USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 35 TYR OH : rot 55:sc= 0.222 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.411 X(o=-0.29,f=0.18) USER MOD Set 1.3: A 89 GLN : amide:sc= -0.0964 X(o=-0.29,f=-0.78) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.587 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 142:sc= 0.655 (180deg=-0.0249) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.876) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.164 X(o=1.3,f=0.87) USER MOD Set 4.1: A 1 MET CE :methyl -153:sc=-0.00456 (180deg=-0.00456) USER MOD Set 4.2: A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -3.41! C(o=-3.4!,f=-7.5!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0592 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 164:sc= -0.0252 (180deg=-0.319) USER MOD Single : A -4 MET N :NH3+ 159:sc= 1.42 (180deg=1.06) USER MOD Single : A 11 THR OG1 : rot -82:sc= 1.12 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -34:sc= 0.332 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0044 X(o=-0.0044,f=-0.0044) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0392 (180deg=-0.289) USER MOD Single : A 34 SER OG : rot 110:sc= -0.209 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0545) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0553 (180deg=-0.332) USER MOD Single : A 47 ASN : amide:sc= 0.744 K(o=0.74,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.409 K(o=-0.41,f=-6.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 1.09 (180deg=-0.0947!) USER MOD Single : A 62 ASN : amide:sc= -8.88! C(o=-8.9!,f=-10!) USER MOD Single : A 64 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-8.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 143:sc= 0.568 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Single : A 96 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.023) USER MOD Single : A 97 THR OG1 : rot -38:sc= 0.00226 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -17.094 15.628 4.209 1.00 12.65 N ATOM 2 CA MET A -4 -17.062 14.638 5.310 1.00 12.53 C ATOM 3 C MET A -4 -17.127 13.224 4.750 1.00 12.44 C ATOM 4 O MET A -4 -16.227 12.413 4.977 1.00 12.69 O ATOM 5 CB MET A -4 -18.220 14.871 6.289 1.00 12.61 C ATOM 6 CG MET A -4 -18.051 16.105 7.163 1.00 12.98 C ATOM 7 SD MET A -4 -18.082 17.650 6.230 1.00 13.01 S ATOM 8 CE MET A -4 -19.794 17.697 5.702 1.00 13.01 C ATOM 0 H1 MET A -4 -17.403 16.549 4.579 1.00 12.65 H new ATOM 0 H2 MET A -4 -16.143 15.721 3.798 1.00 12.65 H new ATOM 0 H3 MET A -4 -17.758 15.309 3.475 1.00 12.65 H new ATOM 0 HA MET A -4 -16.124 14.762 5.852 1.00 12.53 H new ATOM 0 HB2 MET A -4 -19.148 14.963 5.724 1.00 12.61 H new ATOM 0 HB3 MET A -4 -18.322 13.995 6.930 1.00 12.61 H new ATOM 0 HG2 MET A -4 -18.844 16.124 7.910 1.00 12.98 H new ATOM 0 HG3 MET A -4 -17.107 16.033 7.702 1.00 12.98 H new ATOM 0 HE1 MET A -4 -20.044 18.704 5.367 1.00 13.01 H new ATOM 0 HE2 MET A -4 -19.941 16.995 4.882 1.00 13.01 H new ATOM 0 HE3 MET A -4 -20.440 17.421 6.536 1.00 13.01 H new ATOM 20 N ARG A -3 -18.187 12.931 4.008 1.00 12.29 N ATOM 21 CA ARG A -3 -18.328 11.633 3.370 1.00 12.43 C ATOM 22 C ARG A -3 -18.629 11.824 1.890 1.00 12.49 C ATOM 23 O ARG A -3 -19.647 12.414 1.530 1.00 13.19 O ATOM 24 CB ARG A -3 -19.429 10.804 4.042 1.00 12.66 C ATOM 25 CG ARG A -3 -19.425 9.346 3.610 1.00 13.08 C ATOM 26 CD ARG A -3 -20.476 8.525 4.340 1.00 13.33 C ATOM 27 NE ARG A -3 -20.335 7.096 4.058 1.00 13.68 N ATOM 28 CZ ARG A -3 -21.355 6.252 3.895 1.00 13.98 C ATOM 29 NH1 ARG A -3 -22.607 6.679 4.020 1.00 13.97 N ATOM 30 NH2 ARG A -3 -21.119 4.975 3.617 1.00 14.46 N ATOM 0 H ARG A -3 -18.959 13.575 3.835 1.00 12.29 H new ATOM 0 HA ARG A -3 -17.391 11.086 3.479 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -19.306 10.857 5.124 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -20.399 11.243 3.810 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -19.602 9.287 2.536 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -18.440 8.917 3.794 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -20.390 8.695 5.413 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -21.470 8.859 4.043 1.00 13.33 H new ATOM 0 HE ARG A -3 -19.390 6.719 3.981 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -22.792 7.657 4.242 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -23.383 6.029 3.894 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -20.159 4.641 3.529 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -21.898 4.328 3.492 1.00 14.46 H new ATOM 44 N SER A -2 -17.725 11.342 1.046 1.00 11.93 N ATOM 45 CA SER A -2 -17.847 11.496 -0.399 1.00 12.17 C ATOM 46 C SER A -2 -19.166 10.914 -0.910 1.00 11.88 C ATOM 47 O SER A -2 -19.431 9.719 -0.758 1.00 11.14 O ATOM 48 CB SER A -2 -16.661 10.811 -1.077 1.00 12.01 C ATOM 49 OG SER A -2 -15.438 11.248 -0.502 1.00 11.89 O ATOM 0 H SER A -2 -16.890 10.836 1.342 1.00 11.93 H new ATOM 0 HA SER A -2 -17.844 12.559 -0.641 1.00 12.17 H new ATOM 0 HB2 SER A -2 -16.751 9.730 -0.975 1.00 12.01 H new ATOM 0 HB3 SER A -2 -16.667 11.032 -2.144 1.00 12.01 H new ATOM 0 HG SER A -2 -14.689 10.799 -0.946 1.00 11.89 H new ATOM 55 N PRO A -1 -20.010 11.763 -1.521 1.00 12.62 N ATOM 56 CA PRO A -1 -21.335 11.365 -2.007 1.00 12.63 C ATOM 57 C PRO A -1 -21.255 10.290 -3.082 1.00 12.19 C ATOM 58 O PRO A -1 -20.659 10.498 -4.143 1.00 12.50 O ATOM 59 CB PRO A -1 -21.921 12.658 -2.588 1.00 13.78 C ATOM 60 CG PRO A -1 -21.104 13.756 -2.001 1.00 14.31 C ATOM 61 CD PRO A -1 -19.735 13.182 -1.793 1.00 13.65 C ATOM 0 HA PRO A -1 -21.942 10.934 -1.211 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -21.862 12.662 -3.676 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -22.973 12.766 -2.325 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -21.069 14.617 -2.668 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -21.531 14.100 -1.059 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -19.106 13.310 -2.674 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -19.219 13.660 -0.960 1.00 13.65 H new ATOM 69 N GLY A 0 -21.836 9.137 -2.793 1.00 11.64 N ATOM 70 CA GLY A 0 -21.838 8.045 -3.744 1.00 11.36 C ATOM 71 C GLY A 0 -20.668 7.111 -3.534 1.00 10.34 C ATOM 72 O GLY A 0 -20.451 6.195 -4.329 1.00 10.25 O ATOM 0 H GLY A 0 -22.309 8.937 -1.912 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -22.769 7.486 -3.653 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -21.805 8.446 -4.757 1.00 11.36 H new ATOM 76 N MET A 1 -19.921 7.359 -2.455 1.00 9.76 N ATOM 77 CA MET A 1 -18.740 6.570 -2.097 1.00 8.91 C ATOM 78 C MET A 1 -17.577 6.849 -3.049 1.00 7.94 C ATOM 79 O MET A 1 -17.775 7.098 -4.242 1.00 7.83 O ATOM 80 CB MET A 1 -19.060 5.069 -2.060 1.00 9.07 C ATOM 81 CG MET A 1 -17.855 4.198 -1.737 1.00 9.23 C ATOM 82 SD MET A 1 -17.078 4.661 -0.180 1.00 9.52 S ATOM 83 CE MET A 1 -15.600 3.653 -0.219 1.00 10.00 C ATOM 0 H MET A 1 -20.120 8.117 -1.802 1.00 9.76 H new ATOM 0 HA MET A 1 -18.438 6.875 -1.095 1.00 8.91 H new ATOM 0 HB2 MET A 1 -19.837 4.890 -1.317 1.00 9.07 H new ATOM 0 HB3 MET A 1 -19.467 4.769 -3.026 1.00 9.07 H new ATOM 0 HG2 MET A 1 -18.166 3.154 -1.690 1.00 9.23 H new ATOM 0 HG3 MET A 1 -17.125 4.277 -2.543 1.00 9.23 H new ATOM 0 HE1 MET A 1 -15.274 3.445 0.800 1.00 10.00 H new ATOM 0 HE2 MET A 1 -15.813 2.714 -0.730 1.00 10.00 H new ATOM 0 HE3 MET A 1 -14.811 4.185 -0.751 1.00 10.00 H new ATOM 93 N ALA A 2 -16.364 6.817 -2.506 1.00 7.42 N ATOM 94 CA ALA A 2 -15.161 7.027 -3.298 1.00 6.49 C ATOM 95 C ALA A 2 -15.079 6.001 -4.420 1.00 5.57 C ATOM 96 O ALA A 2 -15.323 4.810 -4.207 1.00 5.73 O ATOM 97 CB ALA A 2 -13.922 6.951 -2.418 1.00 6.46 C ATOM 0 H ALA A 2 -16.190 6.647 -1.516 1.00 7.42 H new ATOM 0 HA ALA A 2 -15.209 8.022 -3.740 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -13.032 7.110 -3.027 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -13.976 7.719 -1.647 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -13.869 5.969 -1.949 1.00 6.46 H new ATOM 103 N ASP A 3 -14.750 6.471 -5.612 1.00 4.82 N ATOM 104 CA ASP A 3 -14.699 5.615 -6.788 1.00 4.07 C ATOM 105 C ASP A 3 -13.545 4.634 -6.691 1.00 3.42 C ATOM 106 O ASP A 3 -12.635 4.813 -5.884 1.00 3.36 O ATOM 107 CB ASP A 3 -14.571 6.449 -8.057 1.00 3.92 C ATOM 108 CG ASP A 3 -15.732 7.400 -8.252 1.00 3.91 C ATOM 109 OD1 ASP A 3 -16.756 6.985 -8.837 1.00 4.05 O ATOM 110 OD2 ASP A 3 -15.628 8.572 -7.827 1.00 4.23 O ATOM 0 H ASP A 3 -14.513 7.447 -5.792 1.00 4.82 H new ATOM 0 HA ASP A 3 -15.631 5.052 -6.833 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -13.643 7.019 -8.020 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -14.503 5.784 -8.918 1.00 3.92 H new ATOM 115 N GLN A 4 -13.595 3.604 -7.523 1.00 3.34 N ATOM 116 CA GLN A 4 -12.605 2.534 -7.503 1.00 3.48 C ATOM 117 C GLN A 4 -11.191 3.054 -7.761 1.00 2.99 C ATOM 118 O GLN A 4 -10.215 2.448 -7.319 1.00 3.54 O ATOM 119 CB GLN A 4 -12.980 1.463 -8.529 1.00 4.26 C ATOM 120 CG GLN A 4 -13.122 1.992 -9.947 1.00 4.71 C ATOM 121 CD GLN A 4 -13.557 0.924 -10.927 1.00 5.51 C ATOM 122 OE1 GLN A 4 -12.728 0.252 -11.541 1.00 5.74 O ATOM 123 NE2 GLN A 4 -14.861 0.758 -11.080 1.00 6.23 N ATOM 0 H GLN A 4 -14.321 3.485 -8.230 1.00 3.34 H new ATOM 0 HA GLN A 4 -12.606 2.096 -6.505 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -12.221 0.681 -8.518 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -13.920 0.999 -8.229 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -13.848 2.805 -9.956 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -12.169 2.411 -10.271 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -15.514 1.336 -10.552 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -15.213 0.052 -11.726 1.00 6.23 H new ATOM 132 N ARG A 5 -11.083 4.176 -8.467 1.00 2.50 N ATOM 133 CA ARG A 5 -9.790 4.803 -8.704 1.00 2.68 C ATOM 134 C ARG A 5 -9.199 5.360 -7.416 1.00 2.06 C ATOM 135 O ARG A 5 -7.973 5.426 -7.272 1.00 2.58 O ATOM 136 CB ARG A 5 -9.911 5.915 -9.732 1.00 3.25 C ATOM 137 CG ARG A 5 -9.561 5.468 -11.135 1.00 4.11 C ATOM 138 CD ARG A 5 -8.126 4.977 -11.213 1.00 4.98 C ATOM 139 NE ARG A 5 -7.173 5.951 -10.682 1.00 5.72 N ATOM 140 CZ ARG A 5 -5.858 5.893 -10.882 1.00 6.72 C ATOM 141 NH1 ARG A 5 -5.340 4.951 -11.659 1.00 7.07 N ATOM 142 NH2 ARG A 5 -5.067 6.791 -10.312 1.00 7.54 N ATOM 0 H ARG A 5 -11.874 4.667 -8.883 1.00 2.50 H new ATOM 0 HA ARG A 5 -9.121 4.032 -9.087 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -10.931 6.300 -9.724 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -9.257 6.739 -9.446 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -10.238 4.672 -11.445 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -9.703 6.296 -11.829 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -8.034 4.043 -10.658 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -7.876 4.757 -12.251 1.00 4.98 H new ATOM 0 HE ARG A 5 -7.538 6.723 -10.124 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -5.950 4.267 -12.107 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -4.332 4.911 -11.809 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -5.466 7.522 -9.723 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -4.059 6.751 -10.462 1.00 7.54 H new ATOM 156 N GLN A 6 -10.080 5.743 -6.489 1.00 1.28 N ATOM 157 CA GLN A 6 -9.688 6.294 -5.190 1.00 0.78 C ATOM 158 C GLN A 6 -9.112 7.699 -5.353 1.00 0.83 C ATOM 159 O GLN A 6 -8.123 7.912 -6.050 1.00 1.14 O ATOM 160 CB GLN A 6 -8.712 5.368 -4.488 1.00 0.87 C ATOM 161 CG GLN A 6 -9.165 3.915 -4.474 1.00 0.82 C ATOM 162 CD GLN A 6 -10.494 3.645 -3.794 1.00 1.10 C ATOM 163 OE1 GLN A 6 -10.914 4.358 -2.888 1.00 1.97 O ATOM 164 NE2 GLN A 6 -11.149 2.574 -4.226 1.00 1.15 N ATOM 0 H GLN A 6 -11.090 5.679 -6.619 1.00 1.28 H new ATOM 0 HA GLN A 6 -10.576 6.372 -4.563 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -7.741 5.434 -4.980 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.573 5.708 -3.462 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -9.227 3.563 -5.504 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -8.398 3.319 -3.980 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -10.762 2.010 -4.983 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -12.040 2.315 -3.801 1.00 1.15 H new ATOM 173 N ARG A 7 -9.742 8.653 -4.684 1.00 0.84 N ATOM 174 CA ARG A 7 -9.485 10.077 -4.910 1.00 1.03 C ATOM 175 C ARG A 7 -8.150 10.571 -4.342 1.00 0.98 C ATOM 176 O ARG A 7 -7.801 11.740 -4.511 1.00 1.17 O ATOM 177 CB ARG A 7 -10.643 10.898 -4.327 1.00 1.18 C ATOM 178 CG ARG A 7 -11.108 10.440 -2.949 1.00 1.16 C ATOM 179 CD ARG A 7 -10.169 10.900 -1.844 1.00 1.14 C ATOM 180 NE ARG A 7 -10.252 12.345 -1.621 1.00 1.61 N ATOM 181 CZ ARG A 7 -9.962 12.938 -0.463 1.00 1.80 C ATOM 182 NH1 ARG A 7 -9.572 12.211 0.579 1.00 1.51 N ATOM 183 NH2 ARG A 7 -10.063 14.259 -0.346 1.00 2.67 N ATOM 0 H ARG A 7 -10.446 8.468 -3.969 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.415 10.214 -5.989 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -10.337 11.942 -4.265 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.487 10.853 -5.015 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -12.109 10.827 -2.758 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -11.179 9.352 -2.934 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -10.412 10.376 -0.920 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -9.145 10.631 -2.103 1.00 1.14 H new ATOM 0 HE ARG A 7 -10.550 12.933 -2.399 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -9.494 11.198 0.493 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -9.350 12.666 1.464 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -10.363 14.820 -1.143 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -9.841 14.711 0.541 1.00 2.67 H new ATOM 197 N SER A 8 -7.404 9.705 -3.677 1.00 0.77 N ATOM 198 CA SER A 8 -6.168 10.102 -3.061 1.00 0.75 C ATOM 199 C SER A 8 -4.962 9.736 -3.930 1.00 0.75 C ATOM 200 O SER A 8 -4.370 10.596 -4.583 1.00 1.06 O ATOM 201 CB SER A 8 -6.082 9.420 -1.711 1.00 0.65 C ATOM 202 OG SER A 8 -7.141 9.832 -0.863 1.00 1.38 O ATOM 0 H SER A 8 -7.642 8.721 -3.555 1.00 0.77 H new ATOM 0 HA SER A 8 -6.150 11.185 -2.943 1.00 0.75 H new ATOM 0 HB2 SER A 8 -6.118 8.339 -1.843 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.126 9.653 -1.243 1.00 0.65 H new ATOM 0 HG SER A 8 -7.064 9.377 0.001 1.00 1.38 H new ATOM 208 N LEU A 9 -4.614 8.461 -3.944 1.00 0.54 N ATOM 209 CA LEU A 9 -3.468 7.981 -4.700 1.00 0.53 C ATOM 210 C LEU A 9 -3.925 7.180 -5.925 1.00 0.55 C ATOM 211 O LEU A 9 -5.097 7.226 -6.300 1.00 0.59 O ATOM 212 CB LEU A 9 -2.509 7.161 -3.800 1.00 0.44 C ATOM 213 CG LEU A 9 -3.109 6.040 -2.931 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.624 6.583 -1.610 1.00 0.66 C ATOM 215 CD2 LEU A 9 -4.217 5.309 -3.661 1.00 0.65 C ATOM 0 H LEU A 9 -5.114 7.732 -3.435 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.909 8.844 -5.061 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.750 6.715 -4.442 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.996 7.858 -3.137 1.00 0.44 H new ATOM 0 HG LEU A 9 -2.308 5.331 -2.724 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -4.041 5.768 -1.019 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.803 7.045 -1.062 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -4.398 7.327 -1.799 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.619 4.524 -3.020 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -5.010 6.012 -3.915 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.820 4.864 -4.573 1.00 0.65 H new HETATM 227 N SEP A 10 -3.008 6.436 -6.526 1.00 0.56 N HETATM 228 CA SEP A 10 -3.316 5.657 -7.709 1.00 0.60 C HETATM 229 CB SEP A 10 -2.201 5.785 -8.741 1.00 0.74 C HETATM 230 OG SEP A 10 -2.098 7.123 -9.218 1.00 1.08 O HETATM 231 C SEP A 10 -3.488 4.203 -7.333 1.00 0.47 C HETATM 232 O SEP A 10 -2.540 3.555 -6.894 1.00 0.46 O HETATM 233 P SEP A 10 -0.529 7.486 -9.285 1.00 1.55 P HETATM 234 O1P SEP A 10 0.022 7.520 -7.807 1.00 2.41 O HETATM 235 O2P SEP A 10 -0.405 8.981 -9.807 1.00 2.39 O HETATM 236 O3P SEP A 10 0.133 6.489 -10.176 1.00 2.04 O HETATM 0 HB3 SEP A 10 -1.253 5.479 -8.298 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -2.394 5.111 -9.576 1.00 0.74 H new HETATM 0 HA SEP A 10 -4.242 6.037 -8.142 1.00 0.60 H new HETATM 0 H SEP A 10 -2.139 6.968 -6.478 1.00 0.56 H new ATOM 241 N THR A 11 -4.696 3.694 -7.476 1.00 0.43 N ATOM 242 CA THR A 11 -4.959 2.318 -7.133 1.00 0.36 C ATOM 243 C THR A 11 -4.438 1.353 -8.171 1.00 0.37 C ATOM 244 O THR A 11 -5.105 1.052 -9.162 1.00 0.44 O ATOM 245 CB THR A 11 -6.442 2.061 -6.900 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.231 2.887 -7.766 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.775 2.327 -5.453 1.00 0.54 C ATOM 0 H THR A 11 -5.503 4.211 -7.825 1.00 0.43 H new ATOM 0 HA THR A 11 -4.421 2.142 -6.202 1.00 0.36 H new ATOM 0 HB THR A 11 -6.671 1.020 -7.128 1.00 0.44 H new ATOM 0 HG1 THR A 11 -7.319 3.781 -7.374 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.836 2.144 -5.284 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.187 1.666 -4.817 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.543 3.364 -5.211 1.00 0.54 H new ATOM 255 N SER A 12 -3.230 0.895 -7.949 1.00 0.36 N ATOM 256 CA SER A 12 -2.691 -0.190 -8.718 1.00 0.40 C ATOM 257 C SER A 12 -2.210 -1.281 -7.775 1.00 0.34 C ATOM 258 O SER A 12 -1.011 -1.457 -7.554 1.00 0.41 O ATOM 259 CB SER A 12 -1.554 0.319 -9.608 1.00 0.53 C ATOM 260 OG SER A 12 -0.742 1.248 -8.904 1.00 1.26 O ATOM 0 H SER A 12 -2.601 1.263 -7.236 1.00 0.36 H new ATOM 0 HA SER A 12 -3.461 -0.608 -9.366 1.00 0.40 H new ATOM 0 HB2 SER A 12 -0.946 -0.520 -9.945 1.00 0.53 H new ATOM 0 HB3 SER A 12 -1.967 0.792 -10.499 1.00 0.53 H new ATOM 0 HG SER A 12 -0.020 1.560 -9.489 1.00 1.26 H new ATOM 266 N GLY A 13 -3.164 -2.017 -7.213 1.00 0.28 N ATOM 267 CA GLY A 13 -2.822 -3.146 -6.376 1.00 0.29 C ATOM 268 C GLY A 13 -2.215 -4.259 -7.189 1.00 0.27 C ATOM 269 O GLY A 13 -1.518 -5.124 -6.664 1.00 0.27 O ATOM 0 H GLY A 13 -4.164 -1.850 -7.323 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.120 -2.831 -5.604 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.715 -3.509 -5.866 1.00 0.29 H new ATOM 273 N GLU A 14 -2.465 -4.213 -8.486 1.00 0.28 N ATOM 274 CA GLU A 14 -1.970 -5.226 -9.400 1.00 0.26 C ATOM 275 C GLU A 14 -0.450 -5.149 -9.537 1.00 0.20 C ATOM 276 O GLU A 14 0.193 -6.107 -9.958 1.00 0.23 O ATOM 277 CB GLU A 14 -2.632 -5.063 -10.768 1.00 0.32 C ATOM 278 CG GLU A 14 -2.413 -3.692 -11.388 1.00 0.35 C ATOM 279 CD GLU A 14 -3.228 -3.484 -12.645 1.00 0.95 C ATOM 280 OE1 GLU A 14 -4.373 -3.001 -12.546 1.00 1.60 O ATOM 281 OE2 GLU A 14 -2.722 -3.804 -13.742 1.00 0.99 O ATOM 0 H GLU A 14 -3.013 -3.478 -8.932 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.223 -6.205 -8.993 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.244 -5.825 -11.444 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.703 -5.241 -10.668 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -2.672 -2.923 -10.660 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.355 -3.567 -11.621 1.00 0.35 H new ATOM 288 N SER A 15 0.115 -4.006 -9.173 1.00 0.21 N ATOM 289 CA SER A 15 1.551 -3.795 -9.274 1.00 0.22 C ATOM 290 C SER A 15 2.253 -4.209 -7.984 1.00 0.19 C ATOM 291 O SER A 15 3.470 -4.249 -7.941 1.00 0.22 O ATOM 292 CB SER A 15 1.860 -2.330 -9.605 1.00 0.31 C ATOM 293 OG SER A 15 3.252 -2.116 -9.782 1.00 0.74 O ATOM 0 H SER A 15 -0.402 -3.208 -8.804 1.00 0.21 H new ATOM 0 HA SER A 15 1.928 -4.420 -10.084 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.329 -2.042 -10.512 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.492 -1.690 -8.803 1.00 0.31 H new ATOM 0 HG SER A 15 3.753 -2.707 -9.182 1.00 0.74 H new ATOM 299 N LEU A 16 1.472 -4.513 -6.946 1.00 0.16 N ATOM 300 CA LEU A 16 1.998 -4.808 -5.601 1.00 0.14 C ATOM 301 C LEU A 16 3.282 -5.638 -5.620 1.00 0.14 C ATOM 302 O LEU A 16 4.297 -5.223 -5.063 1.00 0.16 O ATOM 303 CB LEU A 16 0.935 -5.529 -4.783 1.00 0.16 C ATOM 304 CG LEU A 16 0.323 -4.711 -3.650 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.186 -3.247 -4.042 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.029 -5.288 -3.278 1.00 0.18 C ATOM 0 H LEU A 16 0.455 -4.563 -7.008 1.00 0.16 H new ATOM 0 HA LEU A 16 2.250 -3.850 -5.146 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.136 -5.846 -5.453 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.375 -6.433 -4.361 1.00 0.16 H new ATOM 0 HG LEU A 16 0.987 -4.763 -2.787 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.253 -2.689 -3.215 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.170 -2.839 -4.274 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.457 -3.164 -4.918 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.464 -4.702 -2.468 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.689 -5.256 -4.145 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.907 -6.321 -2.953 1.00 0.18 H new ATOM 318 N TYR A 17 3.242 -6.796 -6.263 1.00 0.17 N ATOM 319 CA TYR A 17 4.415 -7.666 -6.324 1.00 0.20 C ATOM 320 C TYR A 17 5.582 -6.989 -7.048 1.00 0.24 C ATOM 321 O TYR A 17 6.742 -7.192 -6.693 1.00 0.34 O ATOM 322 CB TYR A 17 4.072 -9.009 -6.984 1.00 0.25 C ATOM 323 CG TYR A 17 3.292 -8.910 -8.277 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.934 -8.698 -9.491 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.910 -9.047 -8.281 1.00 0.69 C ATOM 326 CE1 TYR A 17 3.219 -8.622 -10.671 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.190 -8.972 -9.456 1.00 1.08 C ATOM 328 CZ TYR A 17 1.848 -8.759 -10.648 1.00 1.53 C ATOM 329 OH TYR A 17 1.130 -8.682 -11.820 1.00 1.99 O ATOM 0 H TYR A 17 2.419 -7.156 -6.747 1.00 0.17 H new ATOM 0 HA TYR A 17 4.729 -7.860 -5.298 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.999 -9.548 -7.178 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.498 -9.607 -6.277 1.00 0.25 H new ATOM 0 HD1 TYR A 17 5.008 -8.591 -9.513 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.390 -9.215 -7.349 1.00 0.69 H new ATOM 0 HE1 TYR A 17 3.732 -8.456 -11.607 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.115 -9.080 -9.441 1.00 1.08 H new ATOM 0 HH TYR A 17 0.176 -8.800 -11.628 1.00 1.99 H new ATOM 339 N HIS A 18 5.268 -6.152 -8.026 1.00 0.22 N ATOM 340 CA HIS A 18 6.288 -5.460 -8.809 1.00 0.26 C ATOM 341 C HIS A 18 6.794 -4.234 -8.067 1.00 0.23 C ATOM 342 O HIS A 18 7.890 -3.736 -8.335 1.00 0.29 O ATOM 343 CB HIS A 18 5.724 -5.038 -10.175 1.00 0.31 C ATOM 344 CG HIS A 18 6.746 -4.423 -11.084 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.638 -3.148 -11.592 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.913 -4.915 -11.562 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.691 -2.883 -12.340 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.485 -3.937 -12.339 1.00 1.74 N ATOM 0 H HIS A 18 4.310 -5.933 -8.299 1.00 0.22 H new ATOM 0 HA HIS A 18 7.119 -6.149 -8.963 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.292 -5.910 -10.665 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.913 -4.326 -10.020 1.00 0.31 H new ATOM 0 HD2 HIS A 18 8.320 -5.896 -11.368 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.873 -1.957 -12.866 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.374 -4.013 -12.832 1.00 1.74 H new ATOM 357 N VAL A 19 5.989 -3.760 -7.139 1.00 0.17 N ATOM 358 CA VAL A 19 6.302 -2.574 -6.374 1.00 0.16 C ATOM 359 C VAL A 19 7.613 -2.749 -5.606 1.00 0.17 C ATOM 360 O VAL A 19 8.478 -1.871 -5.619 1.00 0.20 O ATOM 361 CB VAL A 19 5.146 -2.243 -5.399 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.566 -1.215 -4.379 1.00 0.18 C ATOM 363 CG2 VAL A 19 3.935 -1.737 -6.158 1.00 0.19 C ATOM 0 H VAL A 19 5.096 -4.189 -6.894 1.00 0.17 H new ATOM 0 HA VAL A 19 6.424 -1.743 -7.069 1.00 0.16 H new ATOM 0 HB VAL A 19 4.886 -3.164 -4.877 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.732 -1.005 -3.710 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.407 -1.598 -3.801 1.00 0.18 H new ATOM 0 HG13 VAL A 19 5.863 -0.298 -4.888 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.134 -1.510 -5.455 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.201 -0.835 -6.708 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.598 -2.502 -6.857 1.00 0.19 H new ATOM 373 N LEU A 20 7.760 -3.899 -4.968 1.00 0.18 N ATOM 374 CA LEU A 20 8.923 -4.164 -4.124 1.00 0.24 C ATOM 375 C LEU A 20 9.688 -5.410 -4.573 1.00 0.27 C ATOM 376 O LEU A 20 10.898 -5.503 -4.377 1.00 0.33 O ATOM 377 CB LEU A 20 8.512 -4.282 -2.651 1.00 0.28 C ATOM 378 CG LEU A 20 7.024 -4.538 -2.392 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.599 -5.888 -2.938 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.726 -4.448 -0.904 1.00 0.28 C ATOM 0 H LEU A 20 7.090 -4.667 -5.016 1.00 0.18 H new ATOM 0 HA LEU A 20 9.597 -3.314 -4.231 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.085 -5.091 -2.197 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.798 -3.363 -2.139 1.00 0.28 H new ATOM 0 HG LEU A 20 6.451 -3.770 -2.912 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.538 -6.043 -2.740 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.776 -5.918 -4.013 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.177 -6.675 -2.454 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.665 -4.632 -0.734 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.314 -5.194 -0.369 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.985 -3.453 -0.541 1.00 0.28 H new ATOM 392 N GLY A 21 8.985 -6.365 -5.174 1.00 0.27 N ATOM 393 CA GLY A 21 9.630 -7.593 -5.611 1.00 0.32 C ATOM 394 C GLY A 21 9.385 -8.766 -4.675 1.00 0.34 C ATOM 395 O GLY A 21 10.326 -9.453 -4.272 1.00 0.65 O ATOM 0 H GLY A 21 7.985 -6.313 -5.366 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.269 -7.850 -6.607 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.703 -7.422 -5.695 1.00 0.32 H new ATOM 399 N LEU A 22 8.123 -9.002 -4.335 1.00 0.19 N ATOM 400 CA LEU A 22 7.735 -10.130 -3.488 1.00 0.16 C ATOM 401 C LEU A 22 6.229 -10.335 -3.624 1.00 0.17 C ATOM 402 O LEU A 22 5.518 -9.408 -4.006 1.00 0.19 O ATOM 403 CB LEU A 22 8.117 -9.866 -2.018 1.00 0.14 C ATOM 404 CG LEU A 22 8.430 -11.110 -1.156 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.759 -12.317 -2.018 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.600 -10.831 -0.232 1.00 0.18 C ATOM 0 H LEU A 22 7.341 -8.421 -4.636 1.00 0.19 H new ATOM 0 HA LEU A 22 8.263 -11.029 -3.806 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.989 -9.212 -2.004 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.301 -9.319 -1.546 1.00 0.14 H new ATOM 0 HG LEU A 22 7.538 -11.331 -0.570 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.974 -13.173 -1.378 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.909 -12.548 -2.660 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.631 -12.097 -2.635 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.808 -11.716 0.369 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.480 -10.579 -0.825 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.354 -9.997 0.425 1.00 0.18 H new ATOM 418 N ASP A 23 5.754 -11.543 -3.335 1.00 0.18 N ATOM 419 CA ASP A 23 4.327 -11.866 -3.414 1.00 0.21 C ATOM 420 C ASP A 23 4.074 -13.308 -3.020 1.00 0.23 C ATOM 421 O ASP A 23 4.456 -14.222 -3.741 1.00 0.26 O ATOM 422 CB ASP A 23 3.748 -11.631 -4.823 1.00 0.29 C ATOM 423 CG ASP A 23 4.302 -12.565 -5.886 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.481 -12.411 -6.275 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.559 -13.467 -6.335 1.00 1.13 O ATOM 0 H ASP A 23 6.341 -12.324 -3.041 1.00 0.18 H new ATOM 0 HA ASP A 23 3.826 -11.194 -2.717 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.665 -11.746 -4.783 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.948 -10.601 -5.119 1.00 0.29 H new ATOM 430 N LYS A 24 3.455 -13.492 -1.850 1.00 0.23 N ATOM 431 CA LYS A 24 2.944 -14.797 -1.364 1.00 0.28 C ATOM 432 C LYS A 24 3.924 -15.971 -1.500 1.00 0.28 C ATOM 433 O LYS A 24 3.553 -17.117 -1.262 1.00 0.34 O ATOM 434 CB LYS A 24 1.616 -15.136 -2.054 1.00 0.35 C ATOM 435 CG LYS A 24 1.713 -15.212 -3.564 1.00 0.37 C ATOM 436 CD LYS A 24 1.626 -16.637 -4.068 1.00 0.43 C ATOM 437 CE LYS A 24 2.851 -16.978 -4.889 1.00 0.50 C ATOM 438 NZ LYS A 24 2.953 -16.135 -6.114 1.00 1.42 N ATOM 0 H LYS A 24 3.287 -12.729 -1.194 1.00 0.23 H new ATOM 0 HA LYS A 24 2.799 -14.666 -0.292 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.253 -16.091 -1.674 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.875 -14.384 -1.784 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.912 -14.621 -4.009 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.654 -14.769 -3.889 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.541 -17.324 -3.226 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.728 -16.762 -4.673 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.745 -16.843 -4.280 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.816 -18.029 -5.174 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.642 -16.556 -6.769 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.023 -16.082 -6.577 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 3.265 -15.178 -5.852 1.00 1.42 H new ATOM 452 N ASN A 25 5.163 -15.696 -1.859 1.00 0.25 N ATOM 453 CA ASN A 25 6.182 -16.724 -1.884 1.00 0.28 C ATOM 454 C ASN A 25 6.937 -16.670 -0.579 1.00 0.25 C ATOM 455 O ASN A 25 7.496 -17.658 -0.101 1.00 0.31 O ATOM 456 CB ASN A 25 7.171 -16.528 -3.038 1.00 0.31 C ATOM 457 CG ASN A 25 6.626 -16.956 -4.386 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.744 -18.118 -4.776 1.00 0.40 O ATOM 459 ND2 ASN A 25 6.053 -16.019 -5.118 1.00 0.37 N ATOM 0 H ASN A 25 5.487 -14.770 -2.137 1.00 0.25 H new ATOM 0 HA ASN A 25 5.694 -17.688 -2.027 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.454 -15.477 -3.088 1.00 0.31 H new ATOM 0 HB3 ASN A 25 8.079 -17.093 -2.827 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.688 -16.246 -6.043 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.975 -15.068 -4.759 1.00 0.37 H new ATOM 466 N ALA A 26 6.939 -15.476 -0.020 1.00 0.20 N ATOM 467 CA ALA A 26 7.635 -15.179 1.207 1.00 0.19 C ATOM 468 C ALA A 26 6.683 -15.222 2.373 1.00 0.19 C ATOM 469 O ALA A 26 5.468 -15.107 2.205 1.00 0.24 O ATOM 470 CB ALA A 26 8.261 -13.809 1.099 1.00 0.18 C ATOM 0 H ALA A 26 6.448 -14.675 -0.416 1.00 0.20 H new ATOM 0 HA ALA A 26 8.412 -15.925 1.372 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.790 -13.577 2.023 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.964 -13.795 0.266 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.482 -13.065 0.930 1.00 0.18 H new ATOM 476 N THR A 27 7.247 -15.391 3.541 1.00 0.21 N ATOM 477 CA THR A 27 6.486 -15.394 4.763 1.00 0.24 C ATOM 478 C THR A 27 6.282 -13.961 5.224 1.00 0.21 C ATOM 479 O THR A 27 6.747 -13.024 4.567 1.00 0.21 O ATOM 480 CB THR A 27 7.235 -16.185 5.847 1.00 0.30 C ATOM 481 OG1 THR A 27 8.337 -15.416 6.341 1.00 0.33 O ATOM 482 CG2 THR A 27 7.766 -17.483 5.272 1.00 0.35 C ATOM 0 H THR A 27 8.249 -15.531 3.672 1.00 0.21 H new ATOM 0 HA THR A 27 5.519 -15.866 4.588 1.00 0.24 H new ATOM 0 HB THR A 27 6.540 -16.400 6.659 1.00 0.30 H new ATOM 0 HG1 THR A 27 8.808 -15.926 7.033 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.295 -18.035 6.049 1.00 0.35 H new ATOM 0 HG22 THR A 27 6.935 -18.083 4.901 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.450 -17.265 4.452 1.00 0.35 H new ATOM 490 N SER A 28 5.609 -13.781 6.350 1.00 0.26 N ATOM 491 CA SER A 28 5.455 -12.459 6.938 1.00 0.32 C ATOM 492 C SER A 28 6.817 -11.869 7.290 1.00 0.31 C ATOM 493 O SER A 28 6.937 -10.687 7.593 1.00 0.41 O ATOM 494 CB SER A 28 4.547 -12.514 8.171 1.00 0.40 C ATOM 495 OG SER A 28 4.264 -11.211 8.661 1.00 1.54 O ATOM 0 H SER A 28 5.161 -14.533 6.875 1.00 0.26 H new ATOM 0 HA SER A 28 4.982 -11.809 6.202 1.00 0.32 H new ATOM 0 HB2 SER A 28 3.615 -13.020 7.917 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.027 -13.103 8.953 1.00 0.40 H new ATOM 0 HG SER A 28 3.682 -11.276 9.447 1.00 1.54 H new ATOM 501 N ASP A 29 7.841 -12.701 7.265 1.00 0.27 N ATOM 502 CA ASP A 29 9.193 -12.234 7.493 1.00 0.34 C ATOM 503 C ASP A 29 9.758 -11.595 6.227 1.00 0.32 C ATOM 504 O ASP A 29 10.114 -10.418 6.237 1.00 0.44 O ATOM 505 CB ASP A 29 10.098 -13.376 7.955 1.00 0.38 C ATOM 506 CG ASP A 29 11.481 -12.886 8.340 1.00 0.97 C ATOM 507 OD1 ASP A 29 11.634 -12.346 9.457 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.422 -13.042 7.534 1.00 1.68 O ATOM 0 H ASP A 29 7.761 -13.703 7.089 1.00 0.27 H new ATOM 0 HA ASP A 29 9.160 -11.483 8.283 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.641 -13.878 8.808 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.184 -14.115 7.158 1.00 0.38 H new ATOM 513 N ASP A 30 9.791 -12.345 5.121 1.00 0.22 N ATOM 514 CA ASP A 30 10.477 -11.881 3.915 1.00 0.21 C ATOM 515 C ASP A 30 9.690 -10.792 3.200 1.00 0.16 C ATOM 516 O ASP A 30 10.266 -9.779 2.798 1.00 0.17 O ATOM 517 CB ASP A 30 10.764 -13.046 2.969 1.00 0.23 C ATOM 518 CG ASP A 30 11.945 -13.886 3.406 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.094 -13.498 3.110 1.00 1.81 O ATOM 520 OD2 ASP A 30 11.731 -14.950 4.030 1.00 1.22 O ATOM 0 H ASP A 30 9.356 -13.264 5.037 1.00 0.22 H new ATOM 0 HA ASP A 30 11.426 -11.448 4.230 1.00 0.21 H new ATOM 0 HB2 ASP A 30 9.879 -13.679 2.903 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.953 -12.656 1.969 1.00 0.23 H new ATOM 525 N ILE A 31 8.383 -11.006 3.033 1.00 0.14 N ATOM 526 CA ILE A 31 7.492 -10.007 2.442 1.00 0.14 C ATOM 527 C ILE A 31 7.766 -8.608 2.998 1.00 0.14 C ATOM 528 O ILE A 31 7.922 -7.647 2.244 1.00 0.16 O ATOM 529 CB ILE A 31 6.009 -10.348 2.710 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.626 -11.703 2.105 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.104 -9.249 2.170 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.569 -11.718 0.597 1.00 0.42 C ATOM 0 H ILE A 31 7.915 -11.872 3.302 1.00 0.14 H new ATOM 0 HA ILE A 31 7.688 -10.019 1.370 1.00 0.14 H new ATOM 0 HB ILE A 31 5.874 -10.416 3.789 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.345 -12.452 2.437 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.653 -12.000 2.496 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.063 -9.505 2.367 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.345 -8.306 2.660 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.256 -9.148 1.095 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.291 -12.714 0.253 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.828 -10.996 0.254 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.547 -11.455 0.193 1.00 0.42 H new ATOM 544 N LYS A 32 7.844 -8.506 4.321 1.00 0.17 N ATOM 545 CA LYS A 32 7.998 -7.214 4.975 1.00 0.21 C ATOM 546 C LYS A 32 9.380 -6.619 4.713 1.00 0.20 C ATOM 547 O LYS A 32 9.515 -5.409 4.551 1.00 0.21 O ATOM 548 CB LYS A 32 7.757 -7.337 6.479 1.00 0.29 C ATOM 549 CG LYS A 32 6.435 -7.999 6.818 1.00 0.33 C ATOM 550 CD LYS A 32 5.261 -7.278 6.188 1.00 0.35 C ATOM 551 CE LYS A 32 4.022 -8.153 6.163 1.00 0.43 C ATOM 552 NZ LYS A 32 3.588 -8.566 7.527 1.00 0.88 N ATOM 0 H LYS A 32 7.803 -9.301 4.959 1.00 0.17 H new ATOM 0 HA LYS A 32 7.252 -6.541 4.552 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.569 -7.911 6.925 1.00 0.29 H new ATOM 0 HB3 LYS A 32 7.785 -6.344 6.928 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.450 -9.034 6.477 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.308 -8.022 7.900 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.052 -6.365 6.745 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.518 -6.980 5.172 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.210 -7.614 5.675 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.221 -9.042 5.564 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.549 -8.564 7.576 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 3.943 -9.523 7.729 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.969 -7.900 8.229 1.00 0.88 H new ATOM 566 N LYS A 33 10.399 -7.471 4.660 1.00 0.21 N ATOM 567 CA LYS A 33 11.768 -7.014 4.420 1.00 0.22 C ATOM 568 C LYS A 33 11.898 -6.465 3.009 1.00 0.19 C ATOM 569 O LYS A 33 12.604 -5.483 2.780 1.00 0.19 O ATOM 570 CB LYS A 33 12.768 -8.156 4.593 1.00 0.28 C ATOM 571 CG LYS A 33 12.621 -8.928 5.890 1.00 0.35 C ATOM 572 CD LYS A 33 12.771 -8.038 7.109 1.00 0.49 C ATOM 573 CE LYS A 33 12.647 -8.841 8.392 1.00 0.62 C ATOM 574 NZ LYS A 33 13.723 -9.859 8.516 1.00 1.41 N ATOM 0 H LYS A 33 10.306 -8.480 4.779 1.00 0.21 H new ATOM 0 HA LYS A 33 11.987 -6.233 5.148 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.658 -8.848 3.758 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.778 -7.749 4.539 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.644 -9.412 5.914 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.370 -9.719 5.926 1.00 0.35 H new ATOM 0 HD2 LYS A 33 13.739 -7.539 7.081 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.010 -7.258 7.090 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.685 -8.166 9.247 1.00 0.62 H new ATOM 0 HE3 LYS A 33 11.676 -9.335 8.419 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.750 -10.219 9.491 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.534 -10.645 7.862 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.639 -9.426 8.281 1.00 1.41 H new ATOM 588 N SER A 34 11.207 -7.110 2.072 1.00 0.18 N ATOM 589 CA SER A 34 11.192 -6.678 0.682 1.00 0.18 C ATOM 590 C SER A 34 10.703 -5.242 0.591 1.00 0.19 C ATOM 591 O SER A 34 11.090 -4.495 -0.306 1.00 0.30 O ATOM 592 CB SER A 34 10.288 -7.589 -0.148 1.00 0.21 C ATOM 593 OG SER A 34 10.384 -7.297 -1.533 1.00 0.26 O ATOM 0 H SER A 34 10.646 -7.942 2.256 1.00 0.18 H new ATOM 0 HA SER A 34 12.206 -6.737 0.287 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.562 -8.630 0.025 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.255 -7.473 0.178 1.00 0.21 H new ATOM 0 HG SER A 34 10.846 -8.030 -1.991 1.00 0.26 H new ATOM 599 N TYR A 35 9.844 -4.872 1.529 1.00 0.17 N ATOM 600 CA TYR A 35 9.388 -3.502 1.649 1.00 0.18 C ATOM 601 C TYR A 35 10.451 -2.653 2.316 1.00 0.18 C ATOM 602 O TYR A 35 10.861 -1.648 1.782 1.00 0.26 O ATOM 603 CB TYR A 35 8.088 -3.426 2.460 1.00 0.22 C ATOM 604 CG TYR A 35 7.873 -2.090 3.156 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.520 -0.955 2.442 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.030 -1.968 4.533 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.329 0.261 3.074 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.839 -0.756 5.172 1.00 0.38 C ATOM 609 CZ TYR A 35 7.489 0.355 4.439 1.00 0.42 C ATOM 610 OH TYR A 35 7.303 1.566 5.072 1.00 0.51 O ATOM 0 H TYR A 35 9.449 -5.509 2.221 1.00 0.17 H new ATOM 0 HA TYR A 35 9.197 -3.122 0.646 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.245 -3.618 1.796 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.091 -4.218 3.209 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.392 -1.021 1.372 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.306 -2.836 5.114 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.055 1.133 2.499 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.964 -0.682 6.242 1.00 0.38 H new ATOM 0 HH TYR A 35 6.416 1.918 4.851 1.00 0.51 H new ATOM 620 N ARG A 36 10.913 -3.103 3.467 1.00 0.16 N ATOM 621 CA ARG A 36 11.710 -2.275 4.369 1.00 0.19 C ATOM 622 C ARG A 36 12.996 -1.767 3.742 1.00 0.21 C ATOM 623 O ARG A 36 13.146 -0.571 3.535 1.00 0.23 O ATOM 624 CB ARG A 36 12.026 -3.031 5.641 1.00 0.25 C ATOM 625 CG ARG A 36 10.786 -3.334 6.446 1.00 0.29 C ATOM 626 CD ARG A 36 11.122 -3.883 7.811 1.00 0.42 C ATOM 627 NE ARG A 36 9.918 -4.160 8.588 1.00 0.83 N ATOM 628 CZ ARG A 36 9.851 -5.050 9.571 1.00 1.30 C ATOM 629 NH1 ARG A 36 10.931 -5.731 9.928 1.00 1.53 N ATOM 630 NH2 ARG A 36 8.702 -5.249 10.204 1.00 1.74 N ATOM 0 H ARG A 36 10.750 -4.050 3.808 1.00 0.16 H new ATOM 0 HA ARG A 36 11.100 -1.401 4.596 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.532 -3.964 5.391 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.717 -2.446 6.248 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.193 -2.426 6.556 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.170 -4.054 5.907 1.00 0.29 H new ATOM 0 HD2 ARG A 36 11.705 -4.798 7.703 1.00 0.42 H new ATOM 0 HD3 ARG A 36 11.746 -3.169 8.348 1.00 0.42 H new ATOM 0 HE ARG A 36 9.073 -3.636 8.361 1.00 0.83 H new ATOM 0 HH11 ARG A 36 11.816 -5.572 9.447 1.00 1.53 H new ATOM 0 HH12 ARG A 36 10.877 -6.414 10.684 1.00 1.53 H new ATOM 0 HH21 ARG A 36 7.873 -4.719 9.935 1.00 1.74 H new ATOM 0 HH22 ARG A 36 8.648 -5.932 10.960 1.00 1.74 H new ATOM 644 N LYS A 37 13.915 -2.668 3.431 1.00 0.35 N ATOM 645 CA LYS A 37 15.227 -2.270 2.910 1.00 0.45 C ATOM 646 C LYS A 37 15.085 -1.492 1.598 1.00 0.40 C ATOM 647 O LYS A 37 15.983 -0.757 1.187 1.00 0.43 O ATOM 648 CB LYS A 37 16.107 -3.503 2.694 1.00 0.67 C ATOM 649 CG LYS A 37 15.491 -4.533 1.762 1.00 0.78 C ATOM 650 CD LYS A 37 16.469 -5.645 1.431 1.00 1.04 C ATOM 651 CE LYS A 37 15.843 -6.666 0.497 1.00 0.85 C ATOM 652 NZ LYS A 37 16.837 -7.655 0.011 1.00 1.37 N ATOM 0 H LYS A 37 13.785 -3.675 3.527 1.00 0.35 H new ATOM 0 HA LYS A 37 15.699 -1.618 3.645 1.00 0.45 H new ATOM 0 HB2 LYS A 37 17.068 -3.187 2.288 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.306 -3.971 3.658 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.601 -4.957 2.226 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.169 -4.045 0.842 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.361 -5.223 0.968 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.789 -6.137 2.350 1.00 1.04 H new ATOM 0 HE2 LYS A 37 15.037 -7.186 1.015 1.00 0.85 H new ATOM 0 HE3 LYS A 37 15.396 -6.153 -0.354 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 16.370 -8.334 -0.623 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 17.593 -7.162 -0.506 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 17.246 -8.163 0.821 1.00 1.37 H new ATOM 666 N LEU A 38 13.947 -1.676 0.959 1.00 0.45 N ATOM 667 CA LEU A 38 13.620 -1.027 -0.295 1.00 0.61 C ATOM 668 C LEU A 38 12.855 0.288 -0.014 1.00 0.60 C ATOM 669 O LEU A 38 12.844 1.209 -0.827 1.00 0.76 O ATOM 670 CB LEU A 38 12.861 -2.096 -1.131 1.00 1.00 C ATOM 671 CG LEU A 38 11.727 -1.695 -2.079 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.501 -1.261 -1.300 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.170 -0.633 -3.069 1.00 0.44 C ATOM 0 H LEU A 38 13.210 -2.292 1.303 1.00 0.45 H new ATOM 0 HA LEU A 38 14.483 -0.702 -0.876 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.606 -2.622 -1.728 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.448 -2.818 -0.427 1.00 1.00 H new ATOM 0 HG LEU A 38 11.455 -2.574 -2.663 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.709 -0.981 -1.994 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.159 -2.084 -0.672 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.752 -0.406 -0.673 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.337 -0.376 -3.724 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.494 0.256 -2.528 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.997 -1.016 -3.667 1.00 0.44 H new ATOM 685 N ALA A 39 12.290 0.383 1.186 1.00 0.49 N ATOM 686 CA ALA A 39 11.461 1.517 1.593 1.00 0.59 C ATOM 687 C ALA A 39 12.303 2.707 2.004 1.00 0.57 C ATOM 688 O ALA A 39 12.158 3.792 1.441 1.00 0.72 O ATOM 689 CB ALA A 39 10.537 1.125 2.733 1.00 0.59 C ATOM 0 H ALA A 39 12.394 -0.329 1.909 1.00 0.49 H new ATOM 0 HA ALA A 39 10.863 1.805 0.728 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.929 1.983 3.020 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.887 0.311 2.411 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.131 0.799 3.587 1.00 0.59 H new ATOM 695 N LEU A 40 13.193 2.523 2.982 1.00 0.44 N ATOM 696 CA LEU A 40 14.083 3.617 3.370 1.00 0.51 C ATOM 697 C LEU A 40 15.040 3.958 2.230 1.00 0.46 C ATOM 698 O LEU A 40 15.729 4.972 2.258 1.00 0.58 O ATOM 699 CB LEU A 40 14.852 3.365 4.693 1.00 0.56 C ATOM 700 CG LEU A 40 15.415 1.957 4.983 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.346 1.061 5.582 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.019 1.313 3.746 1.00 0.44 C ATOM 0 H LEU A 40 13.315 1.656 3.505 1.00 0.44 H new ATOM 0 HA LEU A 40 13.441 4.475 3.568 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.687 4.065 4.725 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.185 3.627 5.515 1.00 0.56 H new ATOM 0 HG LEU A 40 16.218 2.079 5.709 1.00 0.51 H new ATOM 0 HD11 LEU A 40 14.766 0.074 5.778 1.00 0.48 H new ATOM 0 HD12 LEU A 40 13.989 1.495 6.516 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.515 0.969 4.883 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.401 0.324 4.000 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.255 1.219 2.975 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.835 1.933 3.375 1.00 0.44 H new ATOM 714 N LYS A 41 15.032 3.111 1.213 1.00 0.37 N ATOM 715 CA LYS A 41 15.834 3.306 0.020 1.00 0.40 C ATOM 716 C LYS A 41 15.132 4.287 -0.932 1.00 0.39 C ATOM 717 O LYS A 41 15.761 4.896 -1.798 1.00 0.48 O ATOM 718 CB LYS A 41 16.085 1.927 -0.616 1.00 0.51 C ATOM 719 CG LYS A 41 16.643 1.936 -2.026 1.00 0.62 C ATOM 720 CD LYS A 41 15.525 1.894 -3.050 1.00 0.65 C ATOM 721 CE LYS A 41 16.047 1.622 -4.444 1.00 0.72 C ATOM 722 NZ LYS A 41 17.031 2.650 -4.882 1.00 1.41 N ATOM 0 H LYS A 41 14.464 2.264 1.194 1.00 0.37 H new ATOM 0 HA LYS A 41 16.799 3.753 0.260 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.774 1.375 0.023 1.00 0.51 H new ATOM 0 HB3 LYS A 41 15.145 1.375 -0.622 1.00 0.51 H new ATOM 0 HG2 LYS A 41 17.247 2.831 -2.177 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.302 1.079 -2.166 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.808 1.121 -2.773 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.989 2.843 -3.042 1.00 0.65 H new ATOM 0 HE2 LYS A 41 16.515 0.638 -4.470 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.213 1.597 -5.145 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.286 2.485 -5.876 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 16.611 3.596 -4.785 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.884 2.588 -4.291 1.00 1.41 H new ATOM 736 N TYR A 42 13.827 4.454 -0.740 1.00 0.36 N ATOM 737 CA TYR A 42 13.047 5.429 -1.502 1.00 0.36 C ATOM 738 C TYR A 42 12.635 6.597 -0.622 1.00 0.40 C ATOM 739 O TYR A 42 11.864 7.457 -1.034 1.00 0.40 O ATOM 740 CB TYR A 42 11.798 4.783 -2.094 1.00 0.33 C ATOM 741 CG TYR A 42 12.039 4.119 -3.423 1.00 0.36 C ATOM 742 CD1 TYR A 42 11.923 4.827 -4.602 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.383 2.780 -3.491 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.147 4.221 -5.821 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.609 2.162 -4.706 1.00 0.43 C ATOM 746 CZ TYR A 42 12.480 2.900 -5.877 1.00 0.45 C ATOM 747 OH TYR A 42 12.718 2.288 -7.086 1.00 0.52 O ATOM 0 H TYR A 42 13.283 3.924 -0.059 1.00 0.36 H new ATOM 0 HA TYR A 42 13.679 5.794 -2.311 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.413 4.044 -1.392 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.026 5.543 -2.211 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.653 5.872 -4.570 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.476 2.209 -2.579 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.058 4.794 -6.732 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.883 1.118 -4.745 1.00 0.43 H new ATOM 0 HH TYR A 42 12.943 1.346 -6.937 1.00 0.52 H new ATOM 757 N HIS A 43 13.153 6.626 0.595 1.00 0.46 N ATOM 758 CA HIS A 43 12.789 7.663 1.547 1.00 0.53 C ATOM 759 C HIS A 43 13.429 8.989 1.144 1.00 0.56 C ATOM 760 O HIS A 43 14.651 9.099 1.121 1.00 0.62 O ATOM 761 CB HIS A 43 13.245 7.273 2.957 1.00 0.62 C ATOM 762 CG HIS A 43 12.266 7.642 4.033 1.00 0.71 C ATOM 763 ND1 HIS A 43 11.603 6.712 4.806 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.857 8.853 4.478 1.00 0.87 C ATOM 765 CE1 HIS A 43 10.828 7.335 5.673 1.00 1.12 C ATOM 766 NE2 HIS A 43 10.967 8.633 5.495 1.00 0.87 N ATOM 0 H HIS A 43 13.826 5.945 0.947 1.00 0.46 H new ATOM 0 HA HIS A 43 11.705 7.774 1.545 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.417 6.197 2.989 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.200 7.755 3.166 1.00 0.62 H new ATOM 0 HD2 HIS A 43 12.174 9.814 4.101 1.00 0.87 H new ATOM 0 HE1 HIS A 43 10.189 6.862 6.404 1.00 1.12 H new ATOM 0 HE2 HIS A 43 10.488 9.358 6.029 1.00 0.87 H new ATOM 775 N PRO A 44 12.617 10.013 0.822 1.00 0.54 N ATOM 776 CA PRO A 44 13.120 11.343 0.427 1.00 0.58 C ATOM 777 C PRO A 44 13.960 11.996 1.520 1.00 0.68 C ATOM 778 O PRO A 44 14.723 12.929 1.266 1.00 0.72 O ATOM 779 CB PRO A 44 11.850 12.160 0.180 1.00 0.58 C ATOM 780 CG PRO A 44 10.760 11.407 0.863 1.00 0.57 C ATOM 781 CD PRO A 44 11.147 9.959 0.794 1.00 0.51 C ATOM 0 HA PRO A 44 13.775 11.279 -0.442 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.945 13.168 0.585 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.649 12.262 -0.886 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.651 11.732 1.898 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.802 11.578 0.372 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.747 9.393 1.635 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.777 9.484 -0.115 1.00 0.51 H new ATOM 789 N ASP A 45 13.807 11.502 2.738 1.00 0.74 N ATOM 790 CA ASP A 45 14.601 11.972 3.863 1.00 0.85 C ATOM 791 C ASP A 45 16.045 11.494 3.717 1.00 0.89 C ATOM 792 O ASP A 45 16.968 12.074 4.286 1.00 0.96 O ATOM 793 CB ASP A 45 13.996 11.469 5.175 1.00 0.92 C ATOM 794 CG ASP A 45 14.693 12.030 6.397 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.771 13.267 6.521 1.00 1.11 O ATOM 796 OD2 ASP A 45 15.183 11.235 7.224 1.00 1.16 O ATOM 0 H ASP A 45 13.136 10.771 2.974 1.00 0.74 H new ATOM 0 HA ASP A 45 14.597 13.062 3.876 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.940 11.738 5.209 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.049 10.381 5.200 1.00 0.92 H new ATOM 801 N LYS A 46 16.225 10.431 2.938 1.00 0.87 N ATOM 802 CA LYS A 46 17.554 9.910 2.631 1.00 0.94 C ATOM 803 C LYS A 46 17.936 10.281 1.206 1.00 0.90 C ATOM 804 O LYS A 46 19.113 10.340 0.857 1.00 0.99 O ATOM 805 CB LYS A 46 17.595 8.387 2.780 1.00 1.00 C ATOM 806 CG LYS A 46 16.985 7.881 4.069 1.00 1.04 C ATOM 807 CD LYS A 46 17.366 6.436 4.336 1.00 1.13 C ATOM 808 CE LYS A 46 16.925 5.986 5.719 1.00 1.57 C ATOM 809 NZ LYS A 46 17.598 6.753 6.800 1.00 2.08 N ATOM 0 H LYS A 46 15.462 9.911 2.505 1.00 0.87 H new ATOM 0 HA LYS A 46 18.261 10.351 3.334 1.00 0.94 H new ATOM 0 HB2 LYS A 46 17.070 7.935 1.939 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.631 8.054 2.725 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.317 8.505 4.899 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.900 7.969 4.018 1.00 1.04 H new ATOM 0 HD2 LYS A 46 16.911 5.794 3.582 1.00 1.13 H new ATOM 0 HD3 LYS A 46 18.446 6.321 4.243 1.00 1.13 H new ATOM 0 HE2 LYS A 46 15.845 6.104 5.810 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.141 4.925 5.840 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 17.486 6.251 7.704 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.610 6.848 6.580 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.170 7.698 6.874 1.00 2.08 H new ATOM 823 N ASN A 47 16.920 10.536 0.391 1.00 0.79 N ATOM 824 CA ASN A 47 17.116 10.876 -1.008 1.00 0.77 C ATOM 825 C ASN A 47 16.447 12.209 -1.311 1.00 0.74 C ATOM 826 O ASN A 47 15.339 12.257 -1.847 1.00 0.66 O ATOM 827 CB ASN A 47 16.552 9.786 -1.928 1.00 0.69 C ATOM 828 CG ASN A 47 17.077 8.404 -1.587 1.00 0.74 C ATOM 829 OD1 ASN A 47 18.090 7.962 -2.131 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.396 7.717 -0.679 1.00 0.71 N ATOM 0 H ASN A 47 15.943 10.513 0.682 1.00 0.79 H new ATOM 0 HA ASN A 47 18.187 10.954 -1.194 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.464 9.784 -1.859 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.805 10.022 -2.962 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.707 6.784 -0.407 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.562 8.121 -0.253 1.00 0.71 H new ATOM 837 N PRO A 48 17.093 13.304 -0.905 1.00 0.82 N ATOM 838 CA PRO A 48 16.620 14.666 -1.166 1.00 0.84 C ATOM 839 C PRO A 48 16.567 14.980 -2.653 1.00 0.84 C ATOM 840 O PRO A 48 17.207 14.301 -3.461 1.00 0.86 O ATOM 841 CB PRO A 48 17.669 15.548 -0.484 1.00 0.93 C ATOM 842 CG PRO A 48 18.876 14.682 -0.386 1.00 0.99 C ATOM 843 CD PRO A 48 18.345 13.305 -0.140 1.00 0.92 C ATOM 0 HA PRO A 48 15.606 14.819 -0.797 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.871 16.447 -1.066 1.00 0.93 H new ATOM 0 HB3 PRO A 48 17.334 15.875 0.500 1.00 0.93 H new ATOM 0 HG2 PRO A 48 19.465 14.720 -1.303 1.00 0.99 H new ATOM 0 HG3 PRO A 48 19.528 15.004 0.426 1.00 0.99 H new ATOM 0 HD2 PRO A 48 19.034 12.536 -0.489 1.00 0.92 H new ATOM 0 HD3 PRO A 48 18.172 13.120 0.920 1.00 0.92 H new ATOM 851 N ASP A 49 15.774 15.990 -3.001 1.00 0.85 N ATOM 852 CA ASP A 49 15.641 16.449 -4.384 1.00 0.89 C ATOM 853 C ASP A 49 14.856 15.430 -5.208 1.00 0.82 C ATOM 854 O ASP A 49 14.774 15.520 -6.432 1.00 0.88 O ATOM 855 CB ASP A 49 17.027 16.715 -4.999 1.00 0.98 C ATOM 856 CG ASP A 49 16.970 17.473 -6.310 1.00 1.08 C ATOM 857 OD1 ASP A 49 16.816 18.712 -6.284 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.060 16.830 -7.379 1.00 1.09 O ATOM 0 H ASP A 49 15.206 16.513 -2.335 1.00 0.85 H new ATOM 0 HA ASP A 49 15.087 17.387 -4.391 1.00 0.89 H new ATOM 0 HB2 ASP A 49 17.629 17.280 -4.287 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.533 15.763 -5.160 1.00 0.98 H new ATOM 863 N ASN A 50 14.252 14.466 -4.524 1.00 0.74 N ATOM 864 CA ASN A 50 13.458 13.447 -5.193 1.00 0.68 C ATOM 865 C ASN A 50 12.063 13.386 -4.583 1.00 0.64 C ATOM 866 O ASN A 50 11.833 12.696 -3.588 1.00 0.61 O ATOM 867 CB ASN A 50 14.125 12.070 -5.113 1.00 0.65 C ATOM 868 CG ASN A 50 13.548 11.096 -6.118 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.405 11.232 -6.556 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.329 10.098 -6.480 1.00 0.74 N ATOM 0 H ASN A 50 14.297 14.370 -3.510 1.00 0.74 H new ATOM 0 HA ASN A 50 13.382 13.722 -6.245 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.196 12.176 -5.286 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.003 11.667 -4.108 1.00 0.65 H new ATOM 0 HD21 ASN A 50 13.992 9.403 -7.146 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.270 10.021 -6.094 1.00 0.74 H new ATOM 877 N PRO A 51 11.122 14.137 -5.160 1.00 0.67 N ATOM 878 CA PRO A 51 9.732 14.158 -4.711 1.00 0.68 C ATOM 879 C PRO A 51 8.995 12.901 -5.148 1.00 0.66 C ATOM 880 O PRO A 51 8.080 12.431 -4.474 1.00 0.67 O ATOM 881 CB PRO A 51 9.140 15.396 -5.398 1.00 0.78 C ATOM 882 CG PRO A 51 10.290 16.084 -6.060 1.00 0.79 C ATOM 883 CD PRO A 51 11.332 15.037 -6.292 1.00 0.73 C ATOM 0 HA PRO A 51 9.647 14.193 -3.625 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.381 15.113 -6.128 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.657 16.052 -4.674 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.981 16.539 -7.001 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.678 16.885 -5.431 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.194 14.530 -7.247 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.338 15.457 -6.297 1.00 0.73 H new ATOM 891 N GLU A 52 9.424 12.356 -6.280 1.00 0.66 N ATOM 892 CA GLU A 52 8.854 11.127 -6.812 1.00 0.67 C ATOM 893 C GLU A 52 9.083 9.974 -5.849 1.00 0.57 C ATOM 894 O GLU A 52 8.263 9.064 -5.742 1.00 0.56 O ATOM 895 CB GLU A 52 9.488 10.790 -8.157 1.00 0.72 C ATOM 896 CG GLU A 52 9.442 11.934 -9.149 1.00 0.95 C ATOM 897 CD GLU A 52 9.964 11.537 -10.510 1.00 1.28 C ATOM 898 OE1 GLU A 52 9.325 10.691 -11.166 1.00 1.53 O ATOM 899 OE2 GLU A 52 11.017 12.061 -10.925 1.00 1.66 O ATOM 0 H GLU A 52 10.171 12.751 -6.851 1.00 0.66 H new ATOM 0 HA GLU A 52 7.783 11.278 -6.943 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.526 10.499 -7.998 1.00 0.72 H new ATOM 0 HB3 GLU A 52 8.977 9.927 -8.585 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.415 12.287 -9.245 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.031 12.767 -8.766 1.00 0.95 H new ATOM 906 N ALA A 53 10.211 10.029 -5.151 1.00 0.53 N ATOM 907 CA ALA A 53 10.577 9.001 -4.186 1.00 0.46 C ATOM 908 C ALA A 53 9.504 8.824 -3.116 1.00 0.42 C ATOM 909 O ALA A 53 9.297 7.722 -2.624 1.00 0.37 O ATOM 910 CB ALA A 53 11.921 9.319 -3.551 1.00 0.47 C ATOM 0 H ALA A 53 10.893 10.782 -5.237 1.00 0.53 H new ATOM 0 HA ALA A 53 10.660 8.057 -4.725 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.178 8.540 -2.833 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.687 9.366 -4.325 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.863 10.280 -3.039 1.00 0.47 H new ATOM 916 N ALA A 54 8.806 9.906 -2.774 1.00 0.45 N ATOM 917 CA ALA A 54 7.708 9.831 -1.812 1.00 0.44 C ATOM 918 C ALA A 54 6.607 8.936 -2.346 1.00 0.43 C ATOM 919 O ALA A 54 6.076 8.080 -1.639 1.00 0.41 O ATOM 920 CB ALA A 54 7.135 11.206 -1.533 1.00 0.51 C ATOM 0 H ALA A 54 8.980 10.840 -3.146 1.00 0.45 H new ATOM 0 HA ALA A 54 8.104 9.418 -0.885 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.320 11.122 -0.814 1.00 0.51 H new ATOM 0 HB2 ALA A 54 7.914 11.849 -1.124 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.758 11.638 -2.460 1.00 0.51 H new ATOM 926 N ASP A 55 6.282 9.147 -3.608 1.00 0.46 N ATOM 927 CA ASP A 55 5.247 8.388 -4.288 1.00 0.47 C ATOM 928 C ASP A 55 5.635 6.920 -4.368 1.00 0.39 C ATOM 929 O ASP A 55 4.812 6.035 -4.124 1.00 0.36 O ATOM 930 CB ASP A 55 5.037 8.965 -5.685 1.00 0.57 C ATOM 931 CG ASP A 55 3.874 8.332 -6.409 1.00 0.63 C ATOM 932 OD1 ASP A 55 4.068 7.287 -7.057 1.00 0.66 O ATOM 933 OD2 ASP A 55 2.754 8.876 -6.327 1.00 0.72 O ATOM 0 H ASP A 55 6.730 9.852 -4.193 1.00 0.46 H new ATOM 0 HA ASP A 55 4.315 8.461 -3.727 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.870 10.039 -5.608 1.00 0.57 H new ATOM 0 HB3 ASP A 55 5.945 8.824 -6.272 1.00 0.57 H new ATOM 938 N LYS A 56 6.897 6.670 -4.690 1.00 0.39 N ATOM 939 CA LYS A 56 7.428 5.316 -4.726 1.00 0.34 C ATOM 940 C LYS A 56 7.400 4.705 -3.332 1.00 0.28 C ATOM 941 O LYS A 56 7.012 3.554 -3.152 1.00 0.26 O ATOM 942 CB LYS A 56 8.864 5.322 -5.235 1.00 0.38 C ATOM 943 CG LYS A 56 9.113 6.199 -6.453 1.00 0.48 C ATOM 944 CD LYS A 56 8.604 5.577 -7.744 1.00 0.64 C ATOM 945 CE LYS A 56 7.102 5.750 -7.931 1.00 0.83 C ATOM 946 NZ LYS A 56 6.624 5.129 -9.197 1.00 0.98 N ATOM 0 H LYS A 56 7.575 7.393 -4.931 1.00 0.39 H new ATOM 0 HA LYS A 56 6.807 4.724 -5.399 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.518 5.653 -4.428 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.151 4.299 -5.478 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.628 7.164 -6.305 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.182 6.390 -6.544 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.125 6.027 -8.589 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.846 4.514 -7.750 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.577 5.303 -7.087 1.00 0.83 H new ATOM 0 HE3 LYS A 56 6.856 6.812 -7.932 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 5.597 5.269 -9.286 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.105 5.573 -10.005 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 6.835 4.111 -9.185 1.00 0.98 H new ATOM 960 N PHE A 57 7.800 5.500 -2.347 1.00 0.27 N ATOM 961 CA PHE A 57 7.819 5.065 -0.955 1.00 0.24 C ATOM 962 C PHE A 57 6.411 4.732 -0.490 1.00 0.24 C ATOM 963 O PHE A 57 6.214 3.942 0.422 1.00 0.26 O ATOM 964 CB PHE A 57 8.429 6.156 -0.063 1.00 0.27 C ATOM 965 CG PHE A 57 8.360 5.849 1.409 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.173 4.879 1.968 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.477 6.532 2.231 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.105 4.593 3.318 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.406 6.250 3.581 1.00 0.34 C ATOM 970 CZ PHE A 57 8.221 5.279 4.125 1.00 0.37 C ATOM 0 H PHE A 57 8.119 6.459 -2.489 1.00 0.27 H new ATOM 0 HA PHE A 57 8.435 4.169 -0.878 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.472 6.302 -0.345 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.913 7.097 -0.253 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.868 4.339 1.342 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.837 7.294 1.811 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.744 3.832 3.742 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.713 6.789 4.210 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.167 5.056 5.180 1.00 0.37 H new ATOM 980 N LYS A 58 5.441 5.321 -1.154 1.00 0.26 N ATOM 981 CA LYS A 58 4.050 5.166 -0.793 1.00 0.28 C ATOM 982 C LYS A 58 3.463 3.864 -1.345 1.00 0.26 C ATOM 983 O LYS A 58 2.725 3.171 -0.646 1.00 0.29 O ATOM 984 CB LYS A 58 3.295 6.399 -1.290 1.00 0.32 C ATOM 985 CG LYS A 58 1.868 6.142 -1.733 1.00 0.36 C ATOM 986 CD LYS A 58 1.126 7.442 -1.987 1.00 0.52 C ATOM 987 CE LYS A 58 1.734 8.215 -3.146 1.00 0.79 C ATOM 988 NZ LYS A 58 1.560 7.494 -4.437 1.00 1.41 N ATOM 0 H LYS A 58 5.596 5.923 -1.963 1.00 0.26 H new ATOM 0 HA LYS A 58 3.951 5.093 0.290 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.284 7.144 -0.495 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.846 6.832 -2.125 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.870 5.539 -2.641 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.346 5.566 -0.969 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.079 7.228 -2.201 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.149 8.057 -1.087 1.00 0.52 H new ATOM 0 HE2 LYS A 58 1.269 9.198 -3.212 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.796 8.377 -2.959 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 1.683 8.160 -5.226 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 2.269 6.736 -4.510 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 0.606 7.081 -4.478 1.00 1.41 H new ATOM 1002 N GLU A 59 3.803 3.519 -2.583 1.00 0.25 N ATOM 1003 CA GLU A 59 3.326 2.269 -3.173 1.00 0.24 C ATOM 1004 C GLU A 59 4.001 1.074 -2.519 1.00 0.23 C ATOM 1005 O GLU A 59 3.371 0.039 -2.291 1.00 0.25 O ATOM 1006 CB GLU A 59 3.551 2.247 -4.687 1.00 0.28 C ATOM 1007 CG GLU A 59 4.950 2.649 -5.114 1.00 0.32 C ATOM 1008 CD GLU A 59 5.134 2.581 -6.612 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.477 3.365 -7.328 1.00 0.54 O ATOM 1010 OE2 GLU A 59 5.931 1.743 -7.083 1.00 0.51 O ATOM 0 H GLU A 59 4.400 4.078 -3.192 1.00 0.25 H new ATOM 0 HA GLU A 59 2.253 2.205 -2.991 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.344 1.244 -5.059 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.833 2.917 -5.160 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.155 3.663 -4.771 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.677 1.996 -4.631 1.00 0.32 H new ATOM 1017 N ILE A 60 5.280 1.216 -2.207 1.00 0.23 N ATOM 1018 CA ILE A 60 6.006 0.160 -1.522 1.00 0.24 C ATOM 1019 C ILE A 60 5.506 0.045 -0.093 1.00 0.24 C ATOM 1020 O ILE A 60 5.412 -1.049 0.460 1.00 0.27 O ATOM 1021 CB ILE A 60 7.533 0.394 -1.548 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.911 1.659 -0.782 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.017 0.484 -2.984 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.368 2.043 -0.915 1.00 0.28 C ATOM 0 H ILE A 60 5.833 2.047 -2.416 1.00 0.23 H new ATOM 0 HA ILE A 60 5.820 -0.775 -2.050 1.00 0.24 H new ATOM 0 HB ILE A 60 8.017 -0.451 -1.058 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.294 2.485 -1.136 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.678 1.517 0.273 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.094 0.649 -2.995 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.787 -0.446 -3.504 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.518 1.313 -3.485 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.559 2.951 -0.343 1.00 0.28 H new ATOM 0 HD12 ILE A 60 9.993 1.236 -0.533 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.604 2.219 -1.965 1.00 0.28 H new ATOM 1036 N ASN A 61 5.138 1.193 0.471 1.00 0.24 N ATOM 1037 CA ASN A 61 4.563 1.263 1.806 1.00 0.28 C ATOM 1038 C ASN A 61 3.240 0.507 1.843 1.00 0.29 C ATOM 1039 O ASN A 61 2.797 0.042 2.893 1.00 0.36 O ATOM 1040 CB ASN A 61 4.350 2.728 2.191 1.00 0.36 C ATOM 1041 CG ASN A 61 3.800 2.915 3.588 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.553 2.947 4.563 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.489 3.064 3.693 1.00 0.60 N ATOM 0 H ASN A 61 5.231 2.099 0.013 1.00 0.24 H new ATOM 0 HA ASN A 61 5.245 0.802 2.521 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.299 3.258 2.110 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.667 3.187 1.476 1.00 0.36 H new ATOM 0 HD21 ASN A 61 2.064 3.212 4.608 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.903 3.030 2.858 1.00 0.60 H new ATOM 1050 N ASN A 62 2.629 0.394 0.671 1.00 0.25 N ATOM 1051 CA ASN A 62 1.364 -0.302 0.509 1.00 0.27 C ATOM 1052 C ASN A 62 1.578 -1.807 0.444 1.00 0.22 C ATOM 1053 O ASN A 62 1.094 -2.545 1.292 1.00 0.20 O ATOM 1054 CB ASN A 62 0.694 0.146 -0.784 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.743 -0.293 -0.878 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.644 0.449 -0.515 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.962 -1.502 -1.373 1.00 0.21 N ATOM 0 H ASN A 62 3.000 0.784 -0.195 1.00 0.25 H new ATOM 0 HA ASN A 62 0.735 -0.064 1.367 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.743 1.233 -0.856 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.248 -0.255 -1.633 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.916 -1.850 -1.465 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.176 -2.085 -1.662 1.00 0.21 H new ATOM 1064 N ALA A 63 2.333 -2.249 -0.569 1.00 0.20 N ATOM 1065 CA ALA A 63 2.506 -3.675 -0.864 1.00 0.18 C ATOM 1066 C ALA A 63 3.106 -4.445 0.316 1.00 0.14 C ATOM 1067 O ALA A 63 3.053 -5.673 0.356 1.00 0.14 O ATOM 1068 CB ALA A 63 3.386 -3.838 -2.092 1.00 0.19 C ATOM 0 H ALA A 63 2.839 -1.631 -1.204 1.00 0.20 H new ATOM 0 HA ALA A 63 1.518 -4.095 -1.053 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.514 -4.898 -2.310 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.916 -3.346 -2.944 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.360 -3.386 -1.904 1.00 0.19 H new ATOM 1074 N HIS A 64 3.664 -3.696 1.260 1.00 0.13 N ATOM 1075 CA HIS A 64 4.325 -4.230 2.451 1.00 0.11 C ATOM 1076 C HIS A 64 3.578 -5.416 3.083 1.00 0.13 C ATOM 1077 O HIS A 64 4.151 -6.494 3.231 1.00 0.20 O ATOM 1078 CB HIS A 64 4.504 -3.073 3.453 1.00 0.15 C ATOM 1079 CG HIS A 64 4.645 -3.467 4.894 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.622 -3.327 5.797 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.696 -3.953 5.594 1.00 1.02 C ATOM 1082 CE1 HIS A 64 4.031 -3.706 6.988 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.287 -4.093 6.897 1.00 0.96 N ATOM 0 H HIS A 64 3.671 -2.677 1.220 1.00 0.13 H new ATOM 0 HA HIS A 64 5.294 -4.636 2.159 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.387 -2.502 3.165 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.648 -2.404 3.362 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.687 -2.982 5.578 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.674 -4.187 5.201 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.437 -3.701 7.890 1.00 1.00 H new ATOM 1092 N ALA A 65 2.327 -5.226 3.472 1.00 0.14 N ATOM 1093 CA ALA A 65 1.585 -6.283 4.153 1.00 0.17 C ATOM 1094 C ALA A 65 0.815 -7.173 3.186 1.00 0.13 C ATOM 1095 O ALA A 65 0.737 -8.385 3.383 1.00 0.14 O ATOM 1096 CB ALA A 65 0.626 -5.689 5.169 1.00 0.25 C ATOM 0 H ALA A 65 1.806 -4.361 3.331 1.00 0.14 H new ATOM 0 HA ALA A 65 2.323 -6.906 4.660 1.00 0.17 H new ATOM 0 HB1 ALA A 65 0.081 -6.491 5.667 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.187 -5.118 5.908 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.080 -5.031 4.662 1.00 0.25 H new ATOM 1102 N ILE A 66 0.279 -6.569 2.134 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.726 -7.211 1.278 1.00 0.12 C ATOM 1104 C ILE A 66 -0.303 -8.602 0.806 1.00 0.13 C ATOM 1105 O ILE A 66 -1.101 -9.536 0.802 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.028 -6.379 0.017 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.618 -4.910 0.177 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.504 -6.481 -0.315 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.387 -4.146 1.227 1.00 0.14 C ATOM 0 H ILE A 66 0.524 -5.622 1.845 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.612 -7.289 1.908 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.435 -6.787 -0.802 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.443 -4.869 0.423 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.743 -4.407 -0.782 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.718 -5.892 -1.207 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.765 -7.524 -0.497 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.092 -6.100 0.520 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.026 -3.118 1.266 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.448 -4.149 0.975 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.243 -4.618 2.199 1.00 0.14 H new ATOM 1121 N LEU A 67 0.958 -8.719 0.422 1.00 0.12 N ATOM 1122 CA LEU A 67 1.485 -9.913 -0.245 1.00 0.14 C ATOM 1123 C LEU A 67 1.329 -11.171 0.594 1.00 0.16 C ATOM 1124 O LEU A 67 1.237 -12.277 0.064 1.00 0.21 O ATOM 1125 CB LEU A 67 2.962 -9.711 -0.542 1.00 0.15 C ATOM 1126 CG LEU A 67 3.325 -8.324 -1.049 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.809 -8.240 -1.338 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.500 -7.991 -2.278 1.00 0.16 C ATOM 0 H LEU A 67 1.654 -7.987 0.562 1.00 0.12 H new ATOM 0 HA LEU A 67 0.910 -10.048 -1.161 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.532 -9.912 0.365 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.273 -10.447 -1.283 1.00 0.15 H new ATOM 0 HG LEU A 67 3.097 -7.588 -0.278 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.053 -7.241 -1.700 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.369 -8.442 -0.425 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.074 -8.976 -2.097 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.765 -6.996 -2.636 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.700 -8.723 -3.060 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.441 -8.014 -2.022 1.00 0.16 H new ATOM 1140 N THR A 68 1.338 -10.999 1.895 1.00 0.15 N ATOM 1141 CA THR A 68 1.263 -12.119 2.811 1.00 0.18 C ATOM 1142 C THR A 68 0.032 -12.016 3.707 1.00 0.18 C ATOM 1143 O THR A 68 -0.393 -12.997 4.321 1.00 0.23 O ATOM 1144 CB THR A 68 2.546 -12.186 3.663 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.435 -13.185 4.684 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.833 -10.831 4.286 1.00 0.20 C ATOM 0 H THR A 68 1.397 -10.087 2.348 1.00 0.15 H new ATOM 0 HA THR A 68 1.174 -13.035 2.227 1.00 0.18 H new ATOM 0 HB THR A 68 3.373 -12.460 3.008 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.262 -13.209 5.210 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.741 -10.891 4.885 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.966 -10.089 3.498 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.997 -10.539 4.922 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.552 -10.829 3.771 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.697 -10.605 4.635 1.00 0.19 C ATOM 1156 C ASP A 69 -2.996 -10.812 3.874 1.00 0.17 C ATOM 1157 O ASP A 69 -3.293 -10.090 2.920 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.665 -9.201 5.226 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.592 -9.071 6.410 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.808 -8.875 6.204 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.107 -9.162 7.555 1.00 0.58 O ATOM 0 H ASP A 69 -0.253 -10.012 3.238 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.645 -11.329 5.448 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.647 -8.959 5.532 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.948 -8.478 4.461 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.761 -11.804 4.306 1.00 0.19 N ATOM 1167 CA ALA A 70 -5.028 -12.144 3.672 1.00 0.21 C ATOM 1168 C ALA A 70 -6.017 -10.998 3.757 1.00 0.18 C ATOM 1169 O ALA A 70 -6.790 -10.772 2.832 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.615 -13.392 4.310 1.00 0.27 C ATOM 0 H ALA A 70 -3.523 -12.394 5.103 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.832 -12.338 2.617 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.562 -13.636 3.828 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.921 -14.224 4.189 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.784 -13.213 5.372 1.00 0.27 H new ATOM 1176 N THR A 71 -5.982 -10.264 4.854 1.00 0.17 N ATOM 1177 CA THR A 71 -6.898 -9.160 5.041 1.00 0.17 C ATOM 1178 C THR A 71 -6.590 -8.029 4.068 1.00 0.14 C ATOM 1179 O THR A 71 -7.472 -7.563 3.356 1.00 0.15 O ATOM 1180 CB THR A 71 -6.852 -8.634 6.479 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.151 -9.701 7.393 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.842 -7.495 6.662 1.00 0.21 C ATOM 0 H THR A 71 -5.331 -10.413 5.625 1.00 0.17 H new ATOM 0 HA THR A 71 -7.902 -9.534 4.843 1.00 0.17 H new ATOM 0 HB THR A 71 -5.851 -8.255 6.684 1.00 0.20 H new ATOM 0 HG1 THR A 71 -7.119 -9.363 8.312 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.795 -7.134 7.689 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.592 -6.682 5.980 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.850 -7.851 6.448 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.340 -7.595 4.022 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.943 -6.561 3.094 1.00 0.13 C ATOM 1192 C LYS A 72 -5.129 -7.028 1.656 1.00 0.12 C ATOM 1193 O LYS A 72 -5.512 -6.247 0.801 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.497 -6.122 3.335 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.329 -5.159 4.505 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.523 -5.838 5.851 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.481 -4.839 6.995 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.441 -5.506 8.321 1.00 0.71 N ATOM 0 H LYS A 72 -4.589 -7.945 4.617 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.587 -5.698 3.263 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.885 -7.006 3.514 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.116 -5.648 2.430 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.334 -4.715 4.466 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -4.046 -4.344 4.406 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.479 -6.362 5.860 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.746 -6.589 5.995 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.605 -4.200 6.885 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.356 -4.192 6.942 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -3.413 -4.786 9.071 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.289 -6.096 8.439 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.592 -6.104 8.383 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.884 -8.307 1.389 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.107 -8.842 0.047 1.00 0.15 C ATOM 1214 C ARG A 73 -6.599 -8.836 -0.254 1.00 0.16 C ATOM 1215 O ARG A 73 -7.021 -8.739 -1.407 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.574 -10.265 -0.075 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.133 -10.632 -1.488 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.740 -10.095 -1.800 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.309 -10.417 -3.161 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.354 -11.302 -3.452 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.825 -12.057 -2.492 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -0.953 -11.454 -4.711 1.00 0.97 N ATOM 0 H ARG A 73 -4.537 -8.983 2.069 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.574 -8.214 -0.667 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.730 -10.387 0.604 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.347 -10.963 0.248 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.139 -11.716 -1.601 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -4.847 -10.232 -2.208 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.732 -9.013 -1.666 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.026 -10.510 -1.088 1.00 0.47 H new ATOM 0 HE ARG A 73 -2.767 -9.935 -3.935 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.150 -11.960 -1.530 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.095 -12.733 -2.718 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.375 -10.894 -5.452 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.223 -12.130 -4.936 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.383 -8.937 0.800 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.827 -8.899 0.698 1.00 0.18 C ATOM 1238 C ASN A 74 -9.305 -7.491 0.377 1.00 0.17 C ATOM 1239 O ASN A 74 -10.216 -7.308 -0.430 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.447 -9.424 1.995 1.00 0.21 C ATOM 1241 CG ASN A 74 -9.894 -10.870 1.885 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.255 -11.342 0.807 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -9.877 -11.580 3.003 1.00 0.43 N ATOM 0 H ASN A 74 -7.036 -9.048 1.753 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.149 -9.543 -0.120 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.721 -9.332 2.803 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.302 -8.803 2.262 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.170 -12.557 2.991 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.570 -11.150 3.876 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.676 -6.497 0.987 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.958 -5.110 0.648 1.00 0.13 C ATOM 1252 C ILE A 75 -8.370 -4.787 -0.720 1.00 0.14 C ATOM 1253 O ILE A 75 -8.971 -4.060 -1.490 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.426 -4.111 1.718 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.361 -4.071 2.934 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.268 -2.699 1.142 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.441 -5.366 3.709 1.00 0.20 C ATOM 0 H ILE A 75 -7.972 -6.623 1.714 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.041 -4.993 0.622 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.444 -4.465 2.031 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -9.028 -3.281 3.606 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.362 -3.802 2.597 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.895 -2.030 1.917 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.562 -2.722 0.312 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.234 -2.341 0.787 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -10.124 -5.245 4.550 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.806 -6.159 3.056 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.451 -5.629 4.081 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.215 -5.373 -1.019 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.546 -5.204 -2.312 1.00 0.18 C ATOM 1271 C TYR A 76 -7.494 -5.467 -3.483 1.00 0.19 C ATOM 1272 O TYR A 76 -7.419 -4.805 -4.521 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.328 -6.142 -2.374 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.048 -6.749 -3.735 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.381 -6.033 -4.719 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.452 -8.047 -4.031 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.127 -6.593 -5.955 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.198 -8.610 -5.263 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.535 -7.879 -6.222 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.271 -8.439 -7.451 1.00 0.52 O ATOM 0 H TYR A 76 -6.712 -5.981 -0.372 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.217 -4.168 -2.400 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.446 -5.588 -2.053 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.475 -6.950 -1.657 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.056 -5.023 -4.515 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -5.974 -8.624 -3.282 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.609 -6.022 -6.711 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.518 -9.620 -5.475 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.625 -9.353 -7.477 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.386 -6.431 -3.313 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.339 -6.781 -4.361 1.00 0.22 C ATOM 1292 C ASP A 77 -10.403 -5.693 -4.531 1.00 0.22 C ATOM 1293 O ASP A 77 -11.065 -5.613 -5.564 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.002 -8.123 -4.040 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.952 -8.581 -5.128 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.479 -8.932 -6.230 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.179 -8.573 -4.893 1.00 1.74 O ATOM 0 H ASP A 77 -8.472 -6.986 -2.461 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.793 -6.866 -5.301 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.231 -8.879 -3.895 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.547 -8.039 -3.100 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.536 -4.840 -3.526 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.553 -3.801 -3.524 1.00 0.21 C ATOM 1304 C LYS A 78 -10.900 -2.435 -3.686 1.00 0.20 C ATOM 1305 O LYS A 78 -11.144 -1.714 -4.653 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.313 -3.836 -2.199 1.00 0.22 C ATOM 1307 CG LYS A 78 -12.938 -5.179 -1.866 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.438 -5.201 -0.430 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.487 -4.127 -0.184 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.763 -3.936 1.265 1.00 1.92 N ATOM 0 H LYS A 78 -9.946 -4.849 -2.694 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.241 -3.975 -4.352 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.630 -3.558 -1.396 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.098 -3.081 -2.225 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.765 -5.379 -2.547 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.205 -5.973 -2.013 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -13.861 -6.181 -0.207 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.599 -5.053 0.250 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.149 -3.185 -0.615 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.410 -4.399 -0.696 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.483 -3.196 1.387 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -15.111 -4.827 1.673 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -13.888 -3.651 1.750 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.058 -2.108 -2.723 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.326 -0.862 -2.700 1.00 0.19 C ATOM 1326 C TYR A 79 -7.850 -1.144 -2.926 1.00 0.21 C ATOM 1327 O TYR A 79 -7.234 -1.878 -2.156 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.525 -0.162 -1.354 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.976 0.008 -0.959 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.649 -0.999 -0.281 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.674 1.169 -1.266 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -12.973 -0.857 0.078 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -13.002 1.320 -0.908 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.645 0.302 -0.237 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.968 0.439 0.122 1.00 0.88 O ATOM 0 H TYR A 79 -9.863 -2.712 -1.924 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.696 -0.209 -3.491 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.012 -0.733 -0.580 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.052 0.819 -1.393 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.126 -1.910 -0.030 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -11.172 1.967 -1.793 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.480 -1.652 0.604 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.531 2.229 -1.153 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.140 -0.074 0.939 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.294 -0.593 -3.995 1.00 0.20 N ATOM 1346 CA GLY A 80 -5.877 -0.737 -4.252 1.00 0.25 C ATOM 1347 C GLY A 80 -5.033 0.031 -3.262 1.00 0.20 C ATOM 1348 O GLY A 80 -5.202 -0.088 -2.050 1.00 0.22 O ATOM 0 H GLY A 80 -7.802 -0.047 -4.691 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.608 -1.793 -4.213 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.656 -0.389 -5.261 1.00 0.25 H new ATOM 1352 N SER A 81 -4.145 0.847 -3.787 1.00 0.23 N ATOM 1353 CA SER A 81 -3.212 1.601 -2.975 1.00 0.25 C ATOM 1354 C SER A 81 -3.912 2.456 -1.910 1.00 0.23 C ATOM 1355 O SER A 81 -3.363 2.658 -0.848 1.00 0.25 O ATOM 1356 CB SER A 81 -2.351 2.466 -3.897 1.00 0.34 C ATOM 1357 OG SER A 81 -1.756 1.665 -4.906 1.00 0.41 O ATOM 0 H SER A 81 -4.049 1.007 -4.790 1.00 0.23 H new ATOM 0 HA SER A 81 -2.585 0.898 -2.427 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.963 3.244 -4.354 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.577 2.969 -3.318 1.00 0.34 H new ATOM 0 HG SER A 81 -1.734 2.164 -5.749 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.117 2.963 -2.180 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.805 3.803 -1.190 1.00 0.25 C ATOM 1365 C LEU A 82 -6.223 3.020 0.035 1.00 0.22 C ATOM 1366 O LEU A 82 -5.711 3.268 1.125 1.00 0.23 O ATOM 1367 CB LEU A 82 -7.032 4.507 -1.764 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.795 5.348 -0.733 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.880 6.384 -0.121 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -9.000 6.033 -1.347 1.00 0.69 C ATOM 0 H LEU A 82 -5.628 2.814 -3.050 1.00 0.23 H new ATOM 0 HA LEU A 82 -5.071 4.556 -0.902 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.720 5.151 -2.586 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.707 3.760 -2.182 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.150 4.669 0.042 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.435 6.974 0.609 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -6.046 5.886 0.373 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.499 7.040 -0.903 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.513 6.619 -0.584 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.673 6.692 -2.152 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.681 5.282 -1.747 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.167 2.099 -0.139 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.668 1.340 0.976 1.00 0.23 C ATOM 1384 C GLY A 83 -6.550 0.696 1.748 1.00 0.21 C ATOM 1385 O GLY A 83 -6.567 0.681 2.964 1.00 0.23 O ATOM 0 H GLY A 83 -7.590 1.870 -1.038 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.239 1.994 1.636 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.354 0.572 0.617 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.548 0.223 1.037 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.413 -0.424 1.659 1.00 0.20 C ATOM 1391 C LEU A 84 -3.475 0.582 2.325 1.00 0.21 C ATOM 1392 O LEU A 84 -2.957 0.314 3.399 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.680 -1.250 0.620 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.492 -2.404 0.047 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.732 -3.094 -1.071 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.845 -3.384 1.151 1.00 0.30 C ATOM 0 H LEU A 84 -5.497 0.276 0.020 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.778 -1.078 2.451 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.374 -0.596 -0.197 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.769 -1.649 1.067 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.416 -2.009 -0.376 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.331 -3.915 -1.465 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.528 -2.379 -1.868 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.791 -3.485 -0.684 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.426 -4.207 0.735 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.930 -3.774 1.597 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.433 -2.875 1.915 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.269 1.740 1.707 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.434 2.789 2.299 1.00 0.23 C ATOM 1410 C TYR A 85 -2.896 3.096 3.712 1.00 0.24 C ATOM 1411 O TYR A 85 -2.087 3.318 4.614 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.472 4.059 1.416 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.780 5.357 2.138 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -4.089 5.792 2.308 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.755 6.138 2.666 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.368 6.966 2.982 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -2.027 7.313 3.337 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.352 7.753 3.431 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.608 8.893 4.165 1.00 0.52 O ATOM 0 H TYR A 85 -3.666 1.979 0.798 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.404 2.437 2.349 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.507 4.162 0.919 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.219 3.914 0.635 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.901 5.203 1.907 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.730 5.819 2.548 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.393 7.259 3.153 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -1.228 7.885 3.784 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.762 9.327 4.400 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.198 3.108 3.896 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.766 3.359 5.198 1.00 0.25 C ATOM 1431 C VAL A 86 -4.994 2.055 5.995 1.00 0.24 C ATOM 1432 O VAL A 86 -4.665 1.984 7.179 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.063 4.201 5.061 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.938 3.694 3.924 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.843 4.229 6.356 1.00 0.32 C ATOM 0 H VAL A 86 -4.883 2.946 3.157 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.047 3.939 5.777 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.759 5.221 4.826 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.837 4.306 3.856 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.387 3.754 2.986 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.218 2.658 4.114 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.745 4.827 6.225 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.119 3.213 6.636 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.228 4.668 7.142 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.517 1.016 5.347 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.832 -0.237 6.035 1.00 0.24 C ATOM 1447 C ALA A 87 -4.599 -1.054 6.388 1.00 0.22 C ATOM 1448 O ALA A 87 -4.534 -1.640 7.462 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.759 -1.096 5.203 1.00 0.25 C ATOM 0 H ALA A 87 -5.731 1.015 4.350 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.320 0.057 6.964 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.976 -2.020 5.738 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.688 -0.556 5.019 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.281 -1.331 4.252 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.624 -1.117 5.496 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.458 -1.949 5.731 1.00 0.21 C ATOM 1457 C GLU A 88 -1.654 -1.360 6.880 1.00 0.20 C ATOM 1458 O GLU A 88 -1.089 -2.082 7.701 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.626 -2.092 4.432 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.360 -1.245 4.354 1.00 0.25 C ATOM 1461 CD GLU A 88 0.841 -1.928 4.991 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.476 -2.787 4.345 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.168 -1.596 6.143 1.00 1.24 O ATOM 0 H GLU A 88 -3.617 -0.608 4.612 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.762 -2.956 6.015 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.347 -3.139 4.316 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.263 -1.836 3.586 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.137 -1.026 3.310 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.535 -0.290 4.849 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.686 -0.041 6.969 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.874 0.690 7.921 1.00 0.24 C ATOM 1472 C GLN A 89 -1.543 0.821 9.287 1.00 0.29 C ATOM 1473 O GLN A 89 -0.862 1.011 10.294 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.560 2.068 7.352 1.00 0.25 C ATOM 1475 CG GLN A 89 0.441 2.026 6.214 1.00 0.27 C ATOM 1476 CD GLN A 89 1.816 1.574 6.674 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.199 1.794 7.824 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.568 0.930 5.793 1.00 0.38 N ATOM 0 H GLN A 89 -2.275 0.551 6.383 1.00 0.22 H new ATOM 0 HA GLN A 89 0.046 0.126 8.078 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.483 2.528 7.000 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.171 2.703 8.148 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.079 1.350 5.439 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.518 3.016 5.764 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.219 0.765 4.849 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.495 0.599 6.059 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.867 0.720 9.330 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.590 0.910 10.587 1.00 0.34 C ATOM 1489 C PHE A 90 -4.638 -0.173 10.810 1.00 0.37 C ATOM 1490 O PHE A 90 -4.785 -0.691 11.918 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.277 2.276 10.598 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.323 3.436 10.536 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.747 3.941 11.687 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -3.002 4.017 9.320 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.866 5.004 11.629 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -2.122 5.079 9.255 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.553 5.573 10.411 1.00 0.62 C ATOM 0 H PHE A 90 -3.456 0.511 8.524 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.857 0.850 11.392 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.961 2.335 9.752 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.880 2.362 11.502 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.988 3.500 12.643 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.445 3.635 8.412 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.423 5.389 12.536 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.879 5.522 8.301 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.864 6.403 10.363 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.354 -0.517 9.756 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.419 -1.490 9.863 1.00 0.41 C ATOM 1509 C GLY A 91 -7.712 -0.965 9.288 1.00 0.43 C ATOM 1510 O GLY A 91 -8.329 -0.065 9.862 1.00 0.51 O ATOM 0 H GLY A 91 -5.216 -0.137 8.819 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.132 -2.403 9.341 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.567 -1.755 10.910 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.118 -1.546 8.165 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.288 -1.101 7.401 1.00 0.47 C ATOM 1516 C GLU A 92 -10.499 -0.873 8.299 1.00 0.54 C ATOM 1517 O GLU A 92 -11.237 0.100 8.140 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.611 -2.158 6.338 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.708 -1.770 5.362 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.301 -0.685 4.389 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -9.491 0.187 4.762 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -10.822 -0.696 3.250 1.00 2.23 O ATOM 0 H GLU A 92 -7.642 -2.348 7.751 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.054 -0.147 6.929 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.703 -2.374 5.774 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.902 -3.080 6.841 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.012 -2.654 4.801 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -11.580 -1.434 5.924 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.672 -1.759 9.258 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.816 -1.724 10.152 1.00 0.66 C ATOM 1531 C GLU A 93 -11.873 -0.444 10.990 1.00 0.68 C ATOM 1532 O GLU A 93 -12.958 0.060 11.279 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.786 -2.954 11.059 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.470 -3.114 11.806 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.301 -4.495 12.397 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -10.187 -5.466 11.621 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.301 -4.618 13.643 1.00 1.33 O ATOM 0 H GLU A 93 -10.024 -2.525 9.442 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.717 -1.733 9.538 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.600 -2.886 11.780 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.966 -3.845 10.458 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.643 -2.910 11.126 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.417 -2.373 12.603 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.719 0.099 11.359 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.696 1.203 12.314 1.00 0.64 C ATOM 1546 C ASN A 94 -10.529 2.559 11.631 1.00 0.65 C ATOM 1547 O ASN A 94 -11.192 3.525 11.998 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.598 0.982 13.376 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.352 1.811 13.171 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -8.254 2.945 13.638 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.377 1.235 12.495 1.00 0.70 N ATOM 0 H ASN A 94 -9.804 -0.198 11.021 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.666 1.217 12.812 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.011 1.207 14.359 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -9.321 -0.072 13.380 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.499 1.732 12.342 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -7.500 0.293 12.125 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.656 2.634 10.645 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.328 3.916 10.031 1.00 0.58 C ATOM 1560 C VAL A 95 -10.201 4.235 8.825 1.00 0.62 C ATOM 1561 O VAL A 95 -10.574 5.387 8.622 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.851 3.985 9.628 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -6.994 4.395 10.815 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.404 2.643 9.084 1.00 0.49 C ATOM 0 H VAL A 95 -9.162 1.833 10.251 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.527 4.668 10.795 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.731 4.737 8.848 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -5.948 4.439 10.511 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.310 5.376 11.170 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.108 3.665 11.616 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.353 2.698 8.799 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.533 1.879 9.850 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -8.004 2.386 8.211 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.548 3.229 8.030 1.00 0.57 N ATOM 1575 CA ASN A 96 -11.322 3.475 6.816 1.00 0.68 C ATOM 1576 C ASN A 96 -12.731 3.909 7.180 1.00 0.85 C ATOM 1577 O ASN A 96 -13.397 4.603 6.418 1.00 1.03 O ATOM 1578 CB ASN A 96 -11.395 2.233 5.937 1.00 0.69 C ATOM 1579 CG ASN A 96 -11.589 2.571 4.466 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -12.703 2.834 4.015 1.00 1.85 O ATOM 1581 ND2 ASN A 96 -10.510 2.513 3.698 1.00 0.66 N ATOM 0 H ASN A 96 -10.311 2.251 8.198 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.818 4.264 6.258 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -10.479 1.653 6.056 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -12.218 1.602 6.273 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -10.587 2.690 2.696 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -9.603 2.292 4.109 1.00 0.66 H new ATOM 1588 N THR A 97 -13.169 3.515 8.371 1.00 0.85 N ATOM 1589 CA THR A 97 -14.491 3.877 8.851 1.00 1.05 C ATOM 1590 C THR A 97 -14.533 5.372 9.183 1.00 1.15 C ATOM 1591 O THR A 97 -15.601 5.963 9.332 1.00 1.33 O ATOM 1592 CB THR A 97 -14.887 3.035 10.089 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.308 3.074 10.293 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.192 3.535 11.345 1.00 1.08 C ATOM 0 H THR A 97 -12.625 2.945 9.019 1.00 0.85 H new ATOM 0 HA THR A 97 -15.213 3.666 8.062 1.00 1.05 H new ATOM 0 HB THR A 97 -14.572 2.009 9.896 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.642 3.974 10.096 1.00 1.33 H new ATOM 0 HG21 THR A 97 -14.492 2.922 12.195 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.112 3.470 11.214 1.00 1.08 H new ATOM 0 HG23 THR A 97 -14.473 4.572 11.528 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.352 5.972 9.282 1.00 1.07 N ATOM 1603 CA TYR A 98 -13.226 7.403 9.517 1.00 1.22 C ATOM 1604 C TYR A 98 -13.384 8.156 8.198 1.00 1.24 C ATOM 1605 O TYR A 98 -13.636 9.361 8.173 1.00 1.41 O ATOM 1606 CB TYR A 98 -11.866 7.695 10.164 1.00 1.27 C ATOM 1607 CG TYR A 98 -11.531 9.162 10.308 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -12.197 9.965 11.224 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -10.534 9.738 9.532 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -11.879 11.303 11.361 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -10.211 11.074 9.661 1.00 2.45 C ATOM 1612 CZ TYR A 98 -10.885 11.851 10.576 1.00 2.47 C ATOM 1613 OH TYR A 98 -10.559 13.182 10.714 1.00 2.92 O ATOM 0 H TYR A 98 -12.461 5.482 9.202 1.00 1.07 H new ATOM 0 HA TYR A 98 -14.009 7.740 10.196 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -11.843 7.234 11.151 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -11.087 7.216 9.570 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -12.975 9.538 11.839 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -10.002 9.130 8.815 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -12.405 11.916 12.078 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -9.434 11.507 9.048 1.00 2.45 H new ATOM 0 HH TYR A 98 -9.839 13.409 10.089 1.00 2.92 H new ATOM 1623 N PHE A 99 -13.258 7.424 7.103 1.00 1.23 N ATOM 1624 CA PHE A 99 -13.407 7.990 5.775 1.00 1.37 C ATOM 1625 C PHE A 99 -14.818 7.758 5.255 1.00 1.73 C ATOM 1626 O PHE A 99 -15.707 7.343 6.005 1.00 2.11 O ATOM 1627 CB PHE A 99 -12.380 7.377 4.820 1.00 1.72 C ATOM 1628 CG PHE A 99 -10.961 7.715 5.173 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -10.449 8.975 4.906 1.00 3.47 C ATOM 1630 CD2 PHE A 99 -10.139 6.776 5.770 1.00 3.29 C ATOM 1631 CE1 PHE A 99 -9.144 9.289 5.231 1.00 4.65 C ATOM 1632 CE2 PHE A 99 -8.833 7.085 6.097 1.00 4.51 C ATOM 1633 CZ PHE A 99 -8.335 8.344 5.827 1.00 5.17 C ATOM 0 H PHE A 99 -13.050 6.425 7.111 1.00 1.23 H new ATOM 0 HA PHE A 99 -13.232 9.064 5.833 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -12.498 6.293 4.819 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -12.586 7.721 3.807 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -11.077 9.719 4.439 1.00 3.47 H new ATOM 0 HD2 PHE A 99 -10.523 5.789 5.983 1.00 3.29 H new ATOM 0 HE1 PHE A 99 -8.757 10.275 5.018 1.00 4.65 H new ATOM 0 HE2 PHE A 99 -8.202 6.343 6.563 1.00 4.51 H new ATOM 0 HZ PHE A 99 -7.314 8.588 6.082 1.00 5.17 H new ATOM 1643 N VAL A 100 -15.012 8.056 3.980 1.00 1.96 N ATOM 1644 CA VAL A 100 -16.290 7.862 3.315 1.00 2.64 C ATOM 1645 C VAL A 100 -16.778 6.418 3.454 1.00 3.27 C ATOM 1646 O VAL A 100 -16.107 5.505 2.945 1.00 3.70 O ATOM 1647 CB VAL A 100 -16.193 8.263 1.825 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -14.946 7.669 1.186 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -17.443 7.842 1.063 1.00 3.58 C ATOM 1650 OXT VAL A 100 -17.837 6.207 4.082 1.00 3.84 O ATOM 0 H VAL A 100 -14.285 8.440 3.376 1.00 1.96 H new ATOM 0 HA VAL A 100 -17.021 8.508 3.802 1.00 2.64 H new ATOM 0 HB VAL A 100 -16.118 9.349 1.774 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -14.898 7.964 0.138 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -14.061 8.035 1.707 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -14.984 6.582 1.255 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -17.348 8.136 0.018 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -17.561 6.760 1.126 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -18.316 8.328 1.499 1.00 3.58 H new TER 1660 VAL A 100