USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 KDH O03 : rot -120:sc= -0.0619 USER MOD Set 1.2: A 120 MET CE :methyl -108:sc= -10.4! (180deg=-14.3!) USER MOD Single : A 1 KDH O02 : rot 150:sc= -0.0363 USER MOD Single : A 1 KDH O1 : rot 3:sc= 0.0441 USER MOD Single : A 1 KDH O10 : rot 180:sc= 0 USER MOD Single : A 1 KDH O44 : rot 109:sc= -2.88! USER MOD Single : A 1 KDH O47 : rot 120:sc= -2.98! USER MOD Single : A 1 KDH O50 : rot 22:sc= -0.36 USER MOD Single : A 1 KDH O7 : rot 179:sc= 0.0983 USER MOD Single : A 90 MET CE :methyl 178:sc= -2.39! (180deg=-2.41!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -91:sc= 0.11 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.5) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot -89:sc= 0.968 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 137 MET CE :methyl -141:sc= -3.59! (180deg=-5.35!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.968 X(o=-0.97,f=-1.1) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 157 MET CE :methyl 153:sc= -0.647 (180deg=-2.06!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 12.794 7.470 4.693 1.00 2.87 N ATOM 2 CA MET A 90 12.200 8.739 4.180 1.00 2.20 C ATOM 3 C MET A 90 10.809 8.475 3.600 1.00 1.76 C ATOM 4 O MET A 90 9.809 8.598 4.279 1.00 2.23 O ATOM 5 CB MET A 90 13.158 9.209 3.085 1.00 2.68 C ATOM 6 CG MET A 90 14.250 10.084 3.703 1.00 3.11 C ATOM 7 SD MET A 90 13.960 11.813 3.255 1.00 4.08 S ATOM 8 CE MET A 90 12.423 12.035 4.184 1.00 4.71 C ATOM 0 HA MET A 90 12.079 9.486 4.964 1.00 2.20 H new ATOM 0 HB2 MET A 90 13.605 8.350 2.585 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.613 9.771 2.327 1.00 2.68 H new ATOM 0 HG2 MET A 90 14.250 9.973 4.787 1.00 3.11 H new ATOM 0 HG3 MET A 90 15.231 9.765 3.350 1.00 3.11 H new ATOM 0 HE1 MET A 90 12.078 13.063 4.076 1.00 4.71 H new ATOM 0 HE2 MET A 90 11.663 11.355 3.799 1.00 4.71 H new ATOM 0 HE3 MET A 90 12.601 11.821 5.238 1.00 4.71 H new ATOM 20 N GLY A 91 10.737 8.112 2.349 1.00 1.61 N ATOM 21 CA GLY A 91 9.412 7.839 1.726 1.00 1.31 C ATOM 22 C GLY A 91 9.279 6.342 1.443 1.00 1.37 C ATOM 23 O GLY A 91 10.062 5.766 0.714 1.00 1.61 O ATOM 0 H GLY A 91 11.540 7.993 1.731 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.612 8.167 2.390 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.310 8.405 0.800 1.00 1.31 H new ATOM 27 N LYS A 92 8.294 5.707 2.016 1.00 1.27 N ATOM 28 CA LYS A 92 8.113 4.246 1.779 1.00 1.47 C ATOM 29 C LYS A 92 6.651 3.852 2.003 1.00 1.40 C ATOM 30 O LYS A 92 5.845 3.874 1.093 1.00 1.56 O ATOM 31 CB LYS A 92 9.017 3.566 2.808 1.00 1.61 C ATOM 32 CG LYS A 92 10.320 3.132 2.135 1.00 1.94 C ATOM 33 CD LYS A 92 10.912 1.940 2.892 1.00 2.31 C ATOM 34 CE LYS A 92 11.083 0.760 1.933 1.00 2.59 C ATOM 35 NZ LYS A 92 11.897 -0.233 2.688 1.00 3.20 N ATOM 0 H LYS A 92 7.607 6.135 2.637 1.00 1.27 H new ATOM 0 HA LYS A 92 8.366 3.956 0.759 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.230 4.250 3.629 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.511 2.701 3.237 1.00 1.61 H new ATOM 0 HG2 LYS A 92 10.132 2.860 1.096 1.00 1.94 H new ATOM 0 HG3 LYS A 92 11.030 3.959 2.125 1.00 1.94 H new ATOM 0 HD2 LYS A 92 11.874 2.212 3.325 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.258 1.659 3.718 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.118 0.342 1.645 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.585 1.066 1.015 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 12.057 -1.073 2.096 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 12.812 0.190 2.943 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 11.391 -0.511 3.553 1.00 3.20 H new ATOM 49 N SER A 93 6.300 3.492 3.208 1.00 1.38 N ATOM 50 CA SER A 93 4.890 3.098 3.488 1.00 1.40 C ATOM 51 C SER A 93 4.106 4.297 4.026 1.00 1.20 C ATOM 52 O SER A 93 4.626 5.389 4.143 1.00 1.08 O ATOM 53 CB SER A 93 4.986 2.002 4.548 1.00 1.60 C ATOM 54 OG SER A 93 6.077 2.281 5.415 1.00 2.20 O ATOM 0 H SER A 93 6.929 3.454 4.010 1.00 1.38 H new ATOM 0 HA SER A 93 4.372 2.753 2.593 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.058 1.949 5.118 1.00 1.60 H new ATOM 0 HB3 SER A 93 5.124 1.031 4.072 1.00 1.60 H new ATOM 0 HG SER A 93 6.886 1.847 5.073 1.00 2.20 H new ATOM 60 N GLU A 94 2.859 4.104 4.354 1.00 1.26 N ATOM 61 CA GLU A 94 2.049 5.237 4.884 1.00 1.17 C ATOM 62 C GLU A 94 2.601 5.693 6.236 1.00 1.12 C ATOM 63 O GLU A 94 2.237 6.734 6.746 1.00 1.09 O ATOM 64 CB GLU A 94 0.635 4.680 5.036 1.00 1.33 C ATOM 65 CG GLU A 94 -0.319 5.478 4.147 1.00 1.28 C ATOM 66 CD GLU A 94 -1.315 4.527 3.482 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.871 3.623 2.793 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.505 4.718 3.673 1.00 1.94 O ATOM 0 H GLU A 94 2.367 3.214 4.279 1.00 1.26 H new ATOM 0 HA GLU A 94 2.071 6.105 4.225 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.615 3.626 4.758 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.317 4.741 6.077 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.851 6.221 4.742 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.244 6.021 3.388 1.00 1.28 H new ATOM 75 N GLU A 95 3.481 4.925 6.819 1.00 1.19 N ATOM 76 CA GLU A 95 4.059 5.323 8.134 1.00 1.23 C ATOM 77 C GLU A 95 4.731 6.692 8.012 1.00 1.03 C ATOM 78 O GLU A 95 4.273 7.672 8.564 1.00 1.01 O ATOM 79 CB GLU A 95 5.092 4.243 8.456 1.00 1.45 C ATOM 80 CG GLU A 95 4.675 3.499 9.726 1.00 1.90 C ATOM 81 CD GLU A 95 4.331 2.050 9.377 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.400 1.850 8.616 1.00 2.66 O ATOM 83 OE2 GLU A 95 5.005 1.165 9.879 1.00 2.49 O ATOM 0 H GLU A 95 3.824 4.041 6.443 1.00 1.19 H new ATOM 0 HA GLU A 95 3.303 5.405 8.915 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.175 3.544 7.623 1.00 1.45 H new ATOM 0 HB3 GLU A 95 6.075 4.694 8.592 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.482 3.526 10.458 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.814 3.989 10.182 1.00 1.90 H new ATOM 90 N GLU A 96 5.812 6.765 7.284 1.00 1.02 N ATOM 91 CA GLU A 96 6.511 8.070 7.116 1.00 0.94 C ATOM 92 C GLU A 96 5.740 8.949 6.128 1.00 0.79 C ATOM 93 O GLU A 96 5.694 10.156 6.258 1.00 0.82 O ATOM 94 CB GLU A 96 7.887 7.710 6.554 1.00 1.15 C ATOM 95 CG GLU A 96 8.474 6.544 7.350 1.00 1.62 C ATOM 96 CD GLU A 96 8.600 5.318 6.443 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.934 5.496 5.284 1.00 2.78 O ATOM 98 OE2 GLU A 96 8.362 4.222 6.924 1.00 2.18 O ATOM 0 H GLU A 96 6.241 5.977 6.799 1.00 1.02 H new ATOM 0 HA GLU A 96 6.587 8.627 8.050 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.802 7.440 5.501 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.551 8.573 6.609 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.451 6.817 7.748 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.835 6.314 8.203 1.00 1.62 H new ATOM 105 N LEU A 97 5.131 8.345 5.143 1.00 0.77 N ATOM 106 CA LEU A 97 4.355 9.132 4.142 1.00 0.71 C ATOM 107 C LEU A 97 3.556 10.236 4.841 1.00 0.67 C ATOM 108 O LEU A 97 3.660 11.399 4.505 1.00 0.75 O ATOM 109 CB LEU A 97 3.415 8.113 3.498 1.00 0.80 C ATOM 110 CG LEU A 97 3.775 7.936 2.021 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.500 9.239 1.270 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.258 7.575 1.893 1.00 1.22 C ATOM 0 H LEU A 97 5.138 7.337 4.988 1.00 0.77 H new ATOM 0 HA LEU A 97 4.995 9.624 3.409 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.489 7.157 4.017 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.382 8.447 3.592 1.00 0.80 H new ATOM 0 HG LEU A 97 3.170 7.136 1.594 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.756 9.114 0.218 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.444 9.494 1.358 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.104 10.040 1.697 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.512 7.449 0.841 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.865 8.373 2.320 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.454 6.645 2.427 1.00 1.22 H new ATOM 124 N SER A 98 2.761 9.880 5.813 1.00 0.69 N ATOM 125 CA SER A 98 1.960 10.910 6.534 1.00 0.76 C ATOM 126 C SER A 98 2.885 11.980 7.116 1.00 0.72 C ATOM 127 O SER A 98 2.536 13.141 7.199 1.00 0.77 O ATOM 128 CB SER A 98 1.252 10.149 7.653 1.00 0.92 C ATOM 129 OG SER A 98 0.938 11.050 8.707 1.00 1.57 O ATOM 0 H SER A 98 2.632 8.922 6.139 1.00 0.69 H new ATOM 0 HA SER A 98 1.254 11.420 5.879 1.00 0.76 H new ATOM 0 HB2 SER A 98 0.342 9.684 7.273 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.890 9.346 8.023 1.00 0.92 H new ATOM 0 HG SER A 98 0.482 10.566 9.427 1.00 1.57 H new ATOM 135 N ASP A 99 4.064 11.596 7.519 1.00 0.80 N ATOM 136 CA ASP A 99 5.017 12.587 8.096 1.00 0.86 C ATOM 137 C ASP A 99 5.946 13.125 7.004 1.00 0.81 C ATOM 138 O ASP A 99 6.721 14.033 7.226 1.00 0.91 O ATOM 139 CB ASP A 99 5.812 11.807 9.144 1.00 1.02 C ATOM 140 CG ASP A 99 5.279 12.137 10.540 1.00 1.23 C ATOM 141 OD1 ASP A 99 4.070 12.164 10.701 1.00 1.79 O ATOM 142 OD2 ASP A 99 6.090 12.357 11.425 1.00 1.83 O ATOM 0 H ASP A 99 4.410 10.638 7.474 1.00 0.80 H new ATOM 0 HA ASP A 99 4.508 13.448 8.530 1.00 0.86 H new ATOM 0 HB2 ASP A 99 5.730 10.737 8.956 1.00 1.02 H new ATOM 0 HB3 ASP A 99 6.870 12.062 9.077 1.00 1.02 H new ATOM 147 N LEU A 100 5.873 12.569 5.825 1.00 0.75 N ATOM 148 CA LEU A 100 6.751 13.048 4.719 1.00 0.76 C ATOM 149 C LEU A 100 6.304 14.438 4.258 1.00 0.68 C ATOM 150 O LEU A 100 7.071 15.380 4.262 1.00 0.79 O ATOM 151 CB LEU A 100 6.567 12.024 3.597 1.00 0.86 C ATOM 152 CG LEU A 100 7.879 11.271 3.365 1.00 0.79 C ATOM 153 CD1 LEU A 100 7.776 10.445 2.082 1.00 1.41 C ATOM 154 CD2 LEU A 100 9.027 12.275 3.230 1.00 1.41 C ATOM 0 H LEU A 100 5.244 11.804 5.580 1.00 0.75 H new ATOM 0 HA LEU A 100 7.794 13.134 5.024 1.00 0.76 H new ATOM 0 HB2 LEU A 100 5.775 11.322 3.859 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.258 12.526 2.680 1.00 0.86 H new ATOM 0 HG LEU A 100 8.069 10.609 4.210 1.00 0.79 H new ATOM 0 HD11 LEU A 100 8.711 9.909 1.918 1.00 1.41 H new ATOM 0 HD12 LEU A 100 6.959 9.729 2.175 1.00 1.41 H new ATOM 0 HD13 LEU A 100 7.584 11.107 1.238 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.962 11.739 3.065 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.834 12.937 2.386 1.00 1.41 H new ATOM 0 HD23 LEU A 100 9.104 12.865 4.143 1.00 1.41 H new ATOM 166 N PHE A 101 5.066 14.573 3.864 1.00 0.60 N ATOM 167 CA PHE A 101 4.570 15.903 3.407 1.00 0.59 C ATOM 168 C PHE A 101 5.077 17.000 4.348 1.00 0.60 C ATOM 169 O PHE A 101 5.270 18.132 3.952 1.00 0.72 O ATOM 170 CB PHE A 101 3.045 15.800 3.472 1.00 0.61 C ATOM 171 CG PHE A 101 2.429 16.880 2.614 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.239 18.165 3.136 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.047 16.595 1.298 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.667 19.166 2.341 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.475 17.596 0.503 1.00 0.90 C ATOM 176 CZ PHE A 101 1.285 18.881 1.024 1.00 0.69 C ATOM 0 H PHE A 101 4.378 13.821 3.839 1.00 0.60 H new ATOM 0 HA PHE A 101 4.917 16.156 2.405 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.721 14.818 3.127 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.707 15.903 4.503 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.534 18.384 4.152 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.193 15.603 0.896 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.520 20.157 2.743 1.00 0.73 H new ATOM 0 HE2 PHE A 101 1.180 17.376 -0.513 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.844 19.653 0.411 1.00 0.69 H new ATOM 186 N ARG A 102 5.298 16.669 5.591 1.00 0.67 N ATOM 187 CA ARG A 102 5.798 17.687 6.558 1.00 0.76 C ATOM 188 C ARG A 102 7.066 18.347 6.013 1.00 0.68 C ATOM 189 O ARG A 102 7.244 19.546 6.104 1.00 0.78 O ATOM 190 CB ARG A 102 6.110 16.897 7.830 1.00 0.99 C ATOM 191 CG ARG A 102 5.714 17.719 9.058 1.00 1.30 C ATOM 192 CD ARG A 102 6.178 16.995 10.324 1.00 1.45 C ATOM 193 NE ARG A 102 7.548 17.518 10.585 1.00 2.12 N ATOM 194 CZ ARG A 102 8.389 16.830 11.312 1.00 2.71 C ATOM 195 NH1 ARG A 102 8.032 15.682 11.822 1.00 3.07 N ATOM 196 NH2 ARG A 102 9.589 17.294 11.531 1.00 3.37 N ATOM 0 H ARG A 102 5.154 15.737 5.979 1.00 0.67 H new ATOM 0 HA ARG A 102 5.075 18.483 6.738 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.569 15.951 7.824 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.172 16.656 7.869 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.164 18.710 9.007 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.634 17.861 9.082 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.511 17.198 11.162 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.188 15.915 10.180 1.00 1.45 H new ATOM 0 HE ARG A 102 7.831 18.417 10.195 1.00 2.12 H new ATOM 0 HH11 ARG A 102 7.094 15.319 11.654 1.00 3.07 H new ATOM 0 HH12 ARG A 102 8.691 15.149 12.389 1.00 3.07 H new ATOM 0 HH21 ARG A 102 9.869 18.192 11.135 1.00 3.37 H new ATOM 0 HH22 ARG A 102 10.247 16.759 12.098 1.00 3.37 H new ATOM 210 N MET A 103 7.949 17.571 5.446 1.00 0.71 N ATOM 211 CA MET A 103 9.208 18.148 4.893 1.00 0.75 C ATOM 212 C MET A 103 9.038 18.452 3.402 1.00 0.68 C ATOM 213 O MET A 103 9.738 19.273 2.843 1.00 0.83 O ATOM 214 CB MET A 103 10.265 17.062 5.099 1.00 0.93 C ATOM 215 CG MET A 103 11.292 17.536 6.129 1.00 1.27 C ATOM 216 SD MET A 103 12.556 16.260 6.351 1.00 1.82 S ATOM 217 CE MET A 103 13.851 17.045 5.359 1.00 2.43 C ATOM 0 H MET A 103 7.853 16.561 5.342 1.00 0.71 H new ATOM 0 HA MET A 103 9.483 19.083 5.380 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.793 16.140 5.439 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.759 16.837 4.154 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.753 18.466 5.797 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.800 17.745 7.079 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.741 16.416 5.359 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.498 17.174 4.336 1.00 2.43 H new ATOM 0 HE3 MET A 103 14.095 18.018 5.784 1.00 2.43 H new ATOM 227 N PHE A 104 8.114 17.797 2.755 1.00 0.68 N ATOM 228 CA PHE A 104 7.901 18.049 1.301 1.00 0.79 C ATOM 229 C PHE A 104 7.393 19.476 1.080 1.00 0.71 C ATOM 230 O PHE A 104 7.600 20.064 0.038 1.00 0.88 O ATOM 231 CB PHE A 104 6.844 17.030 0.873 1.00 0.94 C ATOM 232 CG PHE A 104 7.282 16.359 -0.407 1.00 1.31 C ATOM 233 CD1 PHE A 104 7.376 17.102 -1.590 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.595 14.995 -0.410 1.00 1.26 C ATOM 235 CE1 PHE A 104 7.783 16.480 -2.776 1.00 2.65 C ATOM 236 CE2 PHE A 104 8.002 14.373 -1.597 1.00 1.86 C ATOM 237 CZ PHE A 104 8.096 15.116 -2.780 1.00 2.56 C ATOM 0 H PHE A 104 7.497 17.098 3.170 1.00 0.68 H new ATOM 0 HA PHE A 104 8.821 17.948 0.725 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.703 16.286 1.657 1.00 0.94 H new ATOM 0 HB3 PHE A 104 5.884 17.525 0.727 1.00 0.94 H new ATOM 0 HD1 PHE A 104 7.135 18.155 -1.587 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.523 14.422 0.503 1.00 1.26 H new ATOM 0 HE1 PHE A 104 7.856 17.053 -3.689 1.00 2.65 H new ATOM 0 HE2 PHE A 104 8.243 13.320 -1.600 1.00 1.86 H new ATOM 0 HZ PHE A 104 8.410 14.637 -3.695 1.00 2.56 H new ATOM 247 N ASP A 105 6.730 20.037 2.054 1.00 0.61 N ATOM 248 CA ASP A 105 6.210 21.426 1.899 1.00 0.60 C ATOM 249 C ASP A 105 7.275 22.441 2.323 1.00 0.56 C ATOM 250 O ASP A 105 7.199 23.026 3.386 1.00 0.63 O ATOM 251 CB ASP A 105 4.997 21.503 2.826 1.00 0.68 C ATOM 252 CG ASP A 105 4.024 22.565 2.308 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.242 23.055 1.212 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.078 22.869 3.016 1.00 1.45 O ATOM 0 H ASP A 105 6.526 19.594 2.950 1.00 0.61 H new ATOM 0 HA ASP A 105 5.948 21.654 0.866 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.501 20.533 2.875 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.315 21.750 3.839 1.00 0.68 H new ATOM 259 N LYS A 106 8.266 22.656 1.501 1.00 0.59 N ATOM 260 CA LYS A 106 9.332 23.635 1.860 1.00 0.66 C ATOM 261 C LYS A 106 8.705 24.896 2.460 1.00 0.55 C ATOM 262 O LYS A 106 9.234 25.487 3.380 1.00 0.63 O ATOM 263 CB LYS A 106 10.034 23.958 0.541 1.00 0.87 C ATOM 264 CG LYS A 106 11.290 24.784 0.820 1.00 1.21 C ATOM 265 CD LYS A 106 11.692 25.545 -0.445 1.00 1.61 C ATOM 266 CE LYS A 106 12.456 26.812 -0.058 1.00 1.77 C ATOM 267 NZ LYS A 106 11.403 27.833 0.195 1.00 2.14 N ATOM 0 H LYS A 106 8.384 22.197 0.598 1.00 0.59 H new ATOM 0 HA LYS A 106 10.026 23.240 2.602 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.300 23.036 0.023 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.361 24.510 -0.115 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.104 25.484 1.635 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.103 24.132 1.139 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.313 24.913 -1.080 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.805 25.805 -1.023 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.069 26.648 0.829 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.128 27.127 -0.856 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 11.849 28.732 0.466 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.840 27.972 -0.668 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 10.783 27.509 0.964 1.00 2.14 H new ATOM 281 N ASN A 107 7.578 25.309 1.948 1.00 0.48 N ATOM 282 CA ASN A 107 6.914 26.529 2.491 1.00 0.50 C ATOM 283 C ASN A 107 6.005 26.155 3.666 1.00 0.58 C ATOM 284 O ASN A 107 5.680 26.978 4.498 1.00 0.70 O ATOM 285 CB ASN A 107 6.089 27.082 1.330 1.00 0.54 C ATOM 286 CG ASN A 107 5.282 28.290 1.807 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.832 29.223 2.359 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.992 28.313 1.619 1.00 0.78 N ATOM 0 H ASN A 107 7.088 24.855 1.177 1.00 0.48 H new ATOM 0 HA ASN A 107 7.632 27.260 2.863 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.745 27.371 0.509 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.419 26.312 0.947 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.445 29.114 1.935 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.530 27.530 1.156 1.00 0.78 H new ATOM 295 N ALA A 108 5.593 24.918 3.739 1.00 0.65 N ATOM 296 CA ALA A 108 4.706 24.493 4.859 1.00 0.84 C ATOM 297 C ALA A 108 3.455 25.373 4.907 1.00 0.78 C ATOM 298 O ALA A 108 3.367 26.301 5.686 1.00 0.96 O ATOM 299 CB ALA A 108 5.546 24.685 6.123 1.00 1.03 C ATOM 0 H ALA A 108 5.832 24.184 3.072 1.00 0.65 H new ATOM 0 HA ALA A 108 4.365 23.464 4.748 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.962 24.393 6.996 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.442 24.067 6.062 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.834 25.732 6.213 1.00 1.03 H new ATOM 305 N ASP A 109 2.486 25.090 4.081 1.00 0.73 N ATOM 306 CA ASP A 109 1.243 25.914 4.083 1.00 0.74 C ATOM 307 C ASP A 109 0.012 25.020 3.912 1.00 0.78 C ATOM 308 O ASP A 109 -1.096 25.495 3.759 1.00 0.96 O ATOM 309 CB ASP A 109 1.391 26.860 2.890 1.00 0.72 C ATOM 310 CG ASP A 109 1.430 26.047 1.595 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.632 24.847 1.677 1.00 1.95 O ATOM 312 OD2 ASP A 109 1.258 26.640 0.542 1.00 1.66 O ATOM 0 H ASP A 109 2.500 24.326 3.406 1.00 0.73 H new ATOM 0 HA ASP A 109 1.111 26.457 5.019 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.559 27.564 2.865 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.303 27.448 2.990 1.00 0.72 H new ATOM 317 N GLY A 110 0.196 23.728 3.940 1.00 0.76 N ATOM 318 CA GLY A 110 -0.966 22.808 3.782 1.00 0.85 C ATOM 319 C GLY A 110 -0.967 22.215 2.373 1.00 0.70 C ATOM 320 O GLY A 110 -1.676 21.269 2.089 1.00 0.73 O ATOM 0 H GLY A 110 1.099 23.271 4.065 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.913 22.010 4.523 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.896 23.348 3.960 1.00 0.85 H new ATOM 324 N TYR A 111 -0.181 22.760 1.485 1.00 0.68 N ATOM 325 CA TYR A 111 -0.143 22.221 0.094 1.00 0.60 C ATOM 326 C TYR A 111 1.239 22.443 -0.527 1.00 0.58 C ATOM 327 O TYR A 111 2.104 23.061 0.060 1.00 0.83 O ATOM 328 CB TYR A 111 -1.204 23.017 -0.666 1.00 0.68 C ATOM 329 CG TYR A 111 -2.535 22.889 0.036 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.401 21.839 -0.291 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.905 23.824 1.011 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.637 21.723 0.357 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.141 23.707 1.660 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.007 22.657 1.332 1.00 0.80 C ATOM 335 OH TYR A 111 -6.225 22.543 1.970 1.00 0.90 O ATOM 0 H TYR A 111 0.435 23.553 1.661 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.334 21.148 0.063 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.913 24.066 -0.726 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.285 22.650 -1.689 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.116 21.118 -1.043 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.238 24.635 1.262 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -5.305 20.913 0.105 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -4.426 24.427 2.413 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.324 23.271 2.618 1.00 0.90 H new ATOM 345 N ILE A 112 1.449 21.944 -1.715 1.00 0.50 N ATOM 346 CA ILE A 112 2.770 22.124 -2.381 1.00 0.50 C ATOM 347 C ILE A 112 2.566 22.633 -3.813 1.00 0.49 C ATOM 348 O ILE A 112 2.035 21.940 -4.658 1.00 0.66 O ATOM 349 CB ILE A 112 3.407 20.730 -2.378 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.055 20.473 -1.015 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.476 20.641 -3.471 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.411 18.990 -0.889 1.00 0.66 C ATOM 0 H ILE A 112 0.761 21.418 -2.254 1.00 0.50 H new ATOM 0 HA ILE A 112 3.401 22.854 -1.874 1.00 0.50 H new ATOM 0 HB ILE A 112 2.636 19.983 -2.569 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.951 21.083 -0.906 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.373 20.763 -0.216 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.924 19.647 -3.462 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.018 20.824 -4.443 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.248 21.388 -3.287 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.872 18.808 0.082 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.506 18.390 -0.979 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.109 18.715 -1.680 1.00 0.66 H new ATOM 364 N ASP A 113 2.981 23.839 -4.089 1.00 0.47 N ATOM 365 CA ASP A 113 2.809 24.390 -5.464 1.00 0.50 C ATOM 366 C ASP A 113 3.830 23.764 -6.418 1.00 0.50 C ATOM 367 O ASP A 113 4.792 23.152 -5.999 1.00 0.57 O ATOM 368 CB ASP A 113 3.058 25.893 -5.323 1.00 0.60 C ATOM 369 CG ASP A 113 1.949 26.519 -4.475 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.831 26.037 -4.548 1.00 1.77 O ATOM 371 OD2 ASP A 113 2.238 27.471 -3.768 1.00 1.85 O ATOM 0 H ASP A 113 3.431 24.466 -3.423 1.00 0.47 H new ATOM 0 HA ASP A 113 1.821 24.177 -5.873 1.00 0.50 H new ATOM 0 HB2 ASP A 113 4.028 26.069 -4.859 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.086 26.361 -6.307 1.00 0.60 H new ATOM 376 N LEU A 114 3.628 23.914 -7.698 1.00 0.52 N ATOM 377 CA LEU A 114 4.586 23.328 -8.679 1.00 0.57 C ATOM 378 C LEU A 114 5.996 23.872 -8.432 1.00 0.63 C ATOM 379 O LEU A 114 6.978 23.177 -8.599 1.00 0.80 O ATOM 380 CB LEU A 114 4.072 23.770 -10.049 1.00 0.62 C ATOM 381 CG LEU A 114 2.989 22.801 -10.525 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.951 23.559 -11.353 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.628 21.708 -11.385 1.00 0.81 C ATOM 0 H LEU A 114 2.841 24.417 -8.108 1.00 0.52 H new ATOM 0 HA LEU A 114 4.647 22.243 -8.598 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.669 24.781 -9.989 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.893 23.796 -10.766 1.00 0.62 H new ATOM 0 HG LEU A 114 2.502 22.348 -9.661 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.180 22.867 -11.692 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.496 24.338 -10.741 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.436 24.013 -12.217 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.858 21.016 -11.725 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.115 22.162 -12.248 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.367 21.166 -10.795 1.00 0.81 H new ATOM 395 N ASP A 115 6.104 25.111 -8.037 1.00 0.61 N ATOM 396 CA ASP A 115 7.450 25.697 -7.783 1.00 0.71 C ATOM 397 C ASP A 115 8.080 25.064 -6.537 1.00 0.65 C ATOM 398 O ASP A 115 9.254 24.756 -6.514 1.00 0.89 O ATOM 399 CB ASP A 115 7.194 27.188 -7.558 1.00 0.80 C ATOM 400 CG ASP A 115 8.284 28.005 -8.256 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.374 27.921 -9.470 1.00 1.76 O ATOM 402 OD2 ASP A 115 9.008 28.701 -7.564 1.00 1.76 O ATOM 0 H ASP A 115 5.319 25.742 -7.879 1.00 0.61 H new ATOM 0 HA ASP A 115 8.140 25.521 -8.608 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.214 27.462 -7.948 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.186 27.409 -6.491 1.00 0.80 H new ATOM 407 N GLU A 116 7.307 24.868 -5.504 1.00 0.51 N ATOM 408 CA GLU A 116 7.863 24.254 -4.262 1.00 0.48 C ATOM 409 C GLU A 116 8.118 22.759 -4.480 1.00 0.49 C ATOM 410 O GLU A 116 8.676 22.085 -3.637 1.00 0.63 O ATOM 411 CB GLU A 116 6.786 24.467 -3.197 1.00 0.48 C ATOM 412 CG GLU A 116 6.425 25.952 -3.122 1.00 0.57 C ATOM 413 CD GLU A 116 5.101 26.119 -2.374 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.315 25.186 -2.386 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.894 27.178 -1.803 1.00 1.36 O ATOM 0 H GLU A 116 6.316 25.106 -5.465 1.00 0.51 H new ATOM 0 HA GLU A 116 8.815 24.699 -3.971 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.901 23.879 -3.438 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.145 24.120 -2.228 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.215 26.504 -2.612 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.343 26.368 -4.126 1.00 0.57 H new ATOM 422 N LEU A 117 7.708 22.236 -5.603 1.00 0.48 N ATOM 423 CA LEU A 117 7.922 20.784 -5.874 1.00 0.52 C ATOM 424 C LEU A 117 9.360 20.529 -6.335 1.00 0.58 C ATOM 425 O LEU A 117 9.988 19.569 -5.936 1.00 0.69 O ATOM 426 CB LEU A 117 6.937 20.445 -6.996 1.00 0.55 C ATOM 427 CG LEU A 117 5.562 20.144 -6.397 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.521 20.075 -7.517 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.609 18.802 -5.663 1.00 0.53 C ATOM 0 H LEU A 117 7.234 22.750 -6.345 1.00 0.48 H new ATOM 0 HA LEU A 117 7.763 20.174 -4.985 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.866 21.278 -7.695 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.295 19.584 -7.561 1.00 0.55 H new ATOM 0 HG LEU A 117 5.290 20.934 -5.696 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.541 19.860 -7.090 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.487 21.030 -8.042 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.792 19.285 -8.218 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.630 18.586 -5.236 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.881 18.013 -6.364 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.350 18.849 -4.865 1.00 0.53 H new ATOM 441 N LYS A 118 9.882 21.375 -7.180 1.00 0.59 N ATOM 442 CA LYS A 118 11.274 21.173 -7.677 1.00 0.69 C ATOM 443 C LYS A 118 12.283 21.921 -6.801 1.00 0.64 C ATOM 444 O LYS A 118 13.453 21.594 -6.773 1.00 0.73 O ATOM 445 CB LYS A 118 11.267 21.749 -9.093 1.00 0.83 C ATOM 446 CG LYS A 118 10.963 23.246 -9.031 1.00 0.99 C ATOM 447 CD LYS A 118 12.129 24.029 -9.635 1.00 1.35 C ATOM 448 CE LYS A 118 11.627 25.382 -10.142 1.00 1.51 C ATOM 449 NZ LYS A 118 12.099 25.462 -11.552 1.00 1.99 N ATOM 0 H LYS A 118 9.405 22.198 -7.548 1.00 0.59 H new ATOM 0 HA LYS A 118 11.566 20.123 -7.655 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.233 21.582 -9.570 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.519 21.240 -9.701 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.044 23.464 -9.575 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.802 23.553 -7.998 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.909 24.175 -8.887 1.00 1.35 H new ATOM 0 HD3 LYS A 118 12.575 23.464 -10.454 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.540 25.447 -10.085 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.027 26.201 -9.544 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.793 26.364 -11.970 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 13.137 25.404 -11.574 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.697 24.674 -12.098 1.00 1.99 H new ATOM 463 N ILE A 119 11.849 22.926 -6.091 1.00 0.68 N ATOM 464 CA ILE A 119 12.800 23.688 -5.231 1.00 0.74 C ATOM 465 C ILE A 119 13.099 22.918 -3.941 1.00 0.75 C ATOM 466 O ILE A 119 14.158 23.052 -3.361 1.00 0.85 O ATOM 467 CB ILE A 119 12.088 25.004 -4.917 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.130 25.913 -6.148 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.790 25.698 -3.747 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.506 27.268 -5.806 1.00 1.06 C ATOM 0 H ILE A 119 10.883 23.252 -6.068 1.00 0.68 H new ATOM 0 HA ILE A 119 13.757 23.849 -5.727 1.00 0.74 H new ATOM 0 HB ILE A 119 11.051 24.801 -4.650 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.160 26.048 -6.478 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.589 25.450 -6.973 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.283 26.636 -3.523 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.761 25.051 -2.870 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.827 25.901 -4.014 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.536 27.914 -6.683 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.471 27.124 -5.497 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.066 27.732 -4.994 1.00 1.06 H new ATOM 482 N MET A 120 12.177 22.118 -3.482 1.00 0.85 N ATOM 483 CA MET A 120 12.420 21.350 -2.226 1.00 1.01 C ATOM 484 C MET A 120 13.569 20.356 -2.423 1.00 0.95 C ATOM 485 O MET A 120 14.387 20.157 -1.547 1.00 1.11 O ATOM 486 CB MET A 120 11.111 20.608 -1.954 1.00 1.17 C ATOM 487 CG MET A 120 11.239 19.810 -0.654 1.00 1.52 C ATOM 488 SD MET A 120 11.819 18.138 -1.030 1.00 1.88 S ATOM 489 CE MET A 120 10.193 17.350 -1.120 1.00 1.43 C ATOM 0 H MET A 120 11.269 21.962 -3.919 1.00 0.85 H new ATOM 0 HA MET A 120 12.702 21.998 -1.396 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.287 21.318 -1.878 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.880 19.939 -2.783 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.936 20.305 0.022 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.276 19.767 -0.144 1.00 1.52 H new ATOM 0 HE1 MET A 120 10.048 16.714 -0.247 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.418 18.116 -1.143 1.00 1.43 H new ATOM 0 HE3 MET A 120 10.132 16.745 -2.024 1.00 1.43 H new ATOM 499 N LEU A 121 13.636 19.729 -3.566 1.00 0.87 N ATOM 500 CA LEU A 121 14.732 18.748 -3.814 1.00 0.95 C ATOM 501 C LEU A 121 15.954 19.451 -4.413 1.00 0.87 C ATOM 502 O LEU A 121 17.028 18.890 -4.488 1.00 0.97 O ATOM 503 CB LEU A 121 14.147 17.744 -4.807 1.00 1.09 C ATOM 504 CG LEU A 121 14.384 16.322 -4.295 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.089 15.769 -3.698 1.00 2.03 C ATOM 506 CD2 LEU A 121 14.830 15.430 -5.456 1.00 1.80 C ATOM 0 H LEU A 121 12.981 19.853 -4.338 1.00 0.87 H new ATOM 0 HA LEU A 121 15.068 18.265 -2.896 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.079 17.923 -4.935 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.611 17.872 -5.785 1.00 1.09 H new ATOM 0 HG LEU A 121 15.159 16.338 -3.528 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.260 14.756 -3.334 1.00 2.03 H new ATOM 0 HD12 LEU A 121 12.770 16.403 -2.871 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.313 15.753 -4.463 1.00 2.03 H new ATOM 0 HD21 LEU A 121 14.999 14.417 -5.092 1.00 1.80 H new ATOM 0 HD22 LEU A 121 14.055 15.416 -6.222 1.00 1.80 H new ATOM 0 HD23 LEU A 121 15.754 15.822 -5.882 1.00 1.80 H new ATOM 518 N GLN A 122 15.801 20.676 -4.839 1.00 0.82 N ATOM 519 CA GLN A 122 16.960 21.408 -5.430 1.00 0.95 C ATOM 520 C GLN A 122 18.210 21.195 -4.574 1.00 1.04 C ATOM 521 O GLN A 122 19.324 21.279 -5.053 1.00 1.19 O ATOM 522 CB GLN A 122 16.546 22.880 -5.425 1.00 1.14 C ATOM 523 CG GLN A 122 16.273 23.338 -6.859 1.00 1.42 C ATOM 524 CD GLN A 122 17.185 24.518 -7.200 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.358 24.340 -7.460 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.691 25.726 -7.210 1.00 2.28 N ATOM 0 H GLN A 122 14.927 21.201 -4.804 1.00 0.82 H new ATOM 0 HA GLN A 122 17.201 21.059 -6.434 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.655 23.016 -4.813 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.334 23.489 -4.981 1.00 1.14 H new ATOM 0 HG2 GLN A 122 16.448 22.517 -7.554 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.228 23.629 -6.966 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.706 25.876 -6.992 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.290 26.520 -7.436 1.00 2.28 H new ATOM 535 N ALA A 123 18.036 20.917 -3.311 1.00 1.09 N ATOM 536 CA ALA A 123 19.216 20.697 -2.428 1.00 1.33 C ATOM 537 C ALA A 123 20.023 19.492 -2.919 1.00 1.38 C ATOM 538 O ALA A 123 21.217 19.407 -2.713 1.00 1.62 O ATOM 539 CB ALA A 123 18.627 20.420 -1.044 1.00 1.45 C ATOM 0 H ALA A 123 17.129 20.833 -2.853 1.00 1.09 H new ATOM 0 HA ALA A 123 19.893 21.551 -2.419 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.435 20.247 -0.333 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.037 21.278 -0.721 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.989 19.538 -1.090 1.00 1.45 H new ATOM 545 N THR A 124 19.380 18.560 -3.568 1.00 1.29 N ATOM 546 CA THR A 124 20.113 17.362 -4.071 1.00 1.47 C ATOM 547 C THR A 124 20.715 17.649 -5.448 1.00 1.44 C ATOM 548 O THR A 124 21.505 16.883 -5.963 1.00 1.72 O ATOM 549 CB THR A 124 19.055 16.262 -4.167 1.00 1.56 C ATOM 550 OG1 THR A 124 17.998 16.698 -5.010 1.00 2.16 O ATOM 551 CG2 THR A 124 18.506 15.955 -2.773 1.00 1.92 C ATOM 0 H THR A 124 18.381 18.575 -3.772 1.00 1.29 H new ATOM 0 HA THR A 124 20.938 17.079 -3.417 1.00 1.47 H new ATOM 0 HB THR A 124 19.504 15.360 -4.583 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.323 17.163 -4.474 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.752 15.171 -2.843 1.00 1.92 H new ATOM 0 HG22 THR A 124 19.318 15.621 -2.128 1.00 1.92 H new ATOM 0 HG23 THR A 124 18.056 16.854 -2.353 1.00 1.92 H new ATOM 559 N GLY A 125 20.349 18.747 -6.049 1.00 1.26 N ATOM 560 CA GLY A 125 20.904 19.079 -7.391 1.00 1.32 C ATOM 561 C GLY A 125 19.792 19.016 -8.439 1.00 1.26 C ATOM 562 O GLY A 125 20.038 19.148 -9.621 1.00 1.63 O ATOM 0 H GLY A 125 19.691 19.428 -5.670 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.347 20.075 -7.376 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.700 18.380 -7.649 1.00 1.32 H new ATOM 566 N GLU A 126 18.571 18.818 -8.017 1.00 1.02 N ATOM 567 CA GLU A 126 17.444 18.750 -8.994 1.00 1.08 C ATOM 568 C GLU A 126 17.596 19.853 -10.046 1.00 0.89 C ATOM 569 O GLU A 126 17.154 20.969 -9.858 1.00 0.87 O ATOM 570 CB GLU A 126 16.182 18.966 -8.150 1.00 1.34 C ATOM 571 CG GLU A 126 14.976 19.236 -9.057 1.00 1.45 C ATOM 572 CD GLU A 126 14.169 17.948 -9.226 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.778 16.915 -9.448 1.00 2.09 O ATOM 574 OE2 GLU A 126 12.954 18.017 -9.132 1.00 2.16 O ATOM 0 H GLU A 126 18.305 18.701 -7.039 1.00 1.02 H new ATOM 0 HA GLU A 126 17.412 17.804 -9.535 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.993 18.087 -7.534 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.330 19.805 -7.470 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.350 20.017 -8.625 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.312 19.598 -10.029 1.00 1.45 H new ATOM 581 N THR A 127 18.220 19.550 -11.151 1.00 1.09 N ATOM 582 CA THR A 127 18.400 20.583 -12.212 1.00 1.21 C ATOM 583 C THR A 127 17.555 20.239 -13.441 1.00 1.29 C ATOM 584 O THR A 127 17.976 19.500 -14.309 1.00 1.60 O ATOM 585 CB THR A 127 19.891 20.546 -12.558 1.00 1.57 C ATOM 586 OG1 THR A 127 20.109 21.243 -13.777 1.00 1.91 O ATOM 587 CG2 THR A 127 20.350 19.095 -12.712 1.00 2.18 C ATOM 0 H THR A 127 18.613 18.633 -11.366 1.00 1.09 H new ATOM 0 HA THR A 127 18.084 21.571 -11.878 1.00 1.21 H new ATOM 0 HB THR A 127 20.459 21.020 -11.758 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.063 21.222 -14.000 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.412 19.073 -12.958 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.183 18.560 -11.777 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.783 18.617 -13.510 1.00 2.18 H new ATOM 595 N ILE A 128 16.370 20.778 -13.527 1.00 1.08 N ATOM 596 CA ILE A 128 15.502 20.492 -14.706 1.00 1.20 C ATOM 597 C ILE A 128 14.825 21.779 -15.186 1.00 1.18 C ATOM 598 O ILE A 128 14.752 22.757 -14.468 1.00 1.15 O ATOM 599 CB ILE A 128 14.463 19.475 -14.220 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.374 20.183 -13.403 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.144 18.413 -13.355 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.961 20.711 -12.092 1.00 2.03 C ATOM 0 H ILE A 128 15.964 21.405 -12.832 1.00 1.08 H new ATOM 0 HA ILE A 128 16.073 20.101 -15.548 1.00 1.20 H new ATOM 0 HB ILE A 128 14.005 18.998 -15.086 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.953 21.006 -13.980 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.558 19.491 -13.193 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.402 17.692 -13.012 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.905 17.899 -13.942 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.612 18.890 -12.494 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.180 21.212 -11.519 1.00 2.03 H new ATOM 0 HD12 ILE A 128 14.360 19.880 -11.511 1.00 2.03 H new ATOM 0 HD13 ILE A 128 14.761 21.418 -12.310 1.00 2.03 H new ATOM 614 N THR A 129 14.326 21.788 -16.392 1.00 1.34 N ATOM 615 CA THR A 129 13.654 23.014 -16.909 1.00 1.42 C ATOM 616 C THR A 129 12.415 23.332 -16.067 1.00 1.16 C ATOM 617 O THR A 129 12.209 22.767 -15.011 1.00 0.97 O ATOM 618 CB THR A 129 13.253 22.671 -18.345 1.00 1.64 C ATOM 619 OG1 THR A 129 14.139 21.687 -18.860 1.00 2.23 O ATOM 620 CG2 THR A 129 13.326 23.929 -19.210 1.00 2.28 C ATOM 0 H THR A 129 14.354 21.001 -17.040 1.00 1.34 H new ATOM 0 HA THR A 129 14.302 23.890 -16.865 1.00 1.42 H new ATOM 0 HB THR A 129 12.234 22.284 -18.356 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.882 21.465 -19.779 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.040 23.684 -20.233 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.646 24.683 -18.814 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.344 24.318 -19.201 1.00 2.28 H new ATOM 628 N GLU A 130 11.589 24.232 -16.526 1.00 1.31 N ATOM 629 CA GLU A 130 10.364 24.586 -15.752 1.00 1.28 C ATOM 630 C GLU A 130 9.210 23.655 -16.133 1.00 1.16 C ATOM 631 O GLU A 130 8.520 23.129 -15.284 1.00 1.21 O ATOM 632 CB GLU A 130 10.047 26.027 -16.152 1.00 1.69 C ATOM 633 CG GLU A 130 8.623 26.380 -15.720 1.00 2.05 C ATOM 634 CD GLU A 130 8.259 27.769 -16.250 1.00 2.43 C ATOM 635 OE1 GLU A 130 7.992 27.877 -17.435 1.00 3.03 O ATOM 636 OE2 GLU A 130 8.253 28.700 -15.461 1.00 2.70 O ATOM 0 H GLU A 130 11.709 24.738 -17.404 1.00 1.31 H new ATOM 0 HA GLU A 130 10.510 24.485 -14.677 1.00 1.28 H new ATOM 0 HB2 GLU A 130 10.758 26.709 -15.686 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.150 26.146 -17.230 1.00 1.69 H new ATOM 0 HG2 GLU A 130 7.921 25.638 -16.101 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.546 26.362 -14.633 1.00 2.05 H new ATOM 643 N ASP A 131 8.995 23.447 -17.403 1.00 1.18 N ATOM 644 CA ASP A 131 7.885 22.548 -17.829 1.00 1.19 C ATOM 645 C ASP A 131 8.113 21.135 -17.285 1.00 1.07 C ATOM 646 O ASP A 131 7.205 20.330 -17.221 1.00 1.14 O ATOM 647 CB ASP A 131 7.935 22.550 -19.358 1.00 1.44 C ATOM 648 CG ASP A 131 6.529 22.312 -19.913 1.00 1.48 C ATOM 649 OD1 ASP A 131 5.767 21.616 -19.263 1.00 2.07 O ATOM 650 OD2 ASP A 131 6.239 22.830 -20.979 1.00 1.91 O ATOM 0 H ASP A 131 9.538 23.859 -18.162 1.00 1.18 H new ATOM 0 HA ASP A 131 6.917 22.881 -17.454 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.324 23.502 -19.719 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.614 21.774 -19.712 1.00 1.44 H new ATOM 655 N ASP A 132 9.319 20.829 -16.890 1.00 1.00 N ATOM 656 CA ASP A 132 9.604 19.469 -16.348 1.00 1.03 C ATOM 657 C ASP A 132 8.956 19.300 -14.971 1.00 0.88 C ATOM 658 O ASP A 132 8.777 18.199 -14.490 1.00 1.03 O ATOM 659 CB ASP A 132 11.128 19.397 -16.234 1.00 1.13 C ATOM 660 CG ASP A 132 11.601 17.986 -16.589 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.008 17.042 -16.092 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.547 17.873 -17.351 1.00 1.79 O ATOM 0 H ASP A 132 10.119 21.461 -16.919 1.00 1.00 H new ATOM 0 HA ASP A 132 9.205 18.680 -16.986 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.588 20.125 -16.902 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.440 19.652 -15.221 1.00 1.13 H new ATOM 667 N ILE A 133 8.602 20.383 -14.333 1.00 0.75 N ATOM 668 CA ILE A 133 7.966 20.282 -12.988 1.00 0.77 C ATOM 669 C ILE A 133 6.510 19.829 -13.127 1.00 0.70 C ATOM 670 O ILE A 133 6.045 18.970 -12.404 1.00 0.82 O ATOM 671 CB ILE A 133 8.037 21.695 -12.408 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.455 22.247 -12.579 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.682 21.656 -10.921 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.473 21.199 -12.125 1.00 1.00 C ATOM 0 H ILE A 133 8.726 21.332 -14.685 1.00 0.75 H new ATOM 0 HA ILE A 133 8.465 19.555 -12.347 1.00 0.77 H new ATOM 0 HB ILE A 133 7.331 22.338 -12.933 1.00 0.87 H new ATOM 0 HG12 ILE A 133 9.630 22.510 -13.622 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.573 23.160 -11.995 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.733 22.664 -10.508 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.672 21.264 -10.798 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.387 21.013 -10.395 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.481 21.594 -12.248 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.303 20.957 -11.076 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.361 20.298 -12.728 1.00 1.00 H new ATOM 686 N GLU A 134 5.789 20.398 -14.054 1.00 0.61 N ATOM 687 CA GLU A 134 4.364 19.999 -14.241 1.00 0.64 C ATOM 688 C GLU A 134 4.275 18.515 -14.608 1.00 0.64 C ATOM 689 O GLU A 134 3.239 17.894 -14.472 1.00 0.76 O ATOM 690 CB GLU A 134 3.858 20.866 -15.395 1.00 0.73 C ATOM 691 CG GLU A 134 3.438 22.237 -14.862 1.00 0.89 C ATOM 692 CD GLU A 134 2.623 22.969 -15.930 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.488 22.430 -17.016 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.148 24.056 -15.644 1.00 1.86 O ATOM 0 H GLU A 134 6.124 21.122 -14.690 1.00 0.61 H new ATOM 0 HA GLU A 134 3.774 20.139 -13.336 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.639 20.981 -16.146 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.014 20.381 -15.884 1.00 0.73 H new ATOM 0 HG2 GLU A 134 2.847 22.121 -13.954 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.319 22.822 -14.597 1.00 0.89 H new ATOM 701 N GLU A 135 5.352 17.944 -15.073 1.00 0.59 N ATOM 702 CA GLU A 135 5.326 16.502 -15.451 1.00 0.67 C ATOM 703 C GLU A 135 5.214 15.626 -14.201 1.00 0.74 C ATOM 704 O GLU A 135 4.604 14.576 -14.221 1.00 0.91 O ATOM 705 CB GLU A 135 6.658 16.254 -16.160 1.00 0.72 C ATOM 706 CG GLU A 135 6.395 15.772 -17.588 1.00 1.16 C ATOM 707 CD GLU A 135 7.234 14.524 -17.870 1.00 1.56 C ATOM 708 OE1 GLU A 135 8.439 14.590 -17.691 1.00 2.03 O ATOM 709 OE2 GLU A 135 6.657 13.522 -18.262 1.00 2.29 O ATOM 0 H GLU A 135 6.248 18.413 -15.208 1.00 0.59 H new ATOM 0 HA GLU A 135 4.474 16.259 -16.085 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.249 17.170 -16.177 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.239 15.510 -15.615 1.00 0.72 H new ATOM 0 HG2 GLU A 135 5.336 15.548 -17.718 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.644 16.559 -18.300 1.00 1.16 H new ATOM 716 N LEU A 136 5.798 16.047 -13.113 1.00 0.73 N ATOM 717 CA LEU A 136 5.723 15.233 -11.867 1.00 0.87 C ATOM 718 C LEU A 136 4.396 15.485 -11.146 1.00 0.81 C ATOM 719 O LEU A 136 3.783 14.577 -10.620 1.00 1.00 O ATOM 720 CB LEU A 136 6.901 15.706 -11.014 1.00 0.99 C ATOM 721 CG LEU A 136 8.182 15.024 -11.497 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.319 16.045 -11.548 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.552 13.896 -10.532 1.00 1.75 C ATOM 0 H LEU A 136 6.323 16.918 -13.033 1.00 0.73 H new ATOM 0 HA LEU A 136 5.771 14.163 -12.069 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.004 16.789 -11.084 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.723 15.470 -9.965 1.00 0.99 H new ATOM 0 HG LEU A 136 8.021 14.613 -12.494 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.231 15.557 -11.892 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.056 16.849 -12.235 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.482 16.458 -10.553 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.465 13.409 -10.875 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.713 14.308 -9.536 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.743 13.167 -10.497 1.00 1.75 H new ATOM 735 N MET A 137 3.947 16.710 -11.116 1.00 0.67 N ATOM 736 CA MET A 137 2.659 17.013 -10.428 1.00 0.71 C ATOM 737 C MET A 137 1.543 16.115 -10.970 1.00 0.68 C ATOM 738 O MET A 137 0.593 15.804 -10.279 1.00 0.70 O ATOM 739 CB MET A 137 2.371 18.479 -10.753 1.00 0.82 C ATOM 740 CG MET A 137 0.940 18.821 -10.335 1.00 0.99 C ATOM 741 SD MET A 137 0.722 20.617 -10.335 1.00 0.94 S ATOM 742 CE MET A 137 0.524 20.821 -8.548 1.00 0.53 C ATOM 0 H MET A 137 4.415 17.513 -11.537 1.00 0.67 H new ATOM 0 HA MET A 137 2.715 16.836 -9.354 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.078 19.124 -10.231 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.503 18.659 -11.820 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.230 18.358 -11.020 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.734 18.419 -9.343 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.241 21.572 -8.350 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.224 19.872 -8.104 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.470 21.142 -8.111 1.00 0.53 H new ATOM 752 N LYS A 138 1.649 15.695 -12.202 1.00 0.76 N ATOM 753 CA LYS A 138 0.592 14.818 -12.784 1.00 0.82 C ATOM 754 C LYS A 138 0.260 13.676 -11.819 1.00 0.72 C ATOM 755 O LYS A 138 -0.824 13.129 -11.839 1.00 0.84 O ATOM 756 CB LYS A 138 1.199 14.268 -14.076 1.00 0.99 C ATOM 757 CG LYS A 138 1.344 15.400 -15.097 1.00 1.57 C ATOM 758 CD LYS A 138 0.347 15.189 -16.238 1.00 2.09 C ATOM 759 CE LYS A 138 -0.011 16.540 -16.861 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.539 16.212 -18.214 1.00 3.43 N ATOM 0 H LYS A 138 2.421 15.921 -12.830 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.337 15.359 -12.968 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.172 13.822 -13.872 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.565 13.479 -14.480 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.165 16.362 -14.617 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.361 15.423 -15.488 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.777 14.531 -16.993 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.552 14.700 -15.863 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.756 17.065 -16.263 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.862 17.189 -16.925 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.807 17.089 -18.704 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 0.194 15.719 -18.762 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -1.374 15.599 -18.122 1.00 3.43 H new ATOM 774 N ASP A 139 1.186 13.312 -10.974 1.00 0.75 N ATOM 775 CA ASP A 139 0.923 12.206 -10.008 1.00 0.78 C ATOM 776 C ASP A 139 0.605 12.779 -8.624 1.00 0.70 C ATOM 777 O ASP A 139 0.263 12.058 -7.708 1.00 0.81 O ATOM 778 CB ASP A 139 2.221 11.400 -9.969 1.00 0.97 C ATOM 779 CG ASP A 139 2.273 10.457 -11.172 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.696 10.798 -12.191 1.00 1.66 O ATOM 781 OD2 ASP A 139 2.889 9.411 -11.054 1.00 1.69 O ATOM 0 H ASP A 139 2.113 13.732 -10.910 1.00 0.75 H new ATOM 0 HA ASP A 139 0.071 11.593 -10.302 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.079 12.072 -9.983 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.279 10.828 -9.043 1.00 0.97 H new ATOM 786 N GLY A 140 0.714 14.070 -8.467 1.00 0.64 N ATOM 787 CA GLY A 140 0.417 14.687 -7.143 1.00 0.62 C ATOM 788 C GLY A 140 -0.797 15.609 -7.268 1.00 0.57 C ATOM 789 O GLY A 140 -1.374 16.028 -6.284 1.00 0.65 O ATOM 0 H GLY A 140 0.996 14.724 -9.198 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.222 13.910 -6.404 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.281 15.252 -6.792 1.00 0.62 H new ATOM 793 N ASP A 141 -1.192 15.929 -8.470 1.00 0.56 N ATOM 794 CA ASP A 141 -2.371 16.824 -8.650 1.00 0.56 C ATOM 795 C ASP A 141 -3.070 16.523 -9.979 1.00 0.58 C ATOM 796 O ASP A 141 -3.224 17.388 -10.819 1.00 0.64 O ATOM 797 CB ASP A 141 -1.795 18.240 -8.655 1.00 0.60 C ATOM 798 CG ASP A 141 -2.679 19.154 -7.804 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.623 18.653 -7.217 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.396 20.340 -7.754 1.00 1.23 O ATOM 0 H ASP A 141 -0.751 15.611 -9.333 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.115 16.688 -7.865 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.778 18.232 -8.263 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.740 18.618 -9.676 1.00 0.60 H new ATOM 805 N LYS A 142 -3.498 15.306 -10.174 1.00 0.62 N ATOM 806 CA LYS A 142 -4.191 14.957 -11.447 1.00 0.70 C ATOM 807 C LYS A 142 -5.318 15.956 -11.719 1.00 0.79 C ATOM 808 O LYS A 142 -5.695 16.191 -12.850 1.00 0.92 O ATOM 809 CB LYS A 142 -4.757 13.555 -11.219 1.00 0.79 C ATOM 810 CG LYS A 142 -3.812 12.517 -11.827 1.00 0.88 C ATOM 811 CD LYS A 142 -4.482 11.862 -13.037 1.00 1.37 C ATOM 812 CE LYS A 142 -3.521 11.882 -14.227 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.989 10.494 -14.314 1.00 2.44 N ATOM 0 H LYS A 142 -3.398 14.539 -9.509 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.522 14.988 -12.307 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.879 13.370 -10.152 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.745 13.472 -11.672 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.878 12.992 -12.128 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.560 11.760 -11.084 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.762 10.836 -12.799 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.400 12.393 -13.289 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.035 12.166 -15.145 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.719 12.604 -14.075 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.321 10.427 -15.108 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.499 10.254 -13.429 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.775 9.830 -14.466 1.00 2.44 H new ATOM 827 N ASN A 143 -5.856 16.549 -10.688 1.00 0.80 N ATOM 828 CA ASN A 143 -6.955 17.538 -10.884 1.00 0.95 C ATOM 829 C ASN A 143 -6.393 18.829 -11.482 1.00 0.92 C ATOM 830 O ASN A 143 -7.120 19.664 -11.982 1.00 1.08 O ATOM 831 CB ASN A 143 -7.511 17.799 -9.482 1.00 1.07 C ATOM 832 CG ASN A 143 -7.656 16.475 -8.730 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.961 15.457 -9.320 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.447 16.444 -7.441 1.00 1.70 N ATOM 0 H ASN A 143 -5.582 16.392 -9.718 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.724 17.173 -11.565 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.846 18.468 -8.935 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.478 18.297 -9.551 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.540 15.566 -6.930 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.191 17.298 -6.945 1.00 1.70 H new ATOM 841 N ASN A 144 -5.100 18.997 -11.432 1.00 0.86 N ATOM 842 CA ASN A 144 -4.482 20.231 -11.995 1.00 0.93 C ATOM 843 C ASN A 144 -5.160 21.477 -11.418 1.00 1.03 C ATOM 844 O ASN A 144 -5.378 22.452 -12.109 1.00 1.71 O ATOM 845 CB ASN A 144 -4.718 20.142 -13.502 1.00 1.08 C ATOM 846 CG ASN A 144 -3.406 20.420 -14.239 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.823 21.475 -14.087 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.915 19.512 -15.037 1.00 1.97 N ATOM 0 H ASN A 144 -4.443 18.331 -11.025 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.422 20.307 -11.752 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.093 19.153 -13.765 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.478 20.862 -13.805 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.041 19.688 -15.533 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.405 18.626 -15.164 1.00 1.97 H new ATOM 855 N ASP A 145 -5.492 21.453 -10.156 1.00 0.88 N ATOM 856 CA ASP A 145 -6.151 22.639 -9.537 1.00 0.92 C ATOM 857 C ASP A 145 -5.093 23.630 -9.046 1.00 0.91 C ATOM 858 O ASP A 145 -5.401 24.734 -8.644 1.00 1.07 O ATOM 859 CB ASP A 145 -6.952 22.081 -8.361 1.00 0.93 C ATOM 860 CG ASP A 145 -5.996 21.458 -7.341 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.091 20.756 -7.760 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.186 21.695 -6.160 1.00 2.06 O ATOM 0 H ASP A 145 -5.336 20.665 -9.527 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.787 23.174 -10.242 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.532 22.876 -7.893 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.662 21.333 -8.713 1.00 0.93 H new ATOM 867 N GLY A 146 -3.847 23.243 -9.077 1.00 0.84 N ATOM 868 CA GLY A 146 -2.771 24.163 -8.613 1.00 0.92 C ATOM 869 C GLY A 146 -2.442 23.873 -7.148 1.00 0.66 C ATOM 870 O GLY A 146 -1.697 24.595 -6.516 1.00 0.74 O ATOM 0 H GLY A 146 -3.528 22.331 -9.403 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.880 24.036 -9.228 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.091 25.199 -8.726 1.00 0.92 H new ATOM 874 N ARG A 147 -2.990 22.823 -6.600 1.00 0.56 N ATOM 875 CA ARG A 147 -2.702 22.496 -5.174 1.00 0.54 C ATOM 876 C ARG A 147 -2.551 20.984 -4.988 1.00 0.46 C ATOM 877 O ARG A 147 -3.339 20.205 -5.486 1.00 0.45 O ATOM 878 CB ARG A 147 -3.917 23.005 -4.397 1.00 0.77 C ATOM 879 CG ARG A 147 -4.060 24.515 -4.597 1.00 1.39 C ATOM 880 CD ARG A 147 -2.930 25.238 -3.860 1.00 1.79 C ATOM 881 NE ARG A 147 -3.617 26.137 -2.891 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.917 26.907 -2.100 1.00 2.87 C ATOM 883 NH1 ARG A 147 -1.612 26.882 -2.145 1.00 3.10 N ATOM 884 NH2 ARG A 147 -3.524 27.699 -1.260 1.00 3.37 N ATOM 0 H ARG A 147 -3.622 22.179 -7.076 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.773 22.951 -4.832 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.818 22.496 -4.738 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.804 22.778 -3.337 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.028 24.756 -5.659 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -5.027 24.852 -4.223 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -2.277 24.531 -3.348 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -2.307 25.805 -4.552 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.636 26.152 -2.845 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -1.136 26.260 -2.799 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -1.069 27.484 -1.526 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -4.543 27.717 -1.221 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -2.980 28.301 -0.642 1.00 3.37 H new ATOM 898 N ILE A 148 -1.547 20.565 -4.267 1.00 0.49 N ATOM 899 CA ILE A 148 -1.350 19.105 -4.038 1.00 0.44 C ATOM 900 C ILE A 148 -1.791 18.736 -2.618 1.00 0.46 C ATOM 901 O ILE A 148 -1.082 18.968 -1.659 1.00 0.63 O ATOM 902 CB ILE A 148 0.151 18.873 -4.210 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.597 19.409 -5.572 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.447 17.373 -4.130 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.075 19.081 -5.791 1.00 0.63 C ATOM 0 H ILE A 148 -0.854 21.171 -3.826 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.935 18.494 -4.726 1.00 0.44 H new ATOM 0 HB ILE A 148 0.693 19.393 -3.420 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.006 18.965 -6.364 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.442 20.487 -5.619 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.517 17.206 -4.253 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.129 16.991 -3.160 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.094 16.853 -4.920 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.393 19.463 -6.761 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.671 19.545 -5.005 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.216 18.001 -5.763 1.00 0.63 H new ATOM 917 N ASP A 149 -2.960 18.172 -2.475 1.00 0.48 N ATOM 918 CA ASP A 149 -3.446 17.799 -1.115 1.00 0.53 C ATOM 919 C ASP A 149 -2.913 16.422 -0.710 1.00 0.53 C ATOM 920 O ASP A 149 -2.444 15.659 -1.531 1.00 0.63 O ATOM 921 CB ASP A 149 -4.970 17.768 -1.235 1.00 0.58 C ATOM 922 CG ASP A 149 -5.593 17.870 0.158 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.660 16.855 0.832 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.993 18.962 0.528 1.00 1.84 O ATOM 0 H ASP A 149 -3.599 17.954 -3.240 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.107 18.502 -0.354 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.313 18.593 -1.860 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.289 16.846 -1.721 1.00 0.58 H new ATOM 929 N TYR A 150 -2.984 16.101 0.554 1.00 0.58 N ATOM 930 CA TYR A 150 -2.485 14.775 1.022 1.00 0.60 C ATOM 931 C TYR A 150 -3.127 13.650 0.207 1.00 0.59 C ATOM 932 O TYR A 150 -2.453 12.770 -0.291 1.00 0.63 O ATOM 933 CB TYR A 150 -2.914 14.689 2.487 1.00 0.73 C ATOM 934 CG TYR A 150 -2.599 13.314 3.027 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.298 12.805 2.931 1.00 1.22 C ATOM 936 CD2 TYR A 150 -3.607 12.550 3.625 1.00 1.15 C ATOM 937 CE1 TYR A 150 -1.006 11.532 3.435 1.00 1.56 C ATOM 938 CE2 TYR A 150 -3.315 11.276 4.128 1.00 1.43 C ATOM 939 CZ TYR A 150 -2.014 10.768 4.033 1.00 1.48 C ATOM 940 OH TYR A 150 -1.726 9.513 4.530 1.00 1.96 O ATOM 0 H TYR A 150 -3.367 16.701 1.284 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.406 14.673 0.905 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.396 15.448 3.073 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.982 14.890 2.576 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.520 13.394 2.468 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -4.610 12.943 3.699 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -0.002 11.140 3.362 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -4.093 10.686 4.589 1.00 1.43 H new ATOM 0 HH TYR A 150 -2.537 9.119 4.913 1.00 1.96 H new ATOM 950 N ASP A 151 -4.425 13.670 0.065 1.00 0.64 N ATOM 951 CA ASP A 151 -5.102 12.599 -0.721 1.00 0.70 C ATOM 952 C ASP A 151 -4.350 12.361 -2.032 1.00 0.63 C ATOM 953 O ASP A 151 -4.232 11.246 -2.499 1.00 0.77 O ATOM 954 CB ASP A 151 -6.508 13.134 -0.996 1.00 0.79 C ATOM 955 CG ASP A 151 -7.373 12.017 -1.582 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.127 10.868 -1.250 1.00 1.90 O ATOM 957 OD2 ASP A 151 -8.265 12.328 -2.353 1.00 1.83 O ATOM 0 H ASP A 151 -5.044 14.379 0.458 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.129 11.648 -0.190 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.953 13.508 -0.074 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.460 13.973 -1.690 1.00 0.79 H new ATOM 962 N GLU A 152 -3.837 13.404 -2.626 1.00 0.54 N ATOM 963 CA GLU A 152 -3.089 13.239 -3.904 1.00 0.56 C ATOM 964 C GLU A 152 -1.624 12.911 -3.613 1.00 0.52 C ATOM 965 O GLU A 152 -0.991 12.164 -4.332 1.00 0.65 O ATOM 966 CB GLU A 152 -3.208 14.589 -4.612 1.00 0.60 C ATOM 967 CG GLU A 152 -4.684 14.909 -4.852 1.00 0.77 C ATOM 968 CD GLU A 152 -4.840 16.401 -5.149 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.791 17.180 -4.211 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.006 16.740 -6.309 1.00 1.17 O ATOM 0 H GLU A 152 -3.904 14.362 -2.282 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.483 12.426 -4.514 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.749 15.371 -4.007 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.671 14.563 -5.560 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.064 14.319 -5.686 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.273 14.638 -3.976 1.00 0.77 H new ATOM 977 N PHE A 153 -1.081 13.460 -2.560 1.00 0.46 N ATOM 978 CA PHE A 153 0.342 13.171 -2.224 1.00 0.46 C ATOM 979 C PHE A 153 0.591 11.663 -2.284 1.00 0.50 C ATOM 980 O PHE A 153 1.535 11.204 -2.895 1.00 0.64 O ATOM 981 CB PHE A 153 0.531 13.691 -0.798 1.00 0.49 C ATOM 982 CG PHE A 153 1.987 13.580 -0.412 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.964 14.242 -1.166 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.361 12.813 0.698 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.314 14.138 -0.809 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.711 12.710 1.055 1.00 0.61 C ATOM 987 CZ PHE A 153 4.687 13.372 0.301 1.00 0.68 C ATOM 0 H PHE A 153 -1.560 14.094 -1.920 1.00 0.46 H new ATOM 0 HA PHE A 153 1.038 13.641 -2.919 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.204 14.729 -0.731 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.085 13.117 -0.105 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.676 14.833 -2.023 1.00 0.62 H new ATOM 0 HD2 PHE A 153 1.608 12.301 1.279 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.067 14.649 -1.390 1.00 0.73 H new ATOM 0 HE2 PHE A 153 3.999 12.120 1.912 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.728 13.292 0.576 1.00 0.68 H new ATOM 997 N LEU A 154 -0.254 10.888 -1.661 1.00 0.53 N ATOM 998 CA LEU A 154 -0.067 9.411 -1.694 1.00 0.62 C ATOM 999 C LEU A 154 -0.033 8.931 -3.145 1.00 0.65 C ATOM 1000 O LEU A 154 0.883 8.252 -3.564 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.281 8.836 -0.961 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.383 9.457 0.434 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.354 8.636 1.285 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.004 9.458 1.098 1.00 1.20 C ATOM 0 H LEU A 154 -1.063 11.213 -1.132 1.00 0.53 H new ATOM 0 HA LEU A 154 0.867 9.096 -1.228 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.190 9.039 -1.527 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.190 7.753 -0.882 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.745 10.481 0.349 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -2.428 9.076 2.279 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -3.337 8.634 0.815 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.989 7.612 1.368 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.079 9.901 2.091 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.359 8.434 1.183 1.00 1.20 H new ATOM 0 HD23 LEU A 154 0.691 10.040 0.493 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.021 9.288 -3.920 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.036 8.861 -5.347 1.00 0.81 C ATOM 1018 C GLU A 155 0.326 9.148 -5.982 1.00 0.76 C ATOM 1019 O GLU A 155 0.797 8.414 -6.828 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.127 9.708 -6.003 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.484 9.028 -5.818 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.944 8.438 -7.152 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.122 7.842 -7.828 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -5.110 8.592 -7.475 1.00 2.57 O ATOM 0 H GLU A 155 -1.816 9.856 -3.627 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.230 7.795 -5.465 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.144 10.704 -5.560 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.914 9.835 -7.064 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.409 8.242 -5.067 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.217 9.748 -5.454 1.00 1.41 H new ATOM 1031 N PHE A 156 0.965 10.210 -5.572 1.00 0.66 N ATOM 1032 CA PHE A 156 2.300 10.545 -6.142 1.00 0.77 C ATOM 1033 C PHE A 156 3.363 9.611 -5.558 1.00 0.71 C ATOM 1034 O PHE A 156 4.126 8.995 -6.276 1.00 0.88 O ATOM 1035 CB PHE A 156 2.562 11.989 -5.713 1.00 0.84 C ATOM 1036 CG PHE A 156 3.957 12.393 -6.128 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.231 12.687 -7.469 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.976 12.474 -5.171 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.524 13.061 -7.853 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.269 12.848 -5.555 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.543 13.142 -6.896 1.00 1.53 C ATOM 0 H PHE A 156 0.619 10.860 -4.866 1.00 0.66 H new ATOM 0 HA PHE A 156 2.331 10.432 -7.226 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.829 12.654 -6.169 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.450 12.085 -4.633 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.445 12.625 -8.207 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.764 12.248 -4.136 1.00 1.49 H new ATOM 0 HE1 PHE A 156 5.736 13.287 -8.888 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.055 12.910 -4.817 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.540 13.431 -7.192 1.00 1.53 H new ATOM 1051 N MET A 157 3.414 9.499 -4.259 1.00 0.61 N ATOM 1052 CA MET A 157 4.423 8.603 -3.625 1.00 0.69 C ATOM 1053 C MET A 157 4.122 7.143 -3.973 1.00 0.83 C ATOM 1054 O MET A 157 4.947 6.269 -3.794 1.00 1.17 O ATOM 1055 CB MET A 157 4.269 8.838 -2.122 1.00 0.84 C ATOM 1056 CG MET A 157 4.331 10.338 -1.830 1.00 0.92 C ATOM 1057 SD MET A 157 5.692 10.674 -0.685 1.00 1.56 S ATOM 1058 CE MET A 157 7.006 9.909 -1.665 1.00 0.90 C ATOM 0 H MET A 157 2.800 9.989 -3.609 1.00 0.61 H new ATOM 0 HA MET A 157 5.436 8.810 -3.969 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.321 8.428 -1.775 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.059 8.318 -1.579 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.475 10.894 -2.756 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.388 10.675 -1.400 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.959 10.383 -1.429 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.062 8.846 -1.432 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.790 10.037 -2.726 1.00 0.90 H new ATOM 1068 N LYS A 158 2.944 6.873 -4.467 1.00 0.86 N ATOM 1069 CA LYS A 158 2.586 5.471 -4.826 1.00 1.07 C ATOM 1070 C LYS A 158 3.072 5.148 -6.241 1.00 1.36 C ATOM 1071 O LYS A 158 2.994 4.022 -6.693 1.00 1.73 O ATOM 1072 CB LYS A 158 1.059 5.426 -4.759 1.00 1.28 C ATOM 1073 CG LYS A 158 0.565 4.057 -5.231 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.551 3.569 -4.305 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.442 2.577 -5.056 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.093 1.245 -4.490 1.00 3.52 N ATOM 0 H LYS A 158 2.213 7.564 -4.638 1.00 0.86 H new ATOM 0 HA LYS A 158 3.046 4.741 -4.159 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.724 5.613 -3.739 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.634 6.212 -5.383 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.198 4.124 -6.255 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.388 3.343 -5.233 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.123 3.094 -3.422 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.144 4.414 -3.956 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -2.498 2.804 -4.909 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.255 2.612 -6.129 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.663 0.510 -4.955 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.084 1.053 -4.651 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.288 1.240 -3.468 1.00 3.52 H new ATOM 1090 N GLY A 159 3.573 6.127 -6.942 1.00 1.73 N ATOM 1091 CA GLY A 159 4.064 5.878 -8.326 1.00 2.35 C ATOM 1092 C GLY A 159 5.426 6.547 -8.512 1.00 2.13 C ATOM 1093 O GLY A 159 5.706 7.133 -9.539 1.00 2.59 O ATOM 0 H GLY A 159 3.664 7.089 -6.616 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.146 4.806 -8.507 1.00 2.35 H new ATOM 0 HA3 GLY A 159 3.352 6.270 -9.052 1.00 2.35 H new ATOM 1097 N VAL A 160 6.277 6.464 -7.526 1.00 1.87 N ATOM 1098 CA VAL A 160 7.622 7.096 -7.647 1.00 1.87 C ATOM 1099 C VAL A 160 8.713 6.092 -7.268 1.00 2.39 C ATOM 1100 O VAL A 160 9.257 6.131 -6.182 1.00 3.11 O ATOM 1101 CB VAL A 160 7.607 8.263 -6.659 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.714 9.381 -7.201 1.00 1.89 C ATOM 1103 CG2 VAL A 160 7.062 7.786 -5.312 1.00 1.76 C ATOM 0 H VAL A 160 6.100 5.986 -6.642 1.00 1.87 H new ATOM 0 HA VAL A 160 7.830 7.427 -8.665 1.00 1.87 H new ATOM 0 HB VAL A 160 8.622 8.639 -6.529 1.00 1.68 H new ATOM 0 HG11 VAL A 160 6.704 10.212 -6.496 1.00 1.89 H new ATOM 0 HG12 VAL A 160 7.102 9.723 -8.161 1.00 1.89 H new ATOM 0 HG13 VAL A 160 5.700 9.005 -7.333 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.052 8.618 -4.608 1.00 1.76 H new ATOM 0 HG22 VAL A 160 6.048 7.409 -5.443 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.698 6.990 -4.923 1.00 1.76 H new ATOM 1113 N GLU A 161 9.037 5.191 -8.155 1.00 2.52 N ATOM 1114 CA GLU A 161 10.093 4.186 -7.843 1.00 3.28 C ATOM 1115 C GLU A 161 11.453 4.873 -7.698 1.00 3.90 C ATOM 1116 O GLU A 161 12.222 4.829 -8.644 1.00 4.34 O ATOM 1117 CB GLU A 161 10.098 3.233 -9.039 1.00 3.49 C ATOM 1118 CG GLU A 161 10.980 2.024 -8.724 1.00 4.11 C ATOM 1119 CD GLU A 161 10.148 0.957 -8.011 1.00 4.29 C ATOM 1120 OE1 GLU A 161 9.110 0.593 -8.538 1.00 4.56 O ATOM 1121 OE2 GLU A 161 10.564 0.521 -6.950 1.00 4.60 O ATOM 1122 OXT GLU A 161 11.703 5.430 -6.641 1.00 4.37 O ATOM 0 H GLU A 161 8.617 5.107 -9.081 1.00 2.52 H new ATOM 0 HA GLU A 161 9.901 3.664 -6.906 1.00 3.28 H new ATOM 0 HB2 GLU A 161 9.082 2.907 -9.262 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.470 3.747 -9.925 1.00 3.49 H new ATOM 0 HG2 GLU A 161 11.400 1.618 -9.644 1.00 4.11 H new ATOM 0 HG3 GLU A 161 11.819 2.326 -8.096 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 3.533 25.453 -0.056 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.603 19.196 -5.718 1.00 0.75 CA HETATM 1132 O1 KDH A 1 9.386 10.425 -9.543 1.00 2.83 O HETATM 1133 C3 KDH A 1 10.322 10.204 -8.579 1.00 2.40 C HETATM 1134 C6 KDH A 1 11.579 9.609 -8.948 1.00 3.09 C HETATM 1135 O7 KDH A 1 11.797 9.239 -10.247 1.00 4.04 O HETATM 1136 C9 KDH A 1 12.618 9.397 -7.964 1.00 2.99 C HETATM 1137 O10 KDH A 1 13.808 8.862 -8.361 1.00 3.91 O HETATM 1138 C12 KDH A 1 12.381 9.755 -6.585 1.00 2.07 C HETATM 1139 C14 KDH A 1 11.123 10.369 -6.209 1.00 1.26 C HETATM 1140 C15 KDH A 1 10.963 10.777 -4.870 1.00 0.94 C HETATM 1141 C20 KDH A 1 12.200 10.764 -2.673 1.00 2.17 C HETATM 1142 C21 KDH A 1 13.009 10.052 -1.713 1.00 3.11 C HETATM 1143 C24 KDH A 1 13.392 10.702 -0.490 1.00 3.89 C HETATM 1144 C26 KDH A 1 12.900 12.014 -0.165 1.00 3.84 C HETATM 1145 C29 KDH A 1 12.052 12.714 -1.108 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.636 12.067 -2.329 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.834 12.325 -4.716 1.00 0.94 C HETATM 1148 C36 KDH A 1 11.840 13.386 -6.606 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.248 14.626 -6.827 1.00 1.49 C HETATM 1150 C39 KDH A 1 9.864 14.686 -7.256 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.011 15.835 -6.639 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.675 12.673 -3.204 1.00 1.46 C HETATM 1153 O01 KDH A 1 11.975 10.209 -3.929 1.00 1.58 O HETATM 1154 O02 KDH A 1 14.236 10.069 0.377 1.00 4.80 O HETATM 1155 O03 KDH A 1 11.649 13.987 -0.838 1.00 3.24 O HETATM 1156 C4 KDH A 1 10.073 10.556 -7.201 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.965 13.027 -5.290 1.00 1.29 O HETATM 1158 O37 KDH A 1 12.213 12.688 -7.556 1.00 2.52 O HETATM 1159 C43 KDH A 1 11.437 17.104 -7.005 1.00 2.26 C HETATM 1160 O44 KDH A 1 12.143 18.272 -6.879 1.00 3.22 O HETATM 1161 C46 KDH A 1 10.087 17.161 -7.516 1.00 2.00 C HETATM 1162 O47 KDH A 1 9.555 18.353 -7.907 1.00 2.49 O HETATM 1163 C49 KDH A 1 9.287 15.955 -7.621 1.00 2.11 C HETATM 1164 O50 KDH A 1 7.999 16.056 -8.066 1.00 3.03 O HETATM 0 HO50 KDH A 1 7.489 15.273 -7.771 1.00 3.03 H new HETATM 0 HO47 KDH A 1 9.309 18.306 -8.854 1.00 2.49 H new HETATM 0 HO44 KDH A 1 12.385 18.606 -7.768 1.00 3.22 H new HETATM 0 HO10 KDH A 1 14.405 8.782 -7.588 1.00 3.91 H new HETATM 0 HO03 KDH A 1 10.670 14.019 -0.801 1.00 3.24 H new HETATM 0 HO02 KDH A 1 14.765 10.735 0.863 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.677 12.374 -2.883 1.00 1.46 H new HETATM 0 HO7 KDH A 1 12.700 8.867 -10.334 1.00 4.04 H new HETATM 0 HO1 KDH A 1 9.713 10.083 -10.401 1.00 2.83 H new HETATM 0 H41 KDH A 1 13.017 15.789 -6.222 1.00 2.05 H new HETATM 0 H4 KDH A 1 9.105 10.959 -6.905 1.00 1.50 H new HETATM 0 H39 KDH A 1 9.264 13.777 -7.302 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.953 12.654 -5.266 1.00 0.94 H new HETATM 0 H26 KDH A 1 13.164 12.479 0.785 1.00 3.84 H new HETATM 0 H21 KDH A 1 13.327 9.029 -1.914 1.00 3.11 H new HETATM 0 H15 KDH A 1 10.009 10.343 -4.571 1.00 0.94 H new HETATM 0 H12 KDH A 1 13.144 9.564 -5.831 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.736 13.755 -3.089 1.00 1.46 H new