00 1.61 C ATOM 0 H MET A 134 12.421 -2.328 -9.295 1.00 0.68 H new ATOM 0 HA MET A 134 14.086 -0.221 -9.235 1.00 0.72 H new ATOM 0 HB2 MET A 134 11.933 -0.321 -10.446 1.00 0.78 H new ATOM 0 HB3 MET A 134 11.050 -0.228 -8.935 1.00 0.78 H new ATOM 0 HG2 MET A 134 11.858 2.040 -8.537 1.00 0.84 H new ATOM 0 HG3 MET A 134 12.909 1.955 -9.936 1.00 0.84 H new ATOM 0 HE1 MET A 134 8.357 2.145 -9.812 1.00 1.61 H new ATOM 0 HE2 MET A 134 8.915 0.576 -10.440 1.00 1.61 H new ATOM 0 HE3 MET A 134 9.437 1.126 -8.830 1.00 1.61 H new ATOM 1898 N LYS A 135 12.302 -0.099 -6.454 1.00 0.59 N ATOM 1899 CA LYS A 135 12.275 0.524 -5.136 1.00 0.54 C ATOM 1900 C LYS A 135 13.228 -0.161 -4.163 1.00 0.48 C ATOM 1901 O LYS A 135 13.695 0.461 -3.210 1.00 0.46 O ATOM 1902 CB LYS A 135 10.855 0.555 -4.578 1.00 0.54 C ATOM 1903 CG LYS A 135 10.119 1.855 -4.872 1.00 0.65 C ATOM 1904 CD LYS A 135 10.095 2.163 -6.361 1.00 0.76 C ATOM 1905 CE LYS A 135 9.417 3.492 -6.658 1.00 1.05 C ATOM 1906 NZ LYS A 135 10.120 4.637 -6.016 1.00 1.94 N ATOM 0 H LYS A 135 11.531 -0.740 -6.640 1.00 0.59 H new ATOM 0 HA LYS A 135 12.619 1.551 -5.256 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.289 -0.277 -4.997 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.893 0.403 -3.499 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.097 1.788 -4.498 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.600 2.675 -4.338 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.116 2.183 -6.743 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.573 1.364 -6.888 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.382 3.647 -7.736 1.00 1.05 H new ATOM 0 HE3 LYS A 135 8.385 3.458 -6.307 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 9.595 5.515 -6.203 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 10.176 4.479 -4.990 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 11.080 4.718 -6.407 1.00 1.94 H new ATOM 1920 N TYR A 136 13.529 -1.432 -4.406 1.00 0.48 N ATOM 1921 CA TYR A 136 14.518 -2.133 -3.596 1.00 0.46 C ATOM 1922 C TYR A 136 15.877 -1.466 -3.740 1.00 0.47 C ATOM 1923 O TYR A 136 16.495 -1.081 -2.755 1.00 0.48 O ATOM 1924 CB TYR A 136 14.643 -3.608 -3.996 1.00 0.48 C ATOM 1925 CG TYR A 136 15.774 -4.312 -3.275 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.656 -4.665 -1.937 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.966 -4.600 -3.928 1.00 0.54 C ATOM 1928 CE1 TYR A 136 16.695 -5.284 -1.271 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.006 -5.225 -3.267 1.00 0.57 C ATOM 1930 CZ TYR A 136 17.867 -5.563 -1.940 1.00 0.54 C ATOM 1931 OH TYR A 136 18.905 -6.173 -1.277 1.00 0.59 O ATOM 0 H TYR A 136 13.108 -1.992 -5.148 1.00 0.48 H new ATOM 0 HA TYR A 136 14.181 -2.085 -2.561 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.705 -4.120 -3.781 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.804 -3.677 -5.072 1.00 0.48 H new ATOM 0 HD1 TYR A 136 14.738 -4.452 -1.410 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.081 -4.331 -4.968 1.00 0.54 H new ATOM 0 HE1 TYR A 136 16.590 -5.549 -0.229 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.925 -5.447 -3.790 1.00 0.57 H new ATOM 0 HH TYR A 136 19.657 -6.299 -1.892 1.00 0.59 H new ATOM 1941 N GLN A 137 16.317 -1.318 -4.981 1.00 0.49 N ATOM 1942 CA GLN A 137 17.640 -0.783 -5.280 1.00 0.51 C ATOM 1943 C GLN A 137 17.688 0.681 -4.901 1.00 0.53 C ATOM 1944 O GLN A 137 18.711 1.196 -4.472 1.00 0.57 O ATOM 1945 CB GLN A 137 17.945 -0.943 -6.767 1.00 0.55 C ATOM 1946 CG GLN A 137 17.208 -2.111 -7.394 1.00 0.61 C ATOM 1947 CD GLN A 137 17.657 -2.449 -8.792 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.241 -1.822 -9.765 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.432 -3.506 -8.901 1.00 1.24 N ATOM 0 H GLN A 137 15.771 -1.564 -5.807 1.00 0.49 H new ATOM 0 HA GLN A 137 18.387 -1.331 -4.706 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.675 -0.026 -7.290 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.018 -1.082 -6.901 1.00 0.55 H new ATOM 0 HG2 GLN A 137 17.337 -2.989 -6.761 1.00 0.61 H new ATOM 0 HG3 GLN A 137 16.142 -1.885 -7.412 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.751 -3.993 -8.063 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.714 -3.839 -9.823 1.00 1.24 H new ATOM 1958 N GLU A 138 16.550 1.326 -5.061 1.00 0.53 N ATOM 1959 CA GLU A 138 16.378 2.720 -4.704 1.00 0.57 C ATOM 1960 C GLU A 138 16.616 2.936 -3.208 1.00 0.54 C ATOM 1961 O GLU A 138 17.368 3.826 -2.809 1.00 0.60 O ATOM 1962 CB GLU A 138 14.968 3.137 -5.103 1.00 0.60 C ATOM 1963 CG GLU A 138 14.485 4.428 -4.476 1.00 0.69 C ATOM 1964 CD GLU A 138 13.074 4.769 -4.900 1.00 1.33 C ATOM 1965 OE1 GLU A 138 12.863 5.082 -6.092 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.162 4.699 -4.055 1.00 2.04 O ATOM 0 H GLU A 138 15.711 0.893 -5.446 1.00 0.53 H new ATOM 0 HA GLU A 138 17.109 3.334 -5.231 1.00 0.57 H new ATOM 0 HB2 GLU A 138 14.928 3.239 -6.187 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.278 2.338 -4.832 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.527 4.342 -3.390 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.155 5.241 -4.757 1.00 0.69 H new ATOM 1973 N CYS A 139 15.988 2.114 -2.383 1.00 0.47 N ATOM 1974 CA CYS A 139 16.184 2.209 -0.947 1.00 0.44 C ATOM 1975 C CYS A 139 17.565 1.672 -0.584 1.00 0.43 C ATOM 1976 O CYS A 139 18.237 2.198 0.303 1.00 0.42 O ATOM 1977 CB CYS A 139 15.095 1.435 -0.201 1.00 0.42 C ATOM 1978 SG CYS A 139 14.785 2.036 1.474 1.00 1.06 S ATOM 0 H CYS A 139 15.344 1.380 -2.680 1.00 0.47 H new ATOM 0 HA CYS A 139 16.118 3.255 -0.649 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.169 1.489 -0.773 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.379 0.384 -0.152 1.00 0.42 H new ATOM 0 HG CYS A 139 15.499 1.354 2.319 1.00 1.06 H new ATOM 1984 N ASN A 140 17.991 0.638 -1.307 1.00 0.45 N ATOM 1985 CA ASN A 140 19.285 0.003 -1.079 1.00 0.48 C ATOM 1986 C ASN A 140 20.409 1.010 -1.298 1.00 0.52 C ATOM 1987 O ASN A 140 21.289 1.153 -0.452 1.00 0.54 O ATOM 1988 CB ASN A 140 19.459 -1.209 -2.014 1.00 0.52 C ATOM 1989 CG ASN A 140 20.527 -2.195 -1.554 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.546 -1.719 -0.855 1.00 1.22 O flip ATOM 1991 ND2 ASN A 140 20.430 -3.393 -1.832 1.00 1.13 N flip ATOM 0 H ASN A 140 17.451 0.219 -2.064 1.00 0.45 H new ATOM 0 HA ASN A 140 19.327 -0.348 -0.048 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.506 -1.732 -2.096 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.713 -0.852 -3.012 1.00 0.52 H new ATOM 0 HD21 ASN A 140 19.632 -3.728 -2.372 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.147 -4.048 -1.522 1.00 1.13 H new ATOM 1998 N LYS A 141 20.363 1.718 -2.423 1.00 0.56 N ATOM 1999 CA LYS A 141 21.386 2.703 -2.744 1.00 0.63 C ATOM 2000 C LYS A 141 21.399 3.821 -1.712 1.00 0.60 C ATOM 2001 O LYS A 141 22.464 4.279 -1.315 1.00 0.65 O ATOM 2002 CB LYS A 141 21.186 3.296 -4.145 1.00 0.70 C ATOM 2003 CG LYS A 141 19.889 4.063 -4.305 1.00 0.69 C ATOM 2004 CD LYS A 141 19.914 4.976 -5.515 1.00 0.81 C ATOM 2005 CE LYS A 141 18.590 5.708 -5.670 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.545 6.545 -6.898 1.00 1.15 N ATOM 0 H LYS A 141 19.629 1.627 -3.125 1.00 0.56 H new ATOM 0 HA LYS A 141 22.345 2.186 -2.727 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.020 3.960 -4.371 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.213 2.490 -4.878 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.061 3.360 -4.399 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.705 4.655 -3.408 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.724 5.698 -5.414 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.118 4.392 -6.412 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.778 4.982 -5.699 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.423 6.339 -4.797 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.623 7.023 -6.959 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.303 7.257 -6.861 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 18.678 5.941 -7.735 1.00 1.15 H new ATOM 2020 N ILE A 142 20.216 4.247 -1.263 1.00 0.54 N ATOM 2021 CA ILE A 142 20.118 5.326 -0.285 1.00 0.52 C ATOM 2022 C ILE A 142 20.717 4.912 1.052 1.00 0.49 C ATOM 2023 O ILE A 142 21.341 5.722 1.746 1.00 0.51 O ATOM 2024 CB ILE A 142 18.670 5.824 -0.116 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.268 6.579 -1.383 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.538 6.716 1.112 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.929 7.275 -1.291 1.00 0.60 C ATOM 0 H ILE A 142 19.319 3.862 -1.561 1.00 0.54 H new ATOM 0 HA ILE A 142 20.701 6.162 -0.671 1.00 0.52 H new ATOM 0 HB ILE A 142 18.006 4.973 0.033 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.035 7.320 -1.610 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.244 5.879 -2.218 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.506 7.053 1.207 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.820 6.154 2.002 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.194 7.580 1.006 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.719 7.786 -2.231 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.149 6.539 -1.097 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.952 8.002 -0.479 1.00 0.60 H new ATOM 2039 N VAL A 143 20.567 3.646 1.395 1.00 0.46 N ATOM 2040 CA VAL A 143 21.228 3.108 2.566 1.00 0.47 C ATOM 2041 C VAL A 143 22.746 3.224 2.412 1.00 0.56 C ATOM 2042 O VAL A 143 23.461 3.491 3.378 1.00 0.59 O ATOM 2043 CB VAL A 143 20.835 1.638 2.816 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.700 1.033 3.906 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.368 1.543 3.198 1.00 0.41 C ATOM 0 H VAL A 143 19.996 2.975 0.881 1.00 0.46 H new ATOM 0 HA VAL A 143 20.904 3.692 3.428 1.00 0.47 H new ATOM 0 HB VAL A 143 20.996 1.077 1.895 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.408 -0.005 4.068 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.747 1.072 3.604 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.568 1.596 4.830 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.104 0.500 3.372 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.191 2.118 4.107 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.755 1.943 2.390 1.00 0.41 H new ATOM 2055 N LYS A 144 23.231 3.055 1.185 1.00 0.63 N ATOM 2056 CA LYS A 144 24.662 3.139 0.915 1.00 0.74 C ATOM 2057 C LYS A 144 25.094 4.582 0.713 1.00 0.76 C ATOM 2058 O LYS A 144 26.284 4.889 0.744 1.00 0.85 O ATOM 2059 CB LYS A 144 25.039 2.313 -0.312 1.00 0.84 C ATOM 2060 CG LYS A 144 24.273 1.015 -0.409 1.00 0.83 C ATOM 2061 CD LYS A 144 25.097 -0.093 -1.037 1.00 1.10 C ATOM 2062 CE LYS A 144 26.329 -0.395 -0.199 1.00 1.57 C ATOM 2063 NZ LYS A 144 26.944 -1.700 -0.553 1.00 2.23 N ATOM 0 H LYS A 144 22.656 2.860 0.365 1.00 0.63 H new ATOM 0 HA LYS A 144 25.182 2.734 1.783 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.857 2.903 -1.210 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.107 2.097 -0.283 1.00 0.84 H new ATOM 0 HG2 LYS A 144 23.955 0.708 0.587 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.370 1.172 -0.998 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.489 -0.993 -1.135 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.399 0.199 -2.043 1.00 1.10 H new ATOM 0 HE2 LYS A 144 27.063 0.399 -0.336 1.00 1.57 H new ATOM 0 HE3 LYS A 144 26.056 -0.398 0.856 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 27.780 -1.863 0.044 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 26.254 -2.462 -0.398 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 27.229 -1.689 -1.553 1.00 2.23 H new ATOM 2077 N GLN A 145 24.134 5.469 0.471 1.00 0.70 N ATOM 2078 CA GLN A 145 24.434 6.888 0.463 1.00 0.74 C ATOM 2079 C GLN A 145 24.901 7.273 1.846 1.00 0.75 C ATOM 2080 O GLN A 145 25.840 8.048 2.028 1.00 0.84 O ATOM 2081 CB GLN A 145 23.213 7.728 0.099 1.00 0.71 C ATOM 2082 CG GLN A 145 22.510 7.256 -1.147 1.00 0.72 C ATOM 2083 CD GLN A 145 23.300 7.496 -2.415 1.00 0.94 C ATOM 2084 OE1 GLN A 145 24.528 7.474 -2.417 1.00 1.36 O ATOM 2085 NE2 GLN A 145 22.593 7.736 -3.503 1.00 1.27 N ATOM 0 H GLN A 145 23.160 5.232 0.282 1.00 0.70 H new ATOM 0 HA GLN A 145 25.201 7.078 -0.288 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.510 7.713 0.932 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.522 8.764 -0.038 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.301 6.190 -1.055 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.549 7.763 -1.226 1.00 0.72 H new ATOM 0 HE21 GLN A 145 21.574 7.745 -3.457 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.065 7.912 -4.390 1.00 1.27 H new ATOM 2094 N LYS A 146 24.224 6.688 2.817 1.00 0.67 N ATOM 2095 CA LYS A 146 24.522 6.912 4.212 1.00 0.70 C ATOM 2096 C LYS A 146 25.762 6.131 4.635 1.00 0.84 C ATOM 2097 O LYS A 146 26.716 6.699 5.166 1.00 0.94 O ATOM 2098 CB LYS A 146 23.328 6.496 5.072 1.00 0.58 C ATOM 2099 CG LYS A 146 22.062 7.288 4.785 1.00 0.58 C ATOM 2100 CD LYS A 146 20.915 6.877 5.698 1.00 0.64 C ATOM 2101 CE LYS A 146 20.970 7.576 7.057 1.00 1.40 C ATOM 2102 NZ LYS A 146 22.188 7.229 7.839 1.00 1.73 N ATOM 0 H LYS A 146 23.450 6.043 2.656 1.00 0.67 H new ATOM 0 HA LYS A 146 24.719 7.974 4.355 1.00 0.70 H new ATOM 0 HB2 LYS A 146 23.127 5.437 4.911 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.590 6.615 6.123 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.263 8.352 4.911 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.769 7.140 3.746 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.967 7.108 5.212 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.942 5.798 5.847 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.937 8.655 6.906 1.00 1.40 H new ATOM 0 HE3 LYS A 146 20.085 7.307 7.634 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 22.009 7.390 8.851 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 22.426 6.228 7.685 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 22.981 7.825 7.529 1.00 1.73 H new