USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 92 THR OG1 : rot -12:sc= 0.658 USER MOD Single : A 93 ASN : amide:sc= -1.06! K(o=-1.1!,f=-2.1) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -0.781! (180deg=-1.6!) USER MOD Single : A 103 CYS SG : rot 131:sc= -7.76! USER MOD Single : A 104 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 174:sc= -3.8! USER MOD Single : A 112 GLN : amide:sc= -6.88! C(o=-6.9!,f=-9.9!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN :FLIP amide:sc= -0.357 F(o=-5.4!,f=-0.36) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 146 MET CE :methyl -136:sc= -0.325 (180deg=-1.06) USER MOD Single : A 149 SER OG : rot -110:sc= 2.2 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 153 LYS NZ :NH3+ 153:sc= -0.865 (180deg=-2.06!) USER MOD Single : A 156 SER OG : rot 43:sc= 1.73 USER MOD Single : A 159 SER OG : rot 180:sc= -0.169 USER MOD Single : A 165 SER OG : rot -78:sc= 0.523 USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 92 13.853 5.233 6.367 1.00 8.03 N ATOM 2 CA THR A 92 12.935 4.136 5.989 1.00 7.46 C ATOM 3 C THR A 92 12.911 3.921 4.476 1.00 6.63 C ATOM 4 O THR A 92 11.882 3.563 3.907 1.00 6.72 O ATOM 5 CB THR A 92 11.512 4.414 6.503 1.00 8.01 C ATOM 6 OG1 THR A 92 11.305 5.829 6.628 1.00 8.47 O ATOM 7 CG2 THR A 92 11.283 3.735 7.843 1.00 8.43 C ATOM 0 HA THR A 92 13.309 3.225 6.456 1.00 7.46 H new ATOM 0 HB THR A 92 10.799 4.009 5.785 1.00 8.01 H new ATOM 0 HG1 THR A 92 12.163 6.294 6.543 1.00 8.47 H new ATOM 0 HG21 THR A 92 10.271 3.944 8.189 1.00 8.43 H new ATOM 0 HG22 THR A 92 11.413 2.658 7.732 1.00 8.43 H new ATOM 0 HG23 THR A 92 12.001 4.114 8.571 1.00 8.43 H new ATOM 15 N ASN A 93 14.065 4.142 3.843 1.00 6.15 N ATOM 16 CA ASN A 93 14.256 3.892 2.414 1.00 5.66 C ATOM 17 C ASN A 93 13.216 4.618 1.558 1.00 4.78 C ATOM 18 O ASN A 93 12.631 4.045 0.639 1.00 4.22 O ATOM 19 CB ASN A 93 14.227 2.391 2.125 1.00 6.22 C ATOM 20 CG ASN A 93 15.125 2.017 0.963 1.00 6.86 C ATOM 21 OD1 ASN A 93 15.373 2.821 0.063 1.00 7.24 O ATOM 22 ND2 ASN A 93 15.631 0.794 0.978 1.00 7.30 N ATOM 0 H ASN A 93 14.897 4.501 4.310 1.00 6.15 H new ATOM 0 HA ASN A 93 15.235 4.289 2.145 1.00 5.66 H new ATOM 0 HB2 ASN A 93 14.540 1.845 3.015 1.00 6.22 H new ATOM 0 HB3 ASN A 93 13.204 2.084 1.906 1.00 6.22 H new ATOM 0 HD21 ASN A 93 16.250 0.489 0.227 1.00 7.30 H new ATOM 0 HD22 ASN A 93 15.402 0.157 1.741 1.00 7.30 H new ATOM 29 N LYS A 94 13.007 5.896 1.851 1.00 4.91 N ATOM 30 CA LYS A 94 12.099 6.721 1.062 1.00 4.46 C ATOM 31 C LYS A 94 12.744 7.137 -0.241 1.00 4.06 C ATOM 32 O LYS A 94 12.137 7.814 -1.073 1.00 3.98 O ATOM 33 CB LYS A 94 11.625 7.946 1.837 1.00 5.23 C ATOM 34 CG LYS A 94 10.634 7.615 2.936 1.00 5.95 C ATOM 35 CD LYS A 94 9.740 8.802 3.244 1.00 6.84 C ATOM 36 CE LYS A 94 8.991 9.267 2.001 1.00 7.32 C ATOM 37 NZ LYS A 94 8.169 8.178 1.404 1.00 7.57 N ATOM 0 H LYS A 94 13.453 6.383 2.628 1.00 4.91 H new ATOM 0 HA LYS A 94 11.223 6.112 0.839 1.00 4.46 H new ATOM 0 HB2 LYS A 94 12.489 8.447 2.275 1.00 5.23 H new ATOM 0 HB3 LYS A 94 11.166 8.651 1.144 1.00 5.23 H new ATOM 0 HG2 LYS A 94 10.023 6.765 2.634 1.00 5.95 H new ATOM 0 HG3 LYS A 94 11.171 7.318 3.837 1.00 5.95 H new ATOM 0 HD2 LYS A 94 9.026 8.530 4.021 1.00 6.84 H new ATOM 0 HD3 LYS A 94 10.342 9.622 3.637 1.00 6.84 H new ATOM 0 HE2 LYS A 94 8.347 10.107 2.259 1.00 7.32 H new ATOM 0 HE3 LYS A 94 9.705 9.629 1.262 1.00 7.32 H new ATOM 0 HZ1 LYS A 94 7.537 8.577 0.681 1.00 7.57 H new ATOM 0 HZ2 LYS A 94 8.794 7.471 0.966 1.00 7.57 H new ATOM 0 HZ3 LYS A 94 7.601 7.724 2.148 1.00 7.57 H new ATOM 51 N ARG A 95 13.995 6.742 -0.379 1.00 4.14 N ATOM 52 CA ARG A 95 14.780 6.946 -1.585 1.00 3.96 C ATOM 53 C ARG A 95 14.139 6.283 -2.807 1.00 2.94 C ATOM 54 O ARG A 95 14.650 6.376 -3.924 1.00 3.14 O ATOM 55 CB ARG A 95 16.155 6.342 -1.358 1.00 4.66 C ATOM 56 CG ARG A 95 16.918 6.949 -0.203 1.00 5.41 C ATOM 57 CD ARG A 95 18.240 6.231 0.022 1.00 5.88 C ATOM 58 NE ARG A 95 18.065 4.777 0.100 1.00 6.06 N ATOM 59 CZ ARG A 95 18.533 4.014 1.093 1.00 6.59 C ATOM 60 NH1 ARG A 95 19.206 4.554 2.102 1.00 6.97 N ATOM 61 NH2 ARG A 95 18.334 2.701 1.074 1.00 7.04 N ATOM 0 H ARG A 95 14.507 6.259 0.360 1.00 4.14 H new ATOM 0 HA ARG A 95 14.839 8.016 -1.784 1.00 3.96 H new ATOM 0 HB2 ARG A 95 16.044 5.272 -1.183 1.00 4.66 H new ATOM 0 HB3 ARG A 95 16.744 6.457 -2.268 1.00 4.66 H new ATOM 0 HG2 ARG A 95 17.104 8.005 -0.401 1.00 5.41 H new ATOM 0 HG3 ARG A 95 16.314 6.896 0.703 1.00 5.41 H new ATOM 0 HD2 ARG A 95 18.927 6.471 -0.790 1.00 5.88 H new ATOM 0 HD3 ARG A 95 18.697 6.592 0.943 1.00 5.88 H new ATOM 0 HE ARG A 95 17.553 4.318 -0.653 1.00 6.06 H new ATOM 0 HH11 ARG A 95 19.370 5.560 2.125 1.00 6.97 H new ATOM 0 HH12 ARG A 95 19.559 3.962 2.854 1.00 6.97 H new ATOM 0 HH21 ARG A 95 17.824 2.274 0.301 1.00 7.04 H new ATOM 0 HH22 ARG A 95 18.692 2.120 1.832 1.00 7.04 H new ATOM 75 N GLY A 96 13.041 5.593 -2.574 1.00 2.26 N ATOM 76 CA GLY A 96 12.335 4.905 -3.632 1.00 1.52 C ATOM 77 C GLY A 96 11.505 5.831 -4.494 1.00 1.24 C ATOM 78 O GLY A 96 12.033 6.746 -5.128 1.00 1.45 O ATOM 0 H GLY A 96 12.616 5.494 -1.652 1.00 2.26 H new ATOM 0 HA2 GLY A 96 13.056 4.382 -4.261 1.00 1.52 H new ATOM 0 HA3 GLY A 96 11.685 4.147 -3.194 1.00 1.52 H new ATOM 82 N GLU A 97 10.196 5.612 -4.519 1.00 0.95 N ATOM 83 CA GLU A 97 9.343 6.361 -5.438 1.00 0.95 C ATOM 84 C GLU A 97 8.739 7.610 -4.793 1.00 1.03 C ATOM 85 O GLU A 97 7.839 8.229 -5.363 1.00 1.23 O ATOM 86 CB GLU A 97 8.236 5.488 -6.041 1.00 1.06 C ATOM 87 CG GLU A 97 8.707 4.527 -7.129 1.00 1.81 C ATOM 88 CD GLU A 97 9.868 3.649 -6.703 1.00 2.46 C ATOM 89 OE1 GLU A 97 9.682 2.791 -5.815 1.00 2.85 O ATOM 90 OE2 GLU A 97 10.972 3.813 -7.266 1.00 3.13 O ATOM 0 H GLU A 97 9.709 4.938 -3.928 1.00 0.95 H new ATOM 0 HA GLU A 97 9.998 6.688 -6.246 1.00 0.95 H new ATOM 0 HB2 GLU A 97 7.770 4.911 -5.242 1.00 1.06 H new ATOM 0 HB3 GLU A 97 7.465 6.137 -6.457 1.00 1.06 H new ATOM 0 HG2 GLU A 97 7.873 3.892 -7.427 1.00 1.81 H new ATOM 0 HG3 GLU A 97 9.000 5.102 -8.008 1.00 1.81 H new ATOM 97 N ARG A 98 9.244 7.969 -3.613 1.00 1.10 N ATOM 98 CA ARG A 98 8.848 9.197 -2.917 1.00 1.35 C ATOM 99 C ARG A 98 7.404 9.148 -2.414 1.00 1.27 C ATOM 100 O ARG A 98 7.169 8.836 -1.243 1.00 1.93 O ATOM 101 CB ARG A 98 9.059 10.429 -3.807 1.00 1.67 C ATOM 102 CG ARG A 98 10.519 10.725 -4.107 1.00 2.05 C ATOM 103 CD ARG A 98 11.304 10.965 -2.830 1.00 2.48 C ATOM 104 NE ARG A 98 12.700 11.295 -3.092 1.00 3.00 N ATOM 105 CZ ARG A 98 13.655 11.252 -2.168 1.00 3.77 C ATOM 106 NH1 ARG A 98 13.368 10.883 -0.924 1.00 4.12 N ATOM 107 NH2 ARG A 98 14.896 11.585 -2.488 1.00 4.59 N ATOM 0 H ARG A 98 9.940 7.418 -3.111 1.00 1.10 H new ATOM 0 HA ARG A 98 9.494 9.277 -2.043 1.00 1.35 H new ATOM 0 HB2 ARG A 98 8.527 10.282 -4.747 1.00 1.67 H new ATOM 0 HB3 ARG A 98 8.614 11.297 -3.321 1.00 1.67 H new ATOM 0 HG2 ARG A 98 10.957 9.891 -4.655 1.00 2.05 H new ATOM 0 HG3 ARG A 98 10.590 11.602 -4.751 1.00 2.05 H new ATOM 0 HD2 ARG A 98 10.841 11.776 -2.268 1.00 2.48 H new ATOM 0 HD3 ARG A 98 11.255 10.075 -2.203 1.00 2.48 H new ATOM 0 HE ARG A 98 12.959 11.575 -4.038 1.00 3.00 H new ATOM 0 HH11 ARG A 98 12.412 10.631 -0.675 1.00 4.12 H new ATOM 0 HH12 ARG A 98 14.104 10.852 -0.219 1.00 4.12 H new ATOM 0 HH21 ARG A 98 15.117 11.873 -3.441 1.00 4.59 H new ATOM 0 HH22 ARG A 98 15.631 11.553 -1.781 1.00 4.59 H new ATOM 121 N ARG A 99 6.448 9.461 -3.288 1.00 0.83 N ATOM 122 CA ARG A 99 5.050 9.475 -2.909 1.00 0.74 C ATOM 123 C ARG A 99 4.300 8.284 -3.477 1.00 0.61 C ATOM 124 O ARG A 99 4.227 7.244 -2.841 1.00 0.81 O ATOM 125 CB ARG A 99 4.368 10.782 -3.311 1.00 0.82 C ATOM 126 CG ARG A 99 4.668 11.933 -2.365 1.00 1.25 C ATOM 127 CD ARG A 99 3.715 13.096 -2.586 1.00 1.93 C ATOM 128 NE ARG A 99 2.318 12.699 -2.404 1.00 2.44 N ATOM 129 CZ ARG A 99 1.359 13.505 -1.948 1.00 3.38 C ATOM 130 NH1 ARG A 99 1.649 14.745 -1.576 1.00 3.93 N ATOM 131 NH2 ARG A 99 0.113 13.060 -1.839 1.00 4.16 N ATOM 0 H ARG A 99 6.624 9.707 -4.262 1.00 0.83 H new ATOM 0 HA ARG A 99 5.020 9.401 -1.822 1.00 0.74 H new ATOM 0 HB2 ARG A 99 4.686 11.055 -4.317 1.00 0.82 H new ATOM 0 HB3 ARG A 99 3.290 10.624 -3.350 1.00 0.82 H new ATOM 0 HG2 ARG A 99 4.590 11.588 -1.334 1.00 1.25 H new ATOM 0 HG3 ARG A 99 5.694 12.269 -2.512 1.00 1.25 H new ATOM 0 HD2 ARG A 99 3.957 13.901 -1.892 1.00 1.93 H new ATOM 0 HD3 ARG A 99 3.852 13.491 -3.593 1.00 1.93 H new ATOM 0 HE ARG A 99 2.061 11.741 -2.642 1.00 2.44 H new ATOM 0 HH11 ARG A 99 2.609 15.085 -1.638 1.00 3.93 H new ATOM 0 HH12 ARG A 99 0.912 15.358 -1.228 1.00 3.93 H new ATOM 0 HH21 ARG A 99 -0.111 12.101 -2.104 1.00 4.16 H new ATOM 0 HH22 ARG A 99 -0.620 13.677 -1.490 1.00 4.16 H new ATOM 145 N ARG A 100 3.791 8.400 -4.690 1.00 0.49 N ATOM 146 CA ARG A 100 2.977 7.333 -5.237 1.00 0.40 C ATOM 147 C ARG A 100 3.834 6.115 -5.511 1.00 0.30 C ATOM 148 O ARG A 100 4.695 6.123 -6.393 1.00 0.38 O ATOM 149 CB ARG A 100 2.273 7.752 -6.530 1.00 0.52 C ATOM 150 CG ARG A 100 0.949 8.457 -6.314 1.00 1.30 C ATOM 151 CD ARG A 100 0.257 8.750 -7.637 1.00 1.78 C ATOM 152 NE ARG A 100 -0.030 7.526 -8.400 1.00 2.38 N ATOM 153 CZ ARG A 100 -1.021 7.414 -9.289 1.00 3.05 C ATOM 154 NH1 ARG A 100 -1.813 8.449 -9.539 1.00 3.22 N ATOM 155 NH2 ARG A 100 -1.216 6.267 -9.938 1.00 3.96 N ATOM 0 H ARG A 100 3.923 9.204 -5.303 1.00 0.49 H new ATOM 0 HA ARG A 100 2.213 7.098 -4.496 1.00 0.40 H new ATOM 0 HB2 ARG A 100 2.934 8.409 -7.094 1.00 0.52 H new ATOM 0 HB3 ARG A 100 2.105 6.866 -7.143 1.00 0.52 H new ATOM 0 HG2 ARG A 100 0.302 7.838 -5.692 1.00 1.30 H new ATOM 0 HG3 ARG A 100 1.115 9.389 -5.773 1.00 1.30 H new ATOM 0 HD2 ARG A 100 -0.674 9.284 -7.447 1.00 1.78 H new ATOM 0 HD3 ARG A 100 0.886 9.409 -8.235 1.00 1.78 H new ATOM 0 HE ARG A 100 0.564 6.712 -8.241 1.00 2.38 H new ATOM 0 HH11 ARG A 100 -1.666 9.333 -9.052 1.00 3.22 H new ATOM 0 HH12 ARG A 100 -2.569 8.360 -10.218 1.00 3.22 H new ATOM 0 HH21 ARG A 100 -0.607 5.469 -9.757 1.00 3.96 H new ATOM 0 HH22 ARG A 100 -1.974 6.187 -10.616 1.00 3.96 H new ATOM 169 N ARG A 101 3.581 5.066 -4.753 1.00 0.22 N ATOM 170 CA ARG A 101 4.342 3.858 -4.873 1.00 0.20 C ATOM 171 C ARG A 101 3.411 2.680 -4.974 1.00 0.14 C ATOM 172 O ARG A 101 2.462 2.582 -4.211 1.00 0.13 O ATOM 173 CB ARG A 101 5.276 3.687 -3.683 1.00 0.30 C ATOM 174 CG ARG A 101 6.740 3.597 -4.070 1.00 1.04 C ATOM 175 CD ARG A 101 7.338 2.226 -3.807 1.00 1.75 C ATOM 176 NE ARG A 101 6.666 1.148 -4.537 1.00 2.50 N ATOM 177 CZ ARG A 101 7.318 0.206 -5.230 1.00 3.39 C ATOM 178 NH1 ARG A 101 8.615 0.333 -5.466 1.00 3.85 N ATOM 179 NH2 ARG A 101 6.662 -0.838 -5.720 1.00 4.20 N ATOM 0 H ARG A 101 2.847 5.036 -4.045 1.00 0.22 H new ATOM 0 HA ARG A 101 4.949 3.917 -5.776 1.00 0.20 H new ATOM 0 HB2 ARG A 101 5.140 4.526 -3.001 1.00 0.30 H new ATOM 0 HB3 ARG A 101 4.996 2.785 -3.139 1.00 0.30 H new ATOM 0 HG2 ARG A 101 6.846 3.837 -5.128 1.00 1.04 H new ATOM 0 HG3 ARG A 101 7.304 4.346 -3.515 1.00 1.04 H new ATOM 0 HD2 ARG A 101 8.393 2.239 -4.083 1.00 1.75 H new ATOM 0 HD3 ARG A 101 7.290 2.016 -2.739 1.00 1.75 H new ATOM 0 HE ARG A 101 5.647 1.113 -4.516 1.00 2.50 H new ATOM 0 HH11 ARG A 101 9.119 1.149 -5.120 1.00 3.85 H new ATOM 0 HH12 ARG A 101 9.110 -0.386 -5.994 1.00 3.85 H new ATOM 0 HH21 ARG A 101 5.657 -0.925 -5.569 1.00 4.20 H new ATOM 0 HH22 ARG A 101 7.163 -1.553 -6.247 1.00 4.20 H new ATOM 193 N ARG A 102 3.729 1.739 -5.827 1.00 0.15 N ATOM 194 CA ARG A 102 2.773 0.697 -6.141 1.00 0.13 C ATOM 195 C ARG A 102 2.973 -0.545 -5.307 1.00 0.13 C ATOM 196 O ARG A 102 4.039 -1.153 -5.310 1.00 0.18 O ATOM 197 CB ARG A 102 2.841 0.275 -7.617 1.00 0.22 C ATOM 198 CG ARG A 102 4.236 -0.101 -8.099 1.00 0.87 C ATOM 199 CD ARG A 102 4.185 -1.211 -9.137 1.00 0.95 C ATOM 200 NE ARG A 102 3.797 -2.493 -8.545 1.00 1.66 N ATOM 201 CZ ARG A 102 3.521 -3.590 -9.250 1.00 2.22 C ATOM 202 NH1 ARG A 102 3.506 -3.550 -10.578 1.00 2.19 N ATOM 203 NH2 ARG A 102 3.237 -4.721 -8.620 1.00 3.32 N ATOM 0 H ARG A 102 4.624 1.669 -6.311 1.00 0.15 H new ATOM 0 HA ARG A 102 1.801 1.136 -5.919 1.00 0.13 H new ATOM 0 HB2 ARG A 102 2.175 -0.574 -7.771 1.00 0.22 H new ATOM 0 HB3 ARG A 102 2.464 1.091 -8.234 1.00 0.22 H new ATOM 0 HG2 ARG A 102 4.724 0.776 -8.525 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.841 -0.422 -7.251 1.00 0.87 H new ATOM 0 HD2 ARG A 102 3.476 -0.943 -9.921 1.00 0.95 H new ATOM 0 HD3 ARG A 102 5.162 -1.310 -9.611 1.00 0.95 H new ATOM 0 HE ARG A 102 3.734 -2.550 -7.529 1.00 1.66 H new ATOM 0 HH11 ARG A 102 3.707 -2.676 -11.064 1.00 2.19 H new ATOM 0 HH12 ARG A 102 3.294 -4.393 -11.111 1.00 2.19 H new ATOM 0 HH21 ARG A 102 3.230 -4.749 -7.600 1.00 3.32 H new ATOM 0 HH22 ARG A 102 3.025 -5.563 -9.155 1.00 3.32 H new ATOM 217 N CYS A 103 1.903 -0.927 -4.652 1.00 0.11 N ATOM 218 CA CYS A 103 1.848 -2.100 -3.829 1.00 0.12 C ATOM 219 C CYS A 103 0.734 -3.019 -4.276 1.00 0.12 C ATOM 220 O CYS A 103 -0.278 -2.565 -4.790 1.00 0.14 O ATOM 221 CB CYS A 103 1.571 -1.669 -2.418 1.00 0.12 C ATOM 222 SG CYS A 103 0.531 -0.197 -2.290 1.00 0.12 S ATOM 0 H CYS A 103 1.023 -0.412 -4.681 1.00 0.11 H new ATOM 0 HA CYS A 103 2.796 -2.633 -3.904 1.00 0.12 H new ATOM 0 HB2 CYS A 103 1.089 -2.489 -1.886 1.00 0.12 H new ATOM 0 HB3 CYS A 103 2.519 -1.477 -1.915 1.00 0.12 H new ATOM 0 HG CYS A 103 -0.428 -0.416 -1.441 1.00 0.12 H new ATOM 228 N GLN A 104 0.906 -4.304 -4.076 1.00 0.14 N ATOM 229 CA GLN A 104 -0.138 -5.237 -4.404 1.00 0.14 C ATOM 230 C GLN A 104 -0.883 -5.651 -3.173 1.00 0.16 C ATOM 231 O GLN A 104 -0.301 -5.917 -2.133 1.00 0.33 O ATOM 232 CB GLN A 104 0.413 -6.435 -5.141 1.00 0.19 C ATOM 233 CG GLN A 104 -0.239 -7.765 -4.773 1.00 0.26 C ATOM 234 CD GLN A 104 0.153 -8.897 -5.704 1.00 0.57 C ATOM 235 OE1 GLN A 104 -0.630 -9.821 -5.931 1.00 1.21 O ATOM 236 NE2 GLN A 104 1.356 -8.838 -6.252 1.00 1.38 N ATOM 0 H GLN A 104 1.753 -4.722 -3.691 1.00 0.14 H new ATOM 0 HA GLN A 104 -0.841 -4.738 -5.071 1.00 0.14 H new ATOM 0 HB2 GLN A 104 0.294 -6.272 -6.212 1.00 0.19 H new ATOM 0 HB3 GLN A 104 1.483 -6.504 -4.946 1.00 0.19 H new ATOM 0 HG2 GLN A 104 0.039 -8.029 -3.753 1.00 0.26 H new ATOM 0 HG3 GLN A 104 -1.323 -7.648 -4.788 1.00 0.26 H new ATOM 0 HE21 GLN A 104 1.976 -8.056 -6.039 1.00 1.38 H new ATOM 0 HE22 GLN A 104 1.664 -9.574 -6.887 1.00 1.38 H new ATOM 245 N VAL A 105 -2.167 -5.695 -3.276 1.00 0.08 N ATOM 246 CA VAL A 105 -2.950 -6.054 -2.150 1.00 0.09 C ATOM 247 C VAL A 105 -3.453 -7.474 -2.239 1.00 0.16 C ATOM 248 O VAL A 105 -3.793 -7.976 -3.301 1.00 0.37 O ATOM 249 CB VAL A 105 -4.109 -5.095 -1.969 1.00 0.08 C ATOM 250 CG1 VAL A 105 -4.918 -5.027 -3.215 1.00 0.13 C ATOM 251 CG2 VAL A 105 -4.957 -5.508 -0.774 1.00 0.11 C ATOM 0 H VAL A 105 -2.693 -5.488 -4.125 1.00 0.08 H new ATOM 0 HA VAL A 105 -2.301 -5.989 -1.277 1.00 0.09 H new ATOM 0 HB VAL A 105 -3.718 -4.097 -1.769 1.00 0.08 H new ATOM 0 HG11 VAL A 105 -5.748 -4.335 -3.073 1.00 0.13 H new ATOM 0 HG12 VAL A 105 -4.292 -4.679 -4.037 1.00 0.13 H new ATOM 0 HG13 VAL A 105 -5.308 -6.017 -3.450 1.00 0.13 H new ATOM 0 HG21 VAL A 105 -5.786 -4.809 -0.657 1.00 0.11 H new ATOM 0 HG22 VAL A 105 -5.349 -6.512 -0.936 1.00 0.11 H new ATOM 0 HG23 VAL A 105 -4.344 -5.499 0.128 1.00 0.11 H new ATOM 261 N ALA A 106 -3.448 -8.088 -1.090 1.00 0.11 N ATOM 262 CA ALA A 106 -4.022 -9.351 -0.825 1.00 0.17 C ATOM 263 C ALA A 106 -5.413 -9.129 -0.312 1.00 0.35 C ATOM 264 O ALA A 106 -5.936 -8.027 -0.314 1.00 0.99 O ATOM 265 CB ALA A 106 -3.175 -10.213 0.096 1.00 0.55 C ATOM 0 H ALA A 106 -3.009 -7.680 -0.265 1.00 0.11 H new ATOM 0 HA ALA A 106 -4.066 -9.928 -1.749 1.00 0.17 H new ATOM 0 HB1 ALA A 106 -3.673 -11.169 0.259 1.00 0.55 H new ATOM 0 HB2 ALA A 106 -2.200 -10.384 -0.361 1.00 0.55 H new ATOM 0 HB3 ALA A 106 -3.044 -9.705 1.051 1.00 0.55 H new ATOM 271 N PHE A 107 -5.991 -10.164 0.131 1.00 0.27 N ATOM 272 CA PHE A 107 -7.295 -10.545 -0.282 1.00 0.33 C ATOM 273 C PHE A 107 -8.385 -9.495 -0.137 1.00 0.24 C ATOM 274 O PHE A 107 -8.852 -9.028 -1.140 1.00 0.46 O ATOM 275 CB PHE A 107 -7.638 -11.653 0.699 1.00 0.48 C ATOM 276 CG PHE A 107 -6.533 -12.655 0.879 1.00 0.63 C ATOM 277 CD1 PHE A 107 -6.455 -13.743 0.022 1.00 0.96 C ATOM 278 CD2 PHE A 107 -5.595 -12.530 1.887 1.00 0.63 C ATOM 279 CE1 PHE A 107 -5.467 -14.686 0.162 1.00 1.29 C ATOM 280 CE2 PHE A 107 -4.593 -13.476 2.034 1.00 0.90 C ATOM 281 CZ PHE A 107 -4.454 -14.456 1.252 1.00 1.19 C ATOM 0 H PHE A 107 -5.570 -10.797 0.811 1.00 0.27 H new ATOM 0 HA PHE A 107 -7.270 -10.782 -1.346 1.00 0.33 H new ATOM 0 HB2 PHE A 107 -7.878 -11.210 1.666 1.00 0.48 H new ATOM 0 HB3 PHE A 107 -8.534 -12.169 0.354 1.00 0.48 H new ATOM 0 HD1 PHE A 107 -7.183 -13.850 -0.768 1.00 0.96 H new ATOM 0 HD2 PHE A 107 -5.643 -11.690 2.564 1.00 0.63 H new ATOM 0 HE1 PHE A 107 -5.419 -15.553 -0.480 1.00 1.29 H new ATOM 0 HE2 PHE A 107 -3.900 -13.369 2.855 1.00 0.90 H new ATOM 0 HZ PHE A 107 -3.614 -15.126 1.364 1.00 1.19 H new ATOM 291 N SER A 108 -8.731 -9.033 1.031 1.00 0.11 N ATOM 292 CA SER A 108 -9.820 -8.095 1.097 1.00 0.13 C ATOM 293 C SER A 108 -9.547 -6.849 1.897 1.00 0.14 C ATOM 294 O SER A 108 -9.650 -6.870 3.122 1.00 0.22 O ATOM 295 CB SER A 108 -11.123 -8.754 1.485 1.00 0.18 C ATOM 296 OG SER A 108 -10.925 -9.792 2.432 1.00 1.00 O ATOM 0 H SER A 108 -8.296 -9.277 1.921 1.00 0.11 H new ATOM 0 HA SER A 108 -9.924 -7.736 0.073 1.00 0.13 H new ATOM 0 HB2 SER A 108 -11.799 -8.007 1.900 1.00 0.18 H new ATOM 0 HB3 SER A 108 -11.604 -9.160 0.595 1.00 0.18 H new ATOM 0 HG SER A 108 -11.789 -10.195 2.661 1.00 1.00 H new ATOM 302 N TYR A 109 -9.242 -5.766 1.251 1.00 0.11 N ATOM 303 CA TYR A 109 -9.259 -4.523 1.945 1.00 0.09 C ATOM 304 C TYR A 109 -10.655 -3.932 1.788 1.00 0.11 C ATOM 305 O TYR A 109 -11.028 -3.373 0.763 1.00 0.14 O ATOM 306 CB TYR A 109 -8.183 -3.625 1.370 1.00 0.07 C ATOM 307 CG TYR A 109 -7.759 -2.503 2.264 1.00 0.07 C ATOM 308 CD1 TYR A 109 -7.248 -2.762 3.508 1.00 0.07 C ATOM 309 CD2 TYR A 109 -7.933 -1.185 1.879 1.00 0.07 C ATOM 310 CE1 TYR A 109 -6.922 -1.753 4.357 1.00 0.08 C ATOM 311 CE2 TYR A 109 -7.623 -0.151 2.740 1.00 0.08 C ATOM 312 CZ TYR A 109 -7.119 -0.462 3.994 1.00 0.08 C ATOM 313 OH TYR A 109 -6.865 0.504 4.927 1.00 0.10 O ATOM 0 H TYR A 109 -8.984 -5.719 0.265 1.00 0.11 H new ATOM 0 HA TYR A 109 -9.047 -4.641 3.008 1.00 0.09 H new ATOM 0 HB2 TYR A 109 -7.310 -4.233 1.134 1.00 0.07 H new ATOM 0 HB3 TYR A 109 -8.543 -3.206 0.430 1.00 0.07 H new ATOM 0 HD1 TYR A 109 -7.102 -3.786 3.819 1.00 0.07 H new ATOM 0 HD2 TYR A 109 -8.316 -0.963 0.894 1.00 0.07 H new ATOM 0 HE1 TYR A 109 -6.504 -1.981 5.326 1.00 0.08 H new ATOM 0 HE2 TYR A 109 -7.770 0.877 2.443 1.00 0.08 H new ATOM 0 HH TYR A 109 -6.950 1.388 4.514 1.00 0.10 H new ATOM 323 N LEU A 110 -11.389 -4.149 2.843 1.00 0.14 N ATOM 324 CA LEU A 110 -12.795 -3.730 3.068 1.00 0.18 C ATOM 325 C LEU A 110 -13.080 -2.306 3.655 1.00 0.16 C ATOM 326 O LEU A 110 -14.236 -1.975 3.908 1.00 0.22 O ATOM 327 CB LEU A 110 -13.495 -4.785 3.914 1.00 0.24 C ATOM 328 CG LEU A 110 -12.582 -5.569 4.866 1.00 0.24 C ATOM 329 CD1 LEU A 110 -12.025 -4.670 5.964 1.00 0.27 C ATOM 330 CD2 LEU A 110 -13.326 -6.752 5.468 1.00 0.30 C ATOM 0 H LEU A 110 -11.017 -4.660 3.644 1.00 0.14 H new ATOM 0 HA LEU A 110 -13.192 -3.644 2.056 1.00 0.18 H new ATOM 0 HB2 LEU A 110 -14.274 -4.299 4.501 1.00 0.24 H new ATOM 0 HB3 LEU A 110 -13.991 -5.491 3.248 1.00 0.24 H new ATOM 0 HG LEU A 110 -11.740 -5.947 4.286 1.00 0.24 H new ATOM 0 HD11 LEU A 110 -11.382 -5.255 6.622 1.00 0.27 H new ATOM 0 HD12 LEU A 110 -11.446 -3.863 5.515 1.00 0.27 H new ATOM 0 HD13 LEU A 110 -12.848 -4.249 6.541 1.00 0.27 H new ATOM 0 HD21 LEU A 110 -12.662 -7.296 6.140 1.00 0.30 H new ATOM 0 HD22 LEU A 110 -14.191 -6.392 6.025 1.00 0.30 H new ATOM 0 HD23 LEU A 110 -13.658 -7.417 4.671 1.00 0.30 H new ATOM 342 N PRO A 111 -12.081 -1.450 3.853 1.00 0.12 N ATOM 343 CA PRO A 111 -12.004 -0.480 4.975 1.00 0.23 C ATOM 344 C PRO A 111 -12.772 0.793 4.850 1.00 0.33 C ATOM 345 O PRO A 111 -12.468 1.760 5.551 1.00 0.58 O ATOM 346 CB PRO A 111 -10.547 -0.125 4.965 1.00 0.23 C ATOM 347 CG PRO A 111 -10.294 -0.041 3.523 1.00 0.48 C ATOM 348 CD PRO A 111 -10.993 -1.208 2.918 1.00 0.08 C ATOM 0 HA PRO A 111 -12.431 -0.940 5.866 1.00 0.23 H new ATOM 0 HB2 PRO A 111 -10.348 0.818 5.475 1.00 0.23 H new ATOM 0 HB3 PRO A 111 -9.933 -0.885 5.449 1.00 0.23 H new ATOM 0 HG2 PRO A 111 -10.672 0.896 3.114 1.00 0.48 H new ATOM 0 HG3 PRO A 111 -9.225 -0.073 3.311 1.00 0.48 H new ATOM 0 HD2 PRO A 111 -11.362 -0.985 1.917 1.00 0.08 H new ATOM 0 HD3 PRO A 111 -10.335 -2.073 2.830 1.00 0.08 H new ATOM 356 N GLN A 112 -13.735 0.841 4.012 1.00 0.25 N ATOM 357 CA GLN A 112 -14.218 2.132 3.640 1.00 0.68 C ATOM 358 C GLN A 112 -15.277 2.603 4.599 1.00 0.99 C ATOM 359 O GLN A 112 -16.335 1.991 4.745 1.00 1.08 O ATOM 360 CB GLN A 112 -14.806 2.050 2.293 1.00 0.82 C ATOM 361 CG GLN A 112 -13.786 2.054 1.209 1.00 1.13 C ATOM 362 CD GLN A 112 -13.801 0.774 0.413 1.00 1.28 C ATOM 363 OE1 GLN A 112 -13.640 0.800 -0.801 1.00 1.78 O ATOM 364 NE2 GLN A 112 -13.934 -0.359 1.102 1.00 1.06 N ATOM 0 H GLN A 112 -14.197 0.041 3.579 1.00 0.25 H new ATOM 0 HA GLN A 112 -13.386 2.836 3.659 1.00 0.68 H new ATOM 0 HB2 GLN A 112 -15.403 1.141 2.218 1.00 0.82 H new ATOM 0 HB3 GLN A 112 -15.485 2.890 2.148 1.00 0.82 H new ATOM 0 HG2 GLN A 112 -13.969 2.897 0.543 1.00 1.13 H new ATOM 0 HG3 GLN A 112 -12.797 2.199 1.643 1.00 1.13 H new ATOM 0 HE21 GLN A 112 -14.066 -0.329 2.113 1.00 1.06 H new ATOM 0 HE22 GLN A 112 -13.904 -1.257 0.618 1.00 1.06 H new ATOM 373 N ASN A 113 -14.960 3.692 5.260 1.00 1.79 N ATOM 374 CA ASN A 113 -15.930 4.457 6.003 1.00 2.36 C ATOM 375 C ASN A 113 -16.126 5.849 5.426 1.00 1.79 C ATOM 376 O ASN A 113 -17.249 6.311 5.227 1.00 2.01 O ATOM 377 CB ASN A 113 -15.517 4.567 7.457 1.00 3.46 C ATOM 378 CG ASN A 113 -15.621 3.262 8.191 1.00 4.13 C ATOM 379 OD1 ASN A 113 -16.656 2.921 8.766 1.00 4.82 O ATOM 380 ND2 ASN A 113 -14.539 2.524 8.169 1.00 4.06 N ATOM 0 H ASN A 113 -14.015 4.073 5.297 1.00 1.79 H new ATOM 0 HA ASN A 113 -16.878 3.925 5.928 1.00 2.36 H new ATOM 0 HB2 ASN A 113 -14.490 4.929 7.512 1.00 3.46 H new ATOM 0 HB3 ASN A 113 -16.143 5.309 7.953 1.00 3.46 H new ATOM 0 HD21 ASN A 113 -14.528 1.621 8.643 1.00 4.06 H new ATOM 0 HD22 ASN A 113 -13.707 2.853 7.678 1.00 4.06 H new ATOM 387 N ASP A 114 -15.006 6.505 5.151 1.00 1.46 N ATOM 388 CA ASP A 114 -15.018 7.916 4.793 1.00 1.27 C ATOM 389 C ASP A 114 -14.770 8.155 3.332 1.00 0.89 C ATOM 390 O ASP A 114 -15.415 8.990 2.694 1.00 1.31 O ATOM 391 CB ASP A 114 -13.905 8.604 5.559 1.00 2.06 C ATOM 392 CG ASP A 114 -13.986 10.115 5.502 1.00 2.66 C ATOM 393 OD1 ASP A 114 -15.069 10.664 5.792 1.00 3.13 O ATOM 394 OD2 ASP A 114 -12.979 10.759 5.149 1.00 3.02 O ATOM 0 H ASP A 114 -14.078 6.082 5.169 1.00 1.46 H new ATOM 0 HA ASP A 114 -16.007 8.304 5.035 1.00 1.27 H new ATOM 0 HB2 ASP A 114 -13.938 8.284 6.600 1.00 2.06 H new ATOM 0 HB3 ASP A 114 -12.944 8.283 5.157 1.00 2.06 H new ATOM 399 N ASP A 115 -13.876 7.348 2.824 1.00 0.74 N ATOM 400 CA ASP A 115 -13.348 7.470 1.484 1.00 1.19 C ATOM 401 C ASP A 115 -12.050 6.698 1.375 1.00 0.75 C ATOM 402 O ASP A 115 -10.963 7.275 1.275 1.00 0.66 O ATOM 403 CB ASP A 115 -13.075 8.919 1.169 1.00 2.24 C ATOM 404 CG ASP A 115 -13.282 9.256 -0.295 1.00 3.05 C ATOM 405 OD1 ASP A 115 -12.577 8.680 -1.158 1.00 3.32 O ATOM 406 OD2 ASP A 115 -14.146 10.102 -0.594 1.00 3.73 O ATOM 0 H ASP A 115 -13.482 6.564 3.344 1.00 0.74 H new ATOM 0 HA ASP A 115 -14.080 7.071 0.781 1.00 1.19 H new ATOM 0 HB2 ASP A 115 -13.727 9.546 1.776 1.00 2.24 H new ATOM 0 HB3 ASP A 115 -12.050 9.159 1.450 1.00 2.24 H new ATOM 411 N GLU A 116 -12.168 5.400 1.447 1.00 0.56 N ATOM 412 CA GLU A 116 -11.036 4.529 1.309 1.00 0.31 C ATOM 413 C GLU A 116 -11.218 3.673 0.072 1.00 0.26 C ATOM 414 O GLU A 116 -12.247 3.737 -0.603 1.00 0.46 O ATOM 415 CB GLU A 116 -10.863 3.639 2.547 1.00 0.48 C ATOM 416 CG GLU A 116 -10.551 4.401 3.838 1.00 0.62 C ATOM 417 CD GLU A 116 -11.782 4.884 4.595 1.00 1.28 C ATOM 418 OE1 GLU A 116 -12.857 4.998 3.972 1.00 2.06 O ATOM 419 OE2 GLU A 116 -11.689 5.162 5.805 1.00 1.85 O ATOM 0 H GLU A 116 -13.053 4.918 1.603 1.00 0.56 H new ATOM 0 HA GLU A 116 -10.136 5.137 1.211 1.00 0.31 H new ATOM 0 HB2 GLU A 116 -11.775 3.060 2.693 1.00 0.48 H new ATOM 0 HB3 GLU A 116 -10.060 2.927 2.357 1.00 0.48 H new ATOM 0 HG2 GLU A 116 -9.965 3.757 4.494 1.00 0.62 H new ATOM 0 HG3 GLU A 116 -9.927 5.261 3.596 1.00 0.62 H new ATOM 426 N LEU A 117 -10.191 2.934 -0.246 1.00 0.10 N ATOM 427 CA LEU A 117 -10.184 2.045 -1.348 1.00 0.08 C ATOM 428 C LEU A 117 -10.493 0.637 -0.882 1.00 0.07 C ATOM 429 O LEU A 117 -10.243 0.277 0.267 1.00 0.09 O ATOM 430 CB LEU A 117 -8.828 2.113 -2.061 1.00 0.07 C ATOM 431 CG LEU A 117 -7.641 1.500 -1.358 1.00 0.07 C ATOM 432 CD1 LEU A 117 -6.381 1.786 -2.158 1.00 0.10 C ATOM 433 CD2 LEU A 117 -7.461 1.979 0.068 1.00 0.09 C ATOM 0 H LEU A 117 -9.316 2.943 0.277 1.00 0.10 H new ATOM 0 HA LEU A 117 -10.957 2.339 -2.058 1.00 0.08 H new ATOM 0 HB2 LEU A 117 -8.933 1.627 -3.031 1.00 0.07 H new ATOM 0 HB3 LEU A 117 -8.601 3.162 -2.253 1.00 0.07 H new ATOM 0 HG LEU A 117 -7.831 0.428 -1.298 1.00 0.07 H new ATOM 0 HD11 LEU A 117 -5.522 1.345 -1.653 1.00 0.10 H new ATOM 0 HD12 LEU A 117 -6.477 1.355 -3.155 1.00 0.10 H new ATOM 0 HD13 LEU A 117 -6.239 2.864 -2.241 1.00 0.10 H new ATOM 0 HD21 LEU A 117 -6.589 1.495 0.507 1.00 0.09 H new ATOM 0 HD22 LEU A 117 -7.318 3.060 0.074 1.00 0.09 H new ATOM 0 HD23 LEU A 117 -8.347 1.728 0.651 1.00 0.09 H new ATOM 445 N GLU A 118 -11.032 -0.136 -1.782 1.00 0.08 N ATOM 446 CA GLU A 118 -11.363 -1.498 -1.533 1.00 0.08 C ATOM 447 C GLU A 118 -10.603 -2.351 -2.482 1.00 0.07 C ATOM 448 O GLU A 118 -10.784 -2.293 -3.691 1.00 0.09 O ATOM 449 CB GLU A 118 -12.828 -1.744 -1.749 1.00 0.12 C ATOM 450 CG GLU A 118 -13.287 -3.128 -1.329 1.00 0.20 C ATOM 451 CD GLU A 118 -14.782 -3.324 -1.490 1.00 0.43 C ATOM 452 OE1 GLU A 118 -15.251 -3.477 -2.641 1.00 0.53 O ATOM 453 OE2 GLU A 118 -15.496 -3.327 -0.468 1.00 0.91 O ATOM 0 H GLU A 118 -11.256 0.176 -2.727 1.00 0.08 H new ATOM 0 HA GLU A 118 -11.113 -1.734 -0.499 1.00 0.08 H new ATOM 0 HB2 GLU A 118 -13.397 -0.999 -1.193 1.00 0.12 H new ATOM 0 HB3 GLU A 118 -13.059 -1.600 -2.804 1.00 0.12 H new ATOM 0 HG2 GLU A 118 -12.761 -3.876 -1.922 1.00 0.20 H new ATOM 0 HG3 GLU A 118 -13.013 -3.296 -0.288 1.00 0.20 H new ATOM 460 N LEU A 119 -9.803 -3.154 -1.900 1.00 0.06 N ATOM 461 CA LEU A 119 -8.944 -4.062 -2.615 1.00 0.06 C ATOM 462 C LEU A 119 -9.489 -5.484 -2.447 1.00 0.08 C ATOM 463 O LEU A 119 -9.328 -6.096 -1.397 1.00 0.09 O ATOM 464 CB LEU A 119 -7.539 -3.900 -2.077 1.00 0.05 C ATOM 465 CG LEU A 119 -7.284 -2.588 -1.292 1.00 0.06 C ATOM 466 CD1 LEU A 119 -6.005 -2.655 -0.485 1.00 0.09 C ATOM 467 CD2 LEU A 119 -7.184 -1.424 -2.226 1.00 0.07 C ATOM 0 H LEU A 119 -9.711 -3.214 -0.886 1.00 0.06 H new ATOM 0 HA LEU A 119 -8.918 -3.850 -3.684 1.00 0.06 H new ATOM 0 HB2 LEU A 119 -7.316 -4.745 -1.425 1.00 0.05 H new ATOM 0 HB3 LEU A 119 -6.839 -3.948 -2.911 1.00 0.05 H new ATOM 0 HG LEU A 119 -8.129 -2.461 -0.616 1.00 0.06 H new ATOM 0 HD11 LEU A 119 -5.863 -1.716 0.050 1.00 0.09 H new ATOM 0 HD12 LEU A 119 -6.069 -3.475 0.231 1.00 0.09 H new ATOM 0 HD13 LEU A 119 -5.161 -2.823 -1.154 1.00 0.09 H new ATOM 0 HD21 LEU A 119 -7.005 -0.513 -1.655 1.00 0.07 H new ATOM 0 HD22 LEU A 119 -6.359 -1.585 -2.921 1.00 0.07 H new ATOM 0 HD23 LEU A 119 -8.115 -1.325 -2.785 1.00 0.07 H new ATOM 479 N LYS A 120 -10.173 -5.967 -3.481 1.00 0.10 N ATOM 480 CA LYS A 120 -11.149 -7.060 -3.332 1.00 0.12 C ATOM 481 C LYS A 120 -10.553 -8.453 -3.182 1.00 0.13 C ATOM 482 O LYS A 120 -11.006 -9.203 -2.315 1.00 0.18 O ATOM 483 CB LYS A 120 -12.111 -7.079 -4.524 1.00 0.17 C ATOM 484 CG LYS A 120 -13.169 -5.976 -4.544 1.00 0.20 C ATOM 485 CD LYS A 120 -12.579 -4.573 -4.614 1.00 0.18 C ATOM 486 CE LYS A 120 -11.594 -4.408 -5.766 1.00 0.19 C ATOM 487 NZ LYS A 120 -12.231 -4.565 -7.093 1.00 0.25 N ATOM 0 H LYS A 120 -10.074 -5.622 -4.436 1.00 0.10 H new ATOM 0 HA LYS A 120 -11.660 -6.838 -2.395 1.00 0.12 H new ATOM 0 HB2 LYS A 120 -11.525 -7.011 -5.441 1.00 0.17 H new ATOM 0 HB3 LYS A 120 -12.619 -8.043 -4.541 1.00 0.17 H new ATOM 0 HG2 LYS A 120 -13.826 -6.129 -5.400 1.00 0.20 H new ATOM 0 HG3 LYS A 120 -13.786 -6.058 -3.649 1.00 0.20 H new ATOM 0 HD2 LYS A 120 -13.386 -3.849 -4.724 1.00 0.18 H new ATOM 0 HD3 LYS A 120 -12.075 -4.348 -3.674 1.00 0.18 H new ATOM 0 HE2 LYS A 120 -11.132 -3.423 -5.704 1.00 0.19 H new ATOM 0 HE3 LYS A 120 -10.795 -5.142 -5.663 1.00 0.19 H new ATOM 0 HZ1 LYS A 120 -11.516 -4.443 -7.838 1.00 0.25 H new ATOM 0 HZ2 LYS A 120 -12.650 -5.514 -7.167 1.00 0.25 H new ATOM 0 HZ3 LYS A 120 -12.976 -3.848 -7.208 1.00 0.25 H new ATOM 501 N VAL A 121 -9.652 -8.869 -4.081 1.00 0.13 N ATOM 502 CA VAL A 121 -8.894 -10.088 -3.864 1.00 0.19 C ATOM 503 C VAL A 121 -7.384 -9.923 -4.050 1.00 0.17 C ATOM 504 O VAL A 121 -6.589 -10.725 -3.550 1.00 0.24 O ATOM 505 CB VAL A 121 -9.382 -11.178 -4.817 1.00 0.28 C ATOM 506 CG1 VAL A 121 -8.501 -12.419 -4.724 1.00 0.38 C ATOM 507 CG2 VAL A 121 -10.840 -11.526 -4.549 1.00 0.32 C ATOM 0 H VAL A 121 -9.438 -8.381 -4.951 1.00 0.13 H new ATOM 0 HA VAL A 121 -9.063 -10.361 -2.822 1.00 0.19 H new ATOM 0 HB VAL A 121 -9.311 -10.790 -5.833 1.00 0.28 H new ATOM 0 HG11 VAL A 121 -8.870 -13.180 -5.412 1.00 0.38 H new ATOM 0 HG12 VAL A 121 -7.476 -12.158 -4.987 1.00 0.38 H new ATOM 0 HG13 VAL A 121 -8.526 -12.808 -3.706 1.00 0.38 H new ATOM 0 HG21 VAL A 121 -11.161 -12.304 -5.241 1.00 0.32 H new ATOM 0 HG22 VAL A 121 -10.946 -11.885 -3.525 1.00 0.32 H new ATOM 0 HG23 VAL A 121 -11.457 -10.639 -4.689 1.00 0.32 H new ATOM 517 N GLY A 122 -6.980 -8.853 -4.687 1.00 0.09 N ATOM 518 CA GLY A 122 -5.629 -8.791 -5.195 1.00 0.09 C ATOM 519 C GLY A 122 -5.449 -7.705 -6.208 1.00 0.09 C ATOM 520 O GLY A 122 -5.288 -7.928 -7.407 1.00 0.12 O ATOM 0 H GLY A 122 -7.552 -8.027 -4.865 1.00 0.09 H new ATOM 0 HA2 GLY A 122 -4.939 -8.629 -4.367 1.00 0.09 H new ATOM 0 HA3 GLY A 122 -5.368 -9.749 -5.644 1.00 0.09 H new ATOM 524 N ASP A 123 -5.493 -6.544 -5.677 1.00 0.07 N ATOM 525 CA ASP A 123 -5.454 -5.292 -6.411 1.00 0.07 C ATOM 526 C ASP A 123 -4.057 -4.708 -6.387 1.00 0.07 C ATOM 527 O ASP A 123 -3.239 -5.092 -5.560 1.00 0.08 O ATOM 528 CB ASP A 123 -6.455 -4.322 -5.806 1.00 0.07 C ATOM 529 CG ASP A 123 -7.852 -4.521 -6.362 1.00 0.12 C ATOM 530 OD1 ASP A 123 -8.093 -4.168 -7.535 1.00 0.17 O ATOM 531 OD2 ASP A 123 -8.708 -5.063 -5.634 1.00 0.20 O ATOM 0 H ASP A 123 -5.561 -6.409 -4.668 1.00 0.07 H new ATOM 0 HA ASP A 123 -5.722 -5.475 -7.452 1.00 0.07 H new ATOM 0 HB2 ASP A 123 -6.475 -4.450 -4.724 1.00 0.07 H new ATOM 0 HB3 ASP A 123 -6.131 -3.300 -6.000 1.00 0.07 H new ATOM 536 N ILE A 124 -3.733 -3.849 -7.318 1.00 0.09 N ATOM 537 CA ILE A 124 -2.511 -3.109 -7.197 1.00 0.10 C ATOM 538 C ILE A 124 -2.796 -1.645 -6.951 1.00 0.09 C ATOM 539 O ILE A 124 -3.669 -1.026 -7.561 1.00 0.12 O ATOM 540 CB ILE A 124 -1.583 -3.302 -8.389 1.00 0.16 C ATOM 541 CG1 ILE A 124 -1.083 -4.740 -8.374 1.00 0.17 C ATOM 542 CG2 ILE A 124 -0.412 -2.320 -8.355 1.00 0.27 C ATOM 543 CD1 ILE A 124 -0.083 -5.063 -9.454 1.00 0.23 C ATOM 0 H ILE A 124 -4.287 -3.649 -8.151 1.00 0.09 H new ATOM 0 HA ILE A 124 -1.981 -3.509 -6.332 1.00 0.10 H new ATOM 0 HB ILE A 124 -2.131 -3.104 -9.310 1.00 0.16 H new ATOM 0 HG12 ILE A 124 -0.630 -4.944 -7.404 1.00 0.17 H new ATOM 0 HG13 ILE A 124 -1.937 -5.410 -8.475 1.00 0.17 H new ATOM 0 HG21 ILE A 124 0.229 -2.488 -9.221 1.00 0.27 H new ATOM 0 HG22 ILE A 124 -0.793 -1.299 -8.377 1.00 0.27 H new ATOM 0 HG23 ILE A 124 0.164 -2.472 -7.442 1.00 0.27 H new ATOM 0 HD11 ILE A 124 0.220 -6.107 -9.369 1.00 0.23 H new ATOM 0 HD12 ILE A 124 -0.536 -4.894 -10.431 1.00 0.23 H new ATOM 0 HD13 ILE A 124 0.791 -4.422 -9.344 1.00 0.23 H new ATOM 555 N ILE A 125 -2.039 -1.139 -6.027 1.00 0.08 N ATOM 556 CA ILE A 125 -2.142 0.159 -5.506 1.00 0.08 C ATOM 557 C ILE A 125 -0.895 0.870 -5.875 1.00 0.07 C ATOM 558 O ILE A 125 0.094 0.272 -6.253 1.00 0.09 O ATOM 559 CB ILE A 125 -2.245 0.176 -3.984 1.00 0.08 C ATOM 560 CG1 ILE A 125 -2.967 -1.063 -3.499 1.00 0.09 C ATOM 561 CG2 ILE A 125 -2.965 1.439 -3.530 1.00 0.09 C ATOM 562 CD1 ILE A 125 -4.422 -1.102 -3.874 1.00 0.09 C ATOM 0 H ILE A 125 -1.284 -1.673 -5.597 1.00 0.08 H new ATOM 0 HA ILE A 125 -3.044 0.622 -5.907 1.00 0.08 H new ATOM 0 HB ILE A 125 -1.244 0.176 -3.554 1.00 0.08 H new ATOM 0 HG12 ILE A 125 -2.472 -1.944 -3.908 1.00 0.09 H new ATOM 0 HG13 ILE A 125 -2.879 -1.122 -2.414 1.00 0.09 H new ATOM 0 HG21 ILE A 125 -3.036 1.446 -2.442 1.00 0.09 H new ATOM 0 HG22 ILE A 125 -2.408 2.315 -3.863 1.00 0.09 H new ATOM 0 HG23 ILE A 125 -3.967 1.461 -3.959 1.00 0.09 H new ATOM 0 HD11 ILE A 125 -4.872 -2.019 -3.492 1.00 0.09 H new ATOM 0 HD12 ILE A 125 -4.932 -0.241 -3.443 1.00 0.09 H new ATOM 0 HD13 ILE A 125 -4.519 -1.075 -4.959 1.00 0.09 H new ATOM 574 N GLU A 126 -1.000 2.118 -5.795 1.00 0.07 N ATOM 575 CA GLU A 126 0.126 3.025 -5.836 1.00 0.08 C ATOM 576 C GLU A 126 -0.154 4.077 -4.838 1.00 0.07 C ATOM 577 O GLU A 126 -0.866 5.036 -5.147 1.00 0.08 O ATOM 578 CB GLU A 126 0.313 3.690 -7.179 1.00 0.15 C ATOM 579 CG GLU A 126 0.894 2.791 -8.224 1.00 0.74 C ATOM 580 CD GLU A 126 0.874 3.418 -9.596 1.00 1.19 C ATOM 581 OE1 GLU A 126 -0.201 3.454 -10.227 1.00 1.87 O ATOM 582 OE2 GLU A 126 1.938 3.897 -10.042 1.00 1.41 O ATOM 0 H GLU A 126 -1.898 2.592 -5.694 1.00 0.07 H new ATOM 0 HA GLU A 126 1.036 2.459 -5.636 1.00 0.08 H new ATOM 0 HB2 GLU A 126 -0.651 4.061 -7.527 1.00 0.15 H new ATOM 0 HB3 GLU A 126 0.963 4.557 -7.057 1.00 0.15 H new ATOM 0 HG2 GLU A 126 1.921 2.542 -7.956 1.00 0.74 H new ATOM 0 HG3 GLU A 126 0.335 1.856 -8.247 1.00 0.74 H new ATOM 589 N VAL A 127 0.323 3.927 -3.626 1.00 0.06 N ATOM 590 CA VAL A 127 -0.251 4.730 -2.669 1.00 0.07 C ATOM 591 C VAL A 127 0.564 5.946 -2.325 1.00 0.09 C ATOM 592 O VAL A 127 0.765 6.836 -3.143 1.00 0.13 O ATOM 593 CB VAL A 127 -0.287 3.795 -1.403 1.00 0.07 C ATOM 594 CG1 VAL A 127 -1.468 2.865 -1.341 1.00 0.09 C ATOM 595 CG2 VAL A 127 0.972 2.939 -1.331 1.00 0.07 C ATOM 0 H VAL A 127 1.061 3.289 -3.326 1.00 0.06 H new ATOM 0 HA VAL A 127 -1.213 5.109 -3.015 1.00 0.07 H new ATOM 0 HB VAL A 127 -0.362 4.484 -0.562 1.00 0.07 H new ATOM 0 HG11 VAL A 127 -1.408 2.261 -0.436 1.00 0.09 H new ATOM 0 HG12 VAL A 127 -2.389 3.447 -1.328 1.00 0.09 H new ATOM 0 HG13 VAL A 127 -1.463 2.212 -2.214 1.00 0.09 H new ATOM 0 HG21 VAL A 127 0.928 2.300 -0.449 1.00 0.07 H new ATOM 0 HG22 VAL A 127 1.042 2.319 -2.225 1.00 0.07 H new ATOM 0 HG23 VAL A 127 1.848 3.585 -1.267 1.00 0.07 H new ATOM 605 N VAL A 128 1.225 5.807 -1.253 1.00 0.09 N ATOM 606 CA VAL A 128 2.095 6.786 -0.745 1.00 0.12 C ATOM 607 C VAL A 128 3.390 6.151 -0.410 1.00 0.15 C ATOM 608 O VAL A 128 4.410 6.777 -0.139 1.00 0.20 O ATOM 609 CB VAL A 128 1.425 7.397 0.477 1.00 0.14 C ATOM 610 CG1 VAL A 128 1.429 6.417 1.630 1.00 0.12 C ATOM 611 CG2 VAL A 128 2.044 8.699 0.843 1.00 0.26 C ATOM 0 H VAL A 128 1.175 4.968 -0.675 1.00 0.09 H new ATOM 0 HA VAL A 128 2.296 7.574 -1.471 1.00 0.12 H new ATOM 0 HB VAL A 128 0.385 7.607 0.229 1.00 0.14 H new ATOM 0 HG11 VAL A 128 0.946 6.871 2.495 1.00 0.12 H new ATOM 0 HG12 VAL A 128 0.887 5.516 1.343 1.00 0.12 H new ATOM 0 HG13 VAL A 128 2.457 6.157 1.883 1.00 0.12 H new ATOM 0 HG21 VAL A 128 1.541 9.107 1.720 1.00 0.26 H new ATOM 0 HG22 VAL A 128 3.100 8.550 1.067 1.00 0.26 H new ATOM 0 HG23 VAL A 128 1.945 9.396 0.011 1.00 0.26 H new ATOM 621 N GLY A 129 3.300 4.868 -0.462 1.00 0.15 N ATOM 622 CA GLY A 129 4.372 4.047 -0.042 1.00 0.19 C ATOM 623 C GLY A 129 4.574 4.098 1.433 1.00 0.19 C ATOM 624 O GLY A 129 3.669 4.420 2.199 1.00 0.17 O ATOM 0 H GLY A 129 2.480 4.362 -0.797 1.00 0.15 H new ATOM 0 HA2 GLY A 129 4.180 3.018 -0.346 1.00 0.19 H new ATOM 0 HA3 GLY A 129 5.287 4.362 -0.544 1.00 0.19 H new ATOM 628 N GLU A 130 5.786 3.814 1.790 1.00 0.28 N ATOM 629 CA GLU A 130 6.238 3.611 3.160 1.00 0.35 C ATOM 630 C GLU A 130 6.044 4.796 4.077 1.00 0.35 C ATOM 631 O GLU A 130 6.479 4.780 5.226 1.00 0.41 O ATOM 632 CB GLU A 130 7.685 3.113 3.181 1.00 0.50 C ATOM 633 CG GLU A 130 8.726 4.123 2.696 1.00 1.38 C ATOM 634 CD GLU A 130 8.599 4.472 1.225 1.00 2.38 C ATOM 635 OE1 GLU A 130 8.396 3.550 0.402 1.00 3.01 O ATOM 636 OE2 GLU A 130 8.701 5.674 0.890 1.00 3.03 O ATOM 0 H GLU A 130 6.539 3.708 1.110 1.00 0.28 H new ATOM 0 HA GLU A 130 5.586 2.841 3.572 1.00 0.35 H new ATOM 0 HB2 GLU A 130 7.936 2.817 4.199 1.00 0.50 H new ATOM 0 HB3 GLU A 130 7.754 2.218 2.562 1.00 0.50 H new ATOM 0 HG2 GLU A 130 8.636 5.035 3.286 1.00 1.38 H new ATOM 0 HG3 GLU A 130 9.722 3.721 2.880 1.00 1.38 H new ATOM 643 N VAL A 131 5.422 5.810 3.553 1.00 0.30 N ATOM 644 CA VAL A 131 5.267 7.078 4.267 1.00 0.34 C ATOM 645 C VAL A 131 4.554 6.857 5.585 1.00 0.32 C ATOM 646 O VAL A 131 4.788 7.550 6.580 1.00 0.39 O ATOM 647 CB VAL A 131 4.481 8.099 3.435 1.00 0.35 C ATOM 648 CG1 VAL A 131 4.247 9.387 4.214 1.00 0.41 C ATOM 649 CG2 VAL A 131 5.205 8.401 2.140 1.00 0.37 C ATOM 0 H VAL A 131 5.003 5.799 2.623 1.00 0.30 H new ATOM 0 HA VAL A 131 6.266 7.473 4.450 1.00 0.34 H new ATOM 0 HB VAL A 131 3.511 7.659 3.205 1.00 0.35 H new ATOM 0 HG11 VAL A 131 3.687 10.089 3.596 1.00 0.41 H new ATOM 0 HG12 VAL A 131 3.680 9.167 5.118 1.00 0.41 H new ATOM 0 HG13 VAL A 131 5.206 9.827 4.486 1.00 0.41 H new ATOM 0 HG21 VAL A 131 4.632 9.127 1.564 1.00 0.37 H new ATOM 0 HG22 VAL A 131 6.191 8.810 2.361 1.00 0.37 H new ATOM 0 HG23 VAL A 131 5.314 7.484 1.562 1.00 0.37 H new ATOM 659 N GLU A 132 3.722 5.847 5.591 1.00 0.24 N ATOM 660 CA GLU A 132 2.953 5.504 6.775 1.00 0.22 C ATOM 661 C GLU A 132 3.625 4.411 7.559 1.00 0.23 C ATOM 662 O GLU A 132 2.990 3.608 8.218 1.00 0.23 O ATOM 663 CB GLU A 132 1.543 5.148 6.453 1.00 0.19 C ATOM 664 CG GLU A 132 0.996 5.856 5.231 1.00 0.19 C ATOM 665 CD GLU A 132 0.832 7.338 5.488 1.00 0.26 C ATOM 666 OE1 GLU A 132 -0.016 7.703 6.330 1.00 0.34 O ATOM 667 OE2 GLU A 132 1.559 8.136 4.875 1.00 0.33 O ATOM 0 H GLU A 132 3.555 5.241 4.788 1.00 0.24 H new ATOM 0 HA GLU A 132 2.917 6.397 7.399 1.00 0.22 H new ATOM 0 HB2 GLU A 132 1.477 4.071 6.297 1.00 0.19 H new ATOM 0 HB3 GLU A 132 0.914 5.385 7.311 1.00 0.19 H new ATOM 0 HG2 GLU A 132 1.668 5.702 4.387 1.00 0.19 H new ATOM 0 HG3 GLU A 132 0.034 5.423 4.956 1.00 0.19 H new ATOM 674 N GLU A 133 4.931 4.514 7.549 1.00 0.32 N ATOM 675 CA GLU A 133 5.867 3.586 8.133 1.00 0.38 C ATOM 676 C GLU A 133 5.291 2.200 8.422 1.00 0.26 C ATOM 677 O GLU A 133 5.083 1.801 9.570 1.00 0.28 O ATOM 678 CB GLU A 133 6.452 4.252 9.354 1.00 0.55 C ATOM 679 CG GLU A 133 5.434 4.632 10.414 1.00 0.86 C ATOM 680 CD GLU A 133 6.011 5.552 11.465 1.00 1.14 C ATOM 681 OE1 GLU A 133 6.114 6.769 11.200 1.00 1.50 O ATOM 682 OE2 GLU A 133 6.375 5.067 12.554 1.00 1.14 O ATOM 0 H GLU A 133 5.400 5.302 7.102 1.00 0.32 H new ATOM 0 HA GLU A 133 6.649 3.367 7.406 1.00 0.38 H new ATOM 0 HB2 GLU A 133 7.188 3.583 9.799 1.00 0.55 H new ATOM 0 HB3 GLU A 133 6.985 5.150 9.042 1.00 0.55 H new ATOM 0 HG2 GLU A 133 4.582 5.118 9.938 1.00 0.86 H new ATOM 0 HG3 GLU A 133 5.058 3.728 10.893 1.00 0.86 H new ATOM 689 N GLY A 134 5.065 1.468 7.347 1.00 0.24 N ATOM 690 CA GLY A 134 4.484 0.157 7.433 1.00 0.23 C ATOM 691 C GLY A 134 3.054 0.173 6.981 1.00 0.19 C ATOM 692 O GLY A 134 2.420 -0.863 6.795 1.00 0.26 O ATOM 0 H GLY A 134 5.281 1.771 6.397 1.00 0.24 H new ATOM 0 HA2 GLY A 134 5.056 -0.539 6.819 1.00 0.23 H new ATOM 0 HA3 GLY A 134 4.541 -0.203 8.460 1.00 0.23 H new ATOM 696 N TRP A 135 2.568 1.378 6.818 1.00 0.14 N ATOM 697 CA TRP A 135 1.244 1.639 6.315 1.00 0.11 C ATOM 698 C TRP A 135 1.395 2.445 5.060 1.00 0.09 C ATOM 699 O TRP A 135 2.427 3.085 4.858 1.00 0.12 O ATOM 700 CB TRP A 135 0.381 2.414 7.323 1.00 0.14 C ATOM 701 CG TRP A 135 0.422 1.928 8.746 1.00 0.19 C ATOM 702 CD1 TRP A 135 1.494 1.426 9.426 1.00 0.25 C ATOM 703 CD2 TRP A 135 -0.654 1.955 9.691 1.00 0.21 C ATOM 704 NE1 TRP A 135 1.150 1.125 10.692 1.00 0.29 N ATOM 705 CE2 TRP A 135 -0.155 1.432 10.891 1.00 0.27 C ATOM 706 CE3 TRP A 135 -1.990 2.359 9.640 1.00 0.24 C ATOM 707 CZ2 TRP A 135 -0.928 1.301 12.028 1.00 0.31 C ATOM 708 CZ3 TRP A 135 -2.769 2.229 10.778 1.00 0.30 C ATOM 709 CH2 TRP A 135 -2.236 1.702 11.961 1.00 0.32 C ATOM 0 H TRP A 135 3.095 2.224 7.037 1.00 0.14 H new ATOM 0 HA TRP A 135 0.739 0.691 6.130 1.00 0.11 H new ATOM 0 HB2 TRP A 135 0.693 3.458 7.309 1.00 0.14 H new ATOM 0 HB3 TRP A 135 -0.654 2.385 6.981 1.00 0.14 H new ATOM 0 HD1 TRP A 135 2.480 1.289 9.007 1.00 0.25 H new ATOM 0 HE1 TRP A 135 1.775 0.727 11.393 1.00 0.29 H new ATOM 0 HE3 TRP A 135 -2.408 2.765 8.731 1.00 0.24 H new ATOM 0 HZ2 TRP A 135 -0.515 0.896 12.940 1.00 0.31 H new ATOM 0 HZ3 TRP A 135 -3.803 2.539 10.753 1.00 0.30 H new ATOM 0 HH2 TRP A 135 -2.866 1.610 12.834 1.00 0.32 H new ATOM 720 N TRP A 136 0.394 2.395 4.212 1.00 0.07 N ATOM 721 CA TRP A 136 0.405 3.044 2.970 1.00 0.06 C ATOM 722 C TRP A 136 -0.918 3.698 2.756 1.00 0.06 C ATOM 723 O TRP A 136 -1.903 3.397 3.400 1.00 0.09 O ATOM 724 CB TRP A 136 0.641 2.038 1.867 1.00 0.07 C ATOM 725 CG TRP A 136 1.829 1.231 2.177 1.00 0.07 C ATOM 726 CD1 TRP A 136 2.960 1.755 2.623 1.00 0.12 C ATOM 727 CD2 TRP A 136 2.027 -0.173 2.110 1.00 0.08 C ATOM 728 NE1 TRP A 136 3.875 0.792 2.879 1.00 0.14 N ATOM 729 CE2 TRP A 136 3.341 -0.408 2.549 1.00 0.11 C ATOM 730 CE3 TRP A 136 1.245 -1.253 1.728 1.00 0.08 C ATOM 731 CZ2 TRP A 136 3.895 -1.671 2.613 1.00 0.14 C ATOM 732 CZ3 TRP A 136 1.794 -2.521 1.789 1.00 0.11 C ATOM 733 CH2 TRP A 136 3.112 -2.722 2.226 1.00 0.13 C ATOM 0 H TRP A 136 -0.466 1.879 4.396 1.00 0.07 H new ATOM 0 HA TRP A 136 1.201 3.788 2.956 1.00 0.06 H new ATOM 0 HB2 TRP A 136 -0.230 1.392 1.758 1.00 0.07 H new ATOM 0 HB3 TRP A 136 0.777 2.552 0.916 1.00 0.07 H new ATOM 0 HD1 TRP A 136 3.130 2.812 2.764 1.00 0.12 H new ATOM 0 HE1 TRP A 136 4.810 0.944 3.257 1.00 0.14 H new ATOM 0 HE3 TRP A 136 0.230 -1.107 1.390 1.00 0.08 H new ATOM 0 HZ2 TRP A 136 4.908 -1.822 2.956 1.00 0.14 H new ATOM 0 HZ3 TRP A 136 1.197 -3.372 1.495 1.00 0.11 H new ATOM 0 HH2 TRP A 136 3.514 -3.724 2.257 1.00 0.13 H new ATOM 744 N GLU A 137 -0.909 4.544 1.812 1.00 0.05 N ATOM 745 CA GLU A 137 -2.071 5.370 1.488 1.00 0.05 C ATOM 746 C GLU A 137 -2.150 5.589 0.032 1.00 0.05 C ATOM 747 O GLU A 137 -1.279 6.241 -0.491 1.00 0.06 O ATOM 748 CB GLU A 137 -1.987 6.758 2.047 1.00 0.07 C ATOM 749 CG GLU A 137 -1.693 6.854 3.515 1.00 0.11 C ATOM 750 CD GLU A 137 -2.326 8.093 4.117 1.00 0.17 C ATOM 751 OE1 GLU A 137 -1.889 9.214 3.774 1.00 0.27 O ATOM 752 OE2 GLU A 137 -3.297 7.956 4.890 1.00 0.30 O ATOM 0 H GLU A 137 -0.100 4.712 1.213 1.00 0.05 H new ATOM 0 HA GLU A 137 -2.919 4.828 1.906 1.00 0.05 H new ATOM 0 HB2 GLU A 137 -1.214 7.302 1.504 1.00 0.07 H new ATOM 0 HB3 GLU A 137 -2.931 7.266 1.851 1.00 0.07 H new ATOM 0 HG2 GLU A 137 -2.069 5.966 4.023 1.00 0.11 H new ATOM 0 HG3 GLU A 137 -0.615 6.879 3.672 1.00 0.11 H new ATOM 759 N GLY A 138 -3.198 5.212 -0.625 1.00 0.05 N ATOM 760 CA GLY A 138 -3.113 5.279 -2.037 1.00 0.05 C ATOM 761 C GLY A 138 -4.367 5.051 -2.774 1.00 0.06 C ATOM 762 O GLY A 138 -5.432 4.964 -2.198 1.00 0.08 O ATOM 0 H GLY A 138 -4.075 4.873 -0.230 1.00 0.05 H new ATOM 0 HA2 GLY A 138 -2.728 6.261 -2.311 1.00 0.05 H new ATOM 0 HA3 GLY A 138 -2.380 4.545 -2.372 1.00 0.05 H new ATOM 766 N VAL A 139 -4.216 4.893 -4.066 1.00 0.06 N ATOM 767 CA VAL A 139 -5.348 4.764 -4.921 1.00 0.07 C ATOM 768 C VAL A 139 -5.314 3.449 -5.657 1.00 0.08 C ATOM 769 O VAL A 139 -4.257 2.966 -6.070 1.00 0.11 O ATOM 770 CB VAL A 139 -5.408 5.929 -5.908 1.00 0.09 C ATOM 771 CG1 VAL A 139 -4.318 5.841 -6.969 1.00 0.11 C ATOM 772 CG2 VAL A 139 -6.789 6.026 -6.523 1.00 0.10 C ATOM 0 H VAL A 139 -3.314 4.852 -4.540 1.00 0.06 H new ATOM 0 HA VAL A 139 -6.246 4.786 -4.304 1.00 0.07 H new ATOM 0 HB VAL A 139 -5.217 6.848 -5.353 1.00 0.09 H new ATOM 0 HG11 VAL A 139 -4.401 6.690 -7.647 1.00 0.11 H new ATOM 0 HG12 VAL A 139 -3.340 5.855 -6.488 1.00 0.11 H new ATOM 0 HG13 VAL A 139 -4.432 4.915 -7.532 1.00 0.11 H new ATOM 0 HG21 VAL A 139 -6.817 6.860 -7.224 1.00 0.10 H new ATOM 0 HG22 VAL A 139 -7.018 5.100 -7.051 1.00 0.10 H new ATOM 0 HG23 VAL A 139 -7.527 6.187 -5.737 1.00 0.10 H new ATOM 782 N LEU A 140 -6.473 2.863 -5.787 1.00 0.08 N ATOM 783 CA LEU A 140 -6.623 1.658 -6.478 1.00 0.12 C ATOM 784 C LEU A 140 -7.659 1.813 -7.549 1.00 0.14 C ATOM 785 O LEU A 140 -8.852 1.955 -7.287 1.00 0.15 O ATOM 786 CB LEU A 140 -7.002 0.574 -5.523 1.00 0.19 C ATOM 787 CG LEU A 140 -7.929 -0.456 -6.118 1.00 0.43 C ATOM 788 CD1 LEU A 140 -7.221 -1.256 -7.194 1.00 0.88 C ATOM 789 CD2 LEU A 140 -8.487 -1.367 -5.068 1.00 0.99 C ATOM 0 H LEU A 140 -7.341 3.234 -5.401 1.00 0.08 H new ATOM 0 HA LEU A 140 -5.679 1.387 -6.950 1.00 0.12 H new ATOM 0 HB2 LEU A 140 -6.097 0.077 -5.172 1.00 0.19 H new ATOM 0 HB3 LEU A 140 -7.480 1.020 -4.651 1.00 0.19 H new ATOM 0 HG LEU A 140 -8.764 0.077 -6.572 1.00 0.43 H new ATOM 0 HD11 LEU A 140 -7.907 -1.993 -7.610 1.00 0.88 H new ATOM 0 HD12 LEU A 140 -6.886 -0.585 -7.985 1.00 0.88 H new ATOM 0 HD13 LEU A 140 -6.360 -1.765 -6.761 1.00 0.88 H new ATOM 0 HD21 LEU A 140 -9.150 -2.096 -5.534 1.00 0.99 H new ATOM 0 HD22 LEU A 140 -7.671 -1.887 -4.567 1.00 0.99 H new ATOM 0 HD23 LEU A 140 -9.046 -0.782 -4.338 1.00 0.99 H new ATOM 801 N ASN A 141 -7.161 1.814 -8.745 1.00 0.19 N ATOM 802 CA ASN A 141 -7.985 1.866 -9.950 1.00 0.23 C ATOM 803 C ASN A 141 -8.942 3.034 -9.934 1.00 0.19 C ATOM 804 O ASN A 141 -10.010 3.019 -10.546 1.00 0.26 O ATOM 805 CB ASN A 141 -8.732 0.567 -10.094 1.00 0.30 C ATOM 806 CG ASN A 141 -7.963 -0.427 -10.920 1.00 0.41 C ATOM 807 OD1 ASN A 141 -7.087 -1.170 -10.277 1.00 0.52 O flip ATOM 808 ND2 ASN A 141 -8.143 -0.520 -12.133 1.00 0.50 N flip ATOM 0 H ASN A 141 -6.159 1.779 -8.934 1.00 0.19 H new ATOM 0 HA ASN A 141 -7.329 2.011 -10.808 1.00 0.23 H new ATOM 0 HB2 ASN A 141 -8.926 0.147 -9.107 1.00 0.30 H new ATOM 0 HB3 ASN A 141 -9.701 0.754 -10.557 1.00 0.30 H new ATOM 0 HD21 ASN A 141 -8.832 0.075 -12.593 1.00 0.50 H new ATOM 0 HD22 ASN A 141 -7.603 -1.192 -12.679 1.00 0.50 H new ATOM 815 N GLY A 142 -8.531 4.028 -9.213 1.00 0.12 N ATOM 816 CA GLY A 142 -9.262 5.258 -9.117 1.00 0.11 C ATOM 817 C GLY A 142 -9.916 5.453 -7.779 1.00 0.11 C ATOM 818 O GLY A 142 -10.428 6.527 -7.463 1.00 0.17 O ATOM 0 H GLY A 142 -7.669 4.012 -8.667 1.00 0.12 H new ATOM 0 HA2 GLY A 142 -8.586 6.091 -9.309 1.00 0.11 H new ATOM 0 HA3 GLY A 142 -10.025 5.281 -9.895 1.00 0.11 H new ATOM 822 N LYS A 143 -9.874 4.412 -7.000 1.00 0.10 N ATOM 823 CA LYS A 143 -10.415 4.412 -5.668 1.00 0.12 C ATOM 824 C LYS A 143 -9.320 4.711 -4.676 1.00 0.09 C ATOM 825 O LYS A 143 -8.444 3.885 -4.459 1.00 0.08 O ATOM 826 CB LYS A 143 -11.016 3.053 -5.368 1.00 0.17 C ATOM 827 CG LYS A 143 -11.736 2.984 -4.029 1.00 0.18 C ATOM 828 CD LYS A 143 -13.245 2.964 -4.179 1.00 0.21 C ATOM 829 CE LYS A 143 -13.735 1.598 -4.631 1.00 0.26 C ATOM 830 NZ LYS A 143 -15.219 1.556 -4.732 1.00 0.51 N ATOM 0 H LYS A 143 -9.456 3.523 -7.275 1.00 0.10 H new ATOM 0 HA LYS A 143 -11.188 5.176 -5.591 1.00 0.12 H new ATOM 0 HB2 LYS A 143 -11.717 2.793 -6.161 1.00 0.17 H new ATOM 0 HB3 LYS A 143 -10.224 2.304 -5.384 1.00 0.17 H new ATOM 0 HG2 LYS A 143 -11.416 2.090 -3.494 1.00 0.18 H new ATOM 0 HG3 LYS A 143 -11.446 3.841 -3.420 1.00 0.18 H new ATOM 0 HD2 LYS A 143 -13.711 3.224 -3.229 1.00 0.21 H new ATOM 0 HD3 LYS A 143 -13.551 3.720 -4.902 1.00 0.21 H new ATOM 0 HE2 LYS A 143 -13.297 1.355 -5.599 1.00 0.26 H new ATOM 0 HE3 LYS A 143 -13.396 0.838 -3.928 1.00 0.26 H new ATOM 0 HZ1 LYS A 143 -15.519 0.610 -5.043 1.00 0.51 H new ATOM 0 HZ2 LYS A 143 -15.636 1.764 -3.802 1.00 0.51 H new ATOM 0 HZ3 LYS A 143 -15.540 2.265 -5.422 1.00 0.51 H new ATOM 844 N THR A 144 -9.348 5.876 -4.081 1.00 0.11 N ATOM 845 CA THR A 144 -8.270 6.270 -3.220 1.00 0.08 C ATOM 846 C THR A 144 -8.573 5.917 -1.775 1.00 0.08 C ATOM 847 O THR A 144 -9.728 5.832 -1.367 1.00 0.11 O ATOM 848 CB THR A 144 -7.996 7.758 -3.322 1.00 0.10 C ATOM 849 OG1 THR A 144 -8.229 8.219 -4.662 1.00 0.14 O ATOM 850 CG2 THR A 144 -6.560 8.060 -2.912 1.00 0.10 C ATOM 0 H THR A 144 -10.098 6.560 -4.177 1.00 0.11 H new ATOM 0 HA THR A 144 -7.385 5.725 -3.547 1.00 0.08 H new ATOM 0 HB THR A 144 -8.674 8.280 -2.647 1.00 0.10 H new ATOM 0 HG1 THR A 144 -8.050 9.181 -4.713 1.00 0.14 H new ATOM 0 HG21 THR A 144 -6.377 9.132 -2.990 1.00 0.10 H new ATOM 0 HG22 THR A 144 -6.400 7.739 -1.883 1.00 0.10 H new ATOM 0 HG23 THR A 144 -5.874 7.526 -3.570 1.00 0.10 H new ATOM 858 N GLY A 145 -7.520 5.724 -1.016 1.00 0.06 N ATOM 859 CA GLY A 145 -7.635 5.315 0.350 1.00 0.07 C ATOM 860 C GLY A 145 -6.292 5.263 1.021 1.00 0.06 C ATOM 861 O GLY A 145 -5.386 6.028 0.704 1.00 0.06 O ATOM 0 H GLY A 145 -6.560 5.849 -1.336 1.00 0.06 H new ATOM 0 HA2 GLY A 145 -8.284 6.008 0.885 1.00 0.07 H new ATOM 0 HA3 GLY A 145 -8.106 4.333 0.399 1.00 0.07 H new ATOM 865 N MET A 146 -6.195 4.353 1.947 1.00 0.09 N ATOM 866 CA MET A 146 -4.984 4.042 2.661 1.00 0.10 C ATOM 867 C MET A 146 -5.225 2.768 3.384 1.00 0.16 C ATOM 868 O MET A 146 -6.368 2.474 3.689 1.00 0.35 O ATOM 869 CB MET A 146 -4.650 5.155 3.640 1.00 0.15 C ATOM 870 CG MET A 146 -3.916 4.744 4.921 1.00 0.28 C ATOM 871 SD MET A 146 -5.007 4.075 6.198 1.00 0.64 S ATOM 872 CE MET A 146 -6.068 5.482 6.517 1.00 1.47 C ATOM 0 H MET A 146 -6.988 3.782 2.239 1.00 0.09 H new ATOM 0 HA MET A 146 -4.141 3.945 1.977 1.00 0.10 H new ATOM 0 HB2 MET A 146 -4.041 5.894 3.120 1.00 0.15 H new ATOM 0 HB3 MET A 146 -5.579 5.650 3.923 1.00 0.15 H new ATOM 0 HG2 MET A 146 -3.160 3.998 4.673 1.00 0.28 H new ATOM 0 HG3 MET A 146 -3.390 5.610 5.322 1.00 0.28 H new ATOM 0 HE1 MET A 146 -6.200 5.601 7.592 1.00 1.47 H new ATOM 0 HE2 MET A 146 -5.612 6.382 6.105 1.00 1.47 H new ATOM 0 HE3 MET A 146 -7.038 5.320 6.048 1.00 1.47 H new ATOM 882 N PHE A 147 -4.169 2.022 3.611 1.00 0.06 N ATOM 883 CA PHE A 147 -4.218 0.808 4.374 1.00 0.06 C ATOM 884 C PHE A 147 -3.028 0.675 5.281 1.00 0.06 C ATOM 885 O PHE A 147 -1.963 1.227 5.025 1.00 0.09 O ATOM 886 CB PHE A 147 -4.222 -0.418 3.489 1.00 0.07 C ATOM 887 CG PHE A 147 -3.702 -0.188 2.119 1.00 0.07 C ATOM 888 CD1 PHE A 147 -2.342 -0.278 1.882 1.00 0.08 C ATOM 889 CD2 PHE A 147 -4.556 0.084 1.071 1.00 0.06 C ATOM 890 CE1 PHE A 147 -1.833 -0.100 0.625 1.00 0.09 C ATOM 891 CE2 PHE A 147 -4.061 0.274 -0.195 1.00 0.06 C ATOM 892 CZ PHE A 147 -2.704 0.181 -0.424 1.00 0.08 C ATOM 0 H PHE A 147 -3.238 2.250 3.262 1.00 0.06 H new ATOM 0 HA PHE A 147 -5.142 0.868 4.950 1.00 0.06 H new ATOM 0 HB2 PHE A 147 -3.625 -1.196 3.965 1.00 0.07 H new ATOM 0 HB3 PHE A 147 -5.242 -0.797 3.418 1.00 0.07 H new ATOM 0 HD1 PHE A 147 -1.672 -0.492 2.702 1.00 0.08 H new ATOM 0 HD2 PHE A 147 -5.620 0.148 1.247 1.00 0.06 H new ATOM 0 HE1 PHE A 147 -0.770 -0.176 0.449 1.00 0.09 H new ATOM 0 HE2 PHE A 147 -4.733 0.496 -1.011 1.00 0.06 H new ATOM 0 HZ PHE A 147 -2.316 0.327 -1.421 1.00 0.08 H new ATOM 902 N PRO A 148 -3.188 -0.096 6.342 1.00 0.06 N ATOM 903 CA PRO A 148 -2.073 -0.535 7.156 1.00 0.05 C ATOM 904 C PRO A 148 -1.404 -1.767 6.584 1.00 0.06 C ATOM 905 O PRO A 148 -0.952 -2.636 7.332 1.00 0.10 O ATOM 906 CB PRO A 148 -2.749 -0.867 8.478 1.00 0.06 C ATOM 907 CG PRO A 148 -4.075 -1.403 8.050 1.00 0.07 C ATOM 908 CD PRO A 148 -4.484 -0.551 6.885 1.00 0.07 C ATOM 0 HA PRO A 148 -1.282 0.212 7.229 1.00 0.05 H new ATOM 0 HB2 PRO A 148 -2.181 -1.602 9.048 1.00 0.06 H new ATOM 0 HB3 PRO A 148 -2.855 0.015 9.110 1.00 0.06 H new ATOM 0 HG2 PRO A 148 -4.002 -2.452 7.764 1.00 0.07 H new ATOM 0 HG3 PRO A 148 -4.804 -1.342 8.858 1.00 0.07 H new ATOM 0 HD2 PRO A 148 -5.054 -1.118 6.149 1.00 0.07 H new ATOM 0 HD3 PRO A 148 -5.109 0.286 7.196 1.00 0.07 H new ATOM 916 N SER A 149 -1.359 -1.826 5.253 1.00 0.08 N ATOM 917 CA SER A 149 -0.693 -2.919 4.535 1.00 0.09 C ATOM 918 C SER A 149 -1.146 -4.274 5.063 1.00 0.09 C ATOM 919 O SER A 149 -0.411 -5.260 5.065 1.00 0.13 O ATOM 920 CB SER A 149 0.750 -2.729 4.835 1.00 0.14 C ATOM 921 OG SER A 149 1.169 -1.419 4.534 1.00 0.96 O ATOM 0 H SER A 149 -1.779 -1.124 4.644 1.00 0.08 H new ATOM 0 HA SER A 149 -0.919 -2.902 3.469 1.00 0.09 H new ATOM 0 HB2 SER A 149 0.935 -2.939 5.889 1.00 0.14 H new ATOM 0 HB3 SER A 149 1.340 -3.443 4.260 1.00 0.14 H new ATOM 0 HG SER A 149 1.761 -1.436 3.753 1.00 0.96 H new ATOM 927 N ASN A 150 -2.367 -4.284 5.504 1.00 0.07 N ATOM 928 CA ASN A 150 -2.899 -5.359 6.306 1.00 0.09 C ATOM 929 C ASN A 150 -3.308 -6.525 5.440 1.00 0.11 C ATOM 930 O ASN A 150 -3.000 -7.684 5.705 1.00 0.18 O ATOM 931 CB ASN A 150 -4.060 -4.813 7.123 1.00 0.11 C ATOM 932 CG ASN A 150 -4.515 -5.753 8.215 1.00 0.16 C ATOM 933 OD1 ASN A 150 -5.382 -6.603 8.010 1.00 0.20 O ATOM 934 ND2 ASN A 150 -3.945 -5.587 9.396 1.00 0.18 N ATOM 0 H ASN A 150 -3.037 -3.538 5.318 1.00 0.07 H new ATOM 0 HA ASN A 150 -2.136 -5.739 6.985 1.00 0.09 H new ATOM 0 HB2 ASN A 150 -3.766 -3.863 7.570 1.00 0.11 H new ATOM 0 HB3 ASN A 150 -4.898 -4.607 6.458 1.00 0.11 H new ATOM 0 HD21 ASN A 150 -4.220 -6.176 10.182 1.00 0.18 H new ATOM 0 HD22 ASN A 150 -3.230 -4.870 9.521 1.00 0.18 H new ATOM 941 N PHE A 151 -4.004 -6.170 4.404 1.00 0.09 N ATOM 942 CA PHE A 151 -4.381 -7.082 3.349 1.00 0.09 C ATOM 943 C PHE A 151 -3.404 -6.910 2.201 1.00 0.11 C ATOM 944 O PHE A 151 -3.282 -7.758 1.378 1.00 0.27 O ATOM 945 CB PHE A 151 -5.825 -6.775 2.937 1.00 0.10 C ATOM 946 CG PHE A 151 -6.769 -7.013 4.072 1.00 0.12 C ATOM 947 CD1 PHE A 151 -7.177 -8.301 4.395 1.00 0.15 C ATOM 948 CD2 PHE A 151 -7.209 -5.955 4.851 1.00 0.11 C ATOM 949 CE1 PHE A 151 -8.017 -8.523 5.471 1.00 0.17 C ATOM 950 CE2 PHE A 151 -8.038 -6.168 5.930 1.00 0.13 C ATOM 951 CZ PHE A 151 -8.445 -7.456 6.245 1.00 0.15 C ATOM 0 H PHE A 151 -4.337 -5.217 4.258 1.00 0.09 H new ATOM 0 HA PHE A 151 -4.340 -8.122 3.674 1.00 0.09 H new ATOM 0 HB2 PHE A 151 -5.900 -5.739 2.608 1.00 0.10 H new ATOM 0 HB3 PHE A 151 -6.106 -7.400 2.089 1.00 0.10 H new ATOM 0 HD1 PHE A 151 -6.835 -9.136 3.801 1.00 0.15 H new ATOM 0 HD2 PHE A 151 -6.898 -4.950 4.609 1.00 0.11 H new ATOM 0 HE1 PHE A 151 -8.339 -9.526 5.708 1.00 0.17 H new ATOM 0 HE2 PHE A 151 -8.371 -5.334 6.530 1.00 0.13 H new ATOM 0 HZ PHE A 151 -9.094 -7.627 7.091 1.00 0.15 H new ATOM 961 N ILE A 152 -2.633 -5.836 2.221 1.00 0.09 N ATOM 962 CA ILE A 152 -1.821 -5.443 1.106 1.00 0.08 C ATOM 963 C ILE A 152 -0.347 -5.422 1.450 1.00 0.09 C ATOM 964 O ILE A 152 0.099 -4.761 2.373 1.00 0.15 O ATOM 965 CB ILE A 152 -2.262 -4.075 0.591 1.00 0.07 C ATOM 966 CG1 ILE A 152 -1.087 -3.214 0.163 1.00 0.06 C ATOM 967 CG2 ILE A 152 -3.103 -3.346 1.602 1.00 0.08 C ATOM 968 CD1 ILE A 152 -0.989 -3.085 -1.312 1.00 0.06 C ATOM 0 H ILE A 152 -2.560 -5.213 3.025 1.00 0.09 H new ATOM 0 HA ILE A 152 -1.960 -6.189 0.323 1.00 0.08 H new ATOM 0 HB ILE A 152 -2.873 -4.264 -0.292 1.00 0.07 H new ATOM 0 HG12 ILE A 152 -1.186 -2.223 0.606 1.00 0.06 H new ATOM 0 HG13 ILE A 152 -0.164 -3.646 0.550 1.00 0.06 H new ATOM 0 HG21 ILE A 152 -3.398 -2.377 1.199 1.00 0.08 H new ATOM 0 HG22 ILE A 152 -3.994 -3.933 1.825 1.00 0.08 H new ATOM 0 HG23 ILE A 152 -2.528 -3.199 2.516 1.00 0.08 H new ATOM 0 HD11 ILE A 152 -0.133 -2.460 -1.566 1.00 0.06 H new ATOM 0 HD12 ILE A 152 -0.862 -4.072 -1.756 1.00 0.06 H new ATOM 0 HD13 ILE A 152 -1.900 -2.628 -1.699 1.00 0.06 H new ATOM 980 N LYS A 153 0.360 -6.228 0.721 1.00 0.15 N ATOM 981 CA LYS A 153 1.819 -6.344 0.824 1.00 0.20 C ATOM 982 C LYS A 153 2.495 -6.062 -0.514 1.00 0.33 C ATOM 983 O LYS A 153 2.046 -6.557 -1.547 1.00 0.75 O ATOM 984 CB LYS A 153 2.210 -7.753 1.292 1.00 0.36 C ATOM 985 CG LYS A 153 1.018 -8.640 1.619 1.00 0.28 C ATOM 986 CD LYS A 153 0.287 -8.153 2.864 1.00 0.37 C ATOM 987 CE LYS A 153 0.887 -8.710 4.152 1.00 0.60 C ATOM 988 NZ LYS A 153 2.225 -8.139 4.462 1.00 1.24 N ATOM 0 H LYS A 153 -0.049 -6.844 0.018 1.00 0.15 H new ATOM 0 HA LYS A 153 2.155 -5.604 1.551 1.00 0.20 H new ATOM 0 HB2 LYS A 153 2.806 -8.232 0.515 1.00 0.36 H new ATOM 0 HB3 LYS A 153 2.844 -7.670 2.175 1.00 0.36 H new ATOM 0 HG2 LYS A 153 0.330 -8.654 0.774 1.00 0.28 H new ATOM 0 HG3 LYS A 153 1.356 -9.665 1.771 1.00 0.28 H new ATOM 0 HD2 LYS A 153 0.316 -7.064 2.895 1.00 0.37 H new ATOM 0 HD3 LYS A 153 -0.762 -8.442 2.801 1.00 0.37 H new ATOM 0 HE2 LYS A 153 0.209 -8.505 4.981 1.00 0.60 H new ATOM 0 HE3 LYS A 153 0.970 -9.794 4.069 1.00 0.60 H new ATOM 0 HZ1 LYS A 153 2.385 -8.166 5.489 1.00 1.24 H new ATOM 0 HZ2 LYS A 153 2.960 -8.697 3.982 1.00 1.24 H new ATOM 0 HZ3 LYS A 153 2.267 -7.154 4.131 1.00 1.24 H new ATOM 1002 N GLU A 154 3.547 -5.246 -0.512 1.00 0.15 N ATOM 1003 CA GLU A 154 4.429 -5.178 -1.654 1.00 0.14 C ATOM 1004 C GLU A 154 5.560 -4.196 -1.507 1.00 0.22 C ATOM 1005 O GLU A 154 6.692 -4.486 -1.123 1.00 0.30 O ATOM 1006 CB GLU A 154 3.664 -4.697 -2.844 1.00 0.17 C ATOM 1007 CG GLU A 154 3.537 -5.732 -3.930 1.00 0.33 C ATOM 1008 CD GLU A 154 3.913 -5.183 -5.295 1.00 0.99 C ATOM 1009 OE1 GLU A 154 5.100 -5.248 -5.663 1.00 1.08 O ATOM 1010 OE2 GLU A 154 3.012 -4.698 -6.011 1.00 1.76 O ATOM 0 H GLU A 154 3.800 -4.633 0.263 1.00 0.15 H new ATOM 0 HA GLU A 154 4.832 -6.186 -1.754 1.00 0.14 H new ATOM 0 HB2 GLU A 154 2.668 -4.390 -2.526 1.00 0.17 H new ATOM 0 HB3 GLU A 154 4.156 -3.813 -3.250 1.00 0.17 H new ATOM 0 HG2 GLU A 154 4.176 -6.583 -3.694 1.00 0.33 H new ATOM 0 HG3 GLU A 154 2.512 -6.101 -3.959 1.00 0.33 H new ATOM 1017 N LEU A 155 5.133 -3.026 -1.854 1.00 0.27 N ATOM 1018 CA LEU A 155 5.929 -1.896 -2.257 1.00 0.34 C ATOM 1019 C LEU A 155 6.855 -1.304 -1.225 1.00 0.43 C ATOM 1020 O LEU A 155 6.786 -1.605 -0.034 1.00 0.47 O ATOM 1021 CB LEU A 155 4.947 -0.825 -2.719 1.00 0.29 C ATOM 1022 CG LEU A 155 4.147 -0.065 -1.669 1.00 0.25 C ATOM 1023 CD1 LEU A 155 3.795 -0.924 -0.487 1.00 0.22 C ATOM 1024 CD2 LEU A 155 4.854 1.196 -1.231 1.00 0.35 C ATOM 0 H LEU A 155 4.136 -2.811 -1.866 1.00 0.27 H new ATOM 0 HA LEU A 155 6.609 -2.258 -3.028 1.00 0.34 H new ATOM 0 HB2 LEU A 155 5.506 -0.093 -3.302 1.00 0.29 H new ATOM 0 HB3 LEU A 155 4.237 -1.298 -3.397 1.00 0.29 H new ATOM 0 HG LEU A 155 3.211 0.226 -2.146 1.00 0.25 H new ATOM 0 HD11 LEU A 155 3.225 -0.336 0.233 1.00 0.22 H new ATOM 0 HD12 LEU A 155 3.196 -1.772 -0.819 1.00 0.22 H new ATOM 0 HD13 LEU A 155 4.709 -1.288 -0.017 1.00 0.22 H new ATOM 0 HD21 LEU A 155 4.251 1.709 -0.482 1.00 0.35 H new ATOM 0 HD22 LEU A 155 5.823 0.940 -0.804 1.00 0.35 H new ATOM 0 HD23 LEU A 155 4.998 1.850 -2.091 1.00 0.35 H new ATOM 1036 N SER A 156 7.717 -0.453 -1.777 1.00 0.59 N ATOM 1037 CA SER A 156 8.469 0.558 -1.086 1.00 0.79 C ATOM 1038 C SER A 156 9.752 0.827 -1.861 1.00 0.93 C ATOM 1039 O SER A 156 10.176 -0.019 -2.650 1.00 1.25 O ATOM 1040 CB SER A 156 8.801 0.189 0.365 1.00 1.07 C ATOM 1041 OG SER A 156 9.583 1.193 0.990 1.00 1.78 O ATOM 0 H SER A 156 7.911 -0.462 -2.778 1.00 0.59 H new ATOM 0 HA SER A 156 7.846 1.451 -1.035 1.00 0.79 H new ATOM 0 HB2 SER A 156 7.877 0.044 0.925 1.00 1.07 H new ATOM 0 HB3 SER A 156 9.339 -0.759 0.387 1.00 1.07 H new ATOM 0 HG SER A 156 9.231 2.076 0.753 1.00 1.78 H new ATOM 1047 N GLY A 157 10.333 2.019 -1.698 1.00 1.27 N ATOM 1048 CA GLY A 157 11.718 2.212 -2.087 1.00 1.76 C ATOM 1049 C GLY A 157 12.637 1.162 -1.475 1.00 2.43 C ATOM 1050 O GLY A 157 13.756 0.956 -1.943 1.00 3.12 O ATOM 0 H GLY A 157 9.873 2.842 -1.308 1.00 1.27 H new ATOM 0 HA2 GLY A 157 11.798 2.174 -3.173 1.00 1.76 H new ATOM 0 HA3 GLY A 157 12.046 3.205 -1.778 1.00 1.76 H new ATOM 1054 N GLU A 158 12.154 0.518 -0.412 1.00 2.81 N ATOM 1055 CA GLU A 158 12.799 -0.636 0.186 1.00 3.68 C ATOM 1056 C GLU A 158 12.900 -1.789 -0.805 1.00 4.25 C ATOM 1057 O GLU A 158 12.776 -1.633 -2.020 1.00 4.26 O ATOM 1058 CB GLU A 158 11.993 -1.091 1.401 1.00 4.41 C ATOM 1059 CG GLU A 158 12.760 -1.931 2.409 1.00 5.23 C ATOM 1060 CD GLU A 158 13.802 -1.137 3.161 1.00 5.97 C ATOM 1061 OE1 GLU A 158 13.448 -0.482 4.160 1.00 6.55 O ATOM 1062 OE2 GLU A 158 14.984 -1.188 2.770 1.00 6.23 O ATOM 0 H GLU A 158 11.292 0.792 0.059 1.00 2.81 H new ATOM 0 HA GLU A 158 13.807 -0.347 0.483 1.00 3.68 H new ATOM 0 HB2 GLU A 158 11.603 -0.209 1.909 1.00 4.41 H new ATOM 0 HB3 GLU A 158 11.134 -1.665 1.053 1.00 4.41 H new ATOM 0 HG2 GLU A 158 12.059 -2.367 3.121 1.00 5.23 H new ATOM 0 HG3 GLU A 158 13.244 -2.759 1.891 1.00 5.23 H new ATOM 1069 N SER A 159 13.115 -2.952 -0.255 1.00 5.09 N ATOM 1070 CA SER A 159 13.288 -4.161 -1.030 1.00 5.99 C ATOM 1071 C SER A 159 12.943 -5.392 -0.208 1.00 6.46 C ATOM 1072 O SER A 159 13.787 -6.258 0.021 1.00 7.03 O ATOM 1073 CB SER A 159 14.722 -4.257 -1.550 1.00 6.45 C ATOM 1074 OG SER A 159 15.068 -3.125 -2.339 1.00 6.78 O ATOM 0 H SER A 159 13.177 -3.094 0.753 1.00 5.09 H new ATOM 0 HA SER A 159 12.606 -4.118 -1.879 1.00 5.99 H new ATOM 0 HB2 SER A 159 15.410 -4.339 -0.709 1.00 6.45 H new ATOM 0 HB3 SER A 159 14.835 -5.164 -2.144 1.00 6.45 H new ATOM 0 HG SER A 159 15.991 -3.216 -2.655 1.00 6.78 H new ATOM 1080 N ASP A 160 11.687 -5.464 0.208 1.00 6.48 N ATOM 1081 CA ASP A 160 11.195 -6.544 1.074 1.00 7.02 C ATOM 1082 C ASP A 160 12.097 -6.683 2.289 1.00 6.89 C ATOM 1083 O ASP A 160 12.462 -7.769 2.724 1.00 7.61 O ATOM 1084 CB ASP A 160 11.099 -7.860 0.298 1.00 8.05 C ATOM 1085 CG ASP A 160 10.115 -8.845 0.902 1.00 8.51 C ATOM 1086 OD1 ASP A 160 8.910 -8.770 0.586 1.00 8.82 O ATOM 1087 OD2 ASP A 160 10.543 -9.690 1.720 1.00 8.73 O ATOM 0 H ASP A 160 10.974 -4.779 -0.041 1.00 6.48 H new ATOM 0 HA ASP A 160 10.192 -6.294 1.418 1.00 7.02 H new ATOM 0 HB2 ASP A 160 10.804 -7.647 -0.729 1.00 8.05 H new ATOM 0 HB3 ASP A 160 12.085 -8.322 0.257 1.00 8.05 H new ATOM 1092 N GLU A 161 12.432 -5.531 2.811 1.00 6.14 N ATOM 1093 CA GLU A 161 13.353 -5.373 3.910 1.00 6.19 C ATOM 1094 C GLU A 161 12.762 -4.418 4.919 1.00 5.92 C ATOM 1095 O GLU A 161 13.439 -3.856 5.779 1.00 6.29 O ATOM 1096 CB GLU A 161 14.628 -4.793 3.373 1.00 6.13 C ATOM 1097 CG GLU A 161 15.464 -5.734 2.530 1.00 6.85 C ATOM 1098 CD GLU A 161 16.154 -6.813 3.339 1.00 7.34 C ATOM 1099 OE1 GLU A 161 15.466 -7.704 3.875 1.00 7.62 O ATOM 1100 OE2 GLU A 161 17.396 -6.775 3.439 1.00 7.69 O ATOM 0 H GLU A 161 12.058 -4.645 2.471 1.00 6.14 H new ATOM 0 HA GLU A 161 13.543 -6.334 4.387 1.00 6.19 H new ATOM 0 HB2 GLU A 161 14.385 -3.915 2.775 1.00 6.13 H new ATOM 0 HB3 GLU A 161 15.233 -4.449 4.212 1.00 6.13 H new ATOM 0 HG2 GLU A 161 14.826 -6.203 1.781 1.00 6.85 H new ATOM 0 HG3 GLU A 161 16.216 -5.157 1.992 1.00 6.85 H new ATOM 1107 N LEU A 162 11.484 -4.257 4.750 1.00 5.64 N ATOM 1108 CA LEU A 162 10.645 -3.318 5.490 1.00 5.77 C ATOM 1109 C LEU A 162 10.367 -3.773 6.887 1.00 6.51 C ATOM 1110 O LEU A 162 9.262 -3.656 7.417 1.00 6.98 O ATOM 1111 CB LEU A 162 9.339 -3.161 4.767 1.00 5.89 C ATOM 1112 CG LEU A 162 9.357 -2.276 3.525 1.00 5.70 C ATOM 1113 CD1 LEU A 162 8.032 -2.377 2.792 1.00 6.13 C ATOM 1114 CD2 LEU A 162 9.639 -0.830 3.909 1.00 5.67 C ATOM 0 H LEU A 162 10.957 -4.796 4.062 1.00 5.64 H new ATOM 0 HA LEU A 162 11.185 -2.373 5.551 1.00 5.77 H new ATOM 0 HB2 LEU A 162 8.987 -4.151 4.477 1.00 5.89 H new ATOM 0 HB3 LEU A 162 8.608 -2.755 5.466 1.00 5.89 H new ATOM 0 HG LEU A 162 10.151 -2.620 2.863 1.00 5.70 H new ATOM 0 HD11 LEU A 162 8.056 -1.741 1.907 1.00 6.13 H new ATOM 0 HD12 LEU A 162 7.860 -3.411 2.491 1.00 6.13 H new ATOM 0 HD13 LEU A 162 7.226 -2.052 3.450 1.00 6.13 H new ATOM 0 HD21 LEU A 162 9.649 -0.211 3.012 1.00 5.67 H new ATOM 0 HD22 LEU A 162 8.862 -0.475 4.587 1.00 5.67 H new ATOM 0 HD23 LEU A 162 10.608 -0.767 4.404 1.00 5.67 H new ATOM 1126 N GLY A 163 11.383 -4.295 7.445 1.00 6.86 N ATOM 1127 CA GLY A 163 11.339 -4.784 8.788 1.00 7.71 C ATOM 1128 C GLY A 163 10.884 -6.220 8.826 1.00 8.25 C ATOM 1129 O GLY A 163 10.796 -6.843 9.885 1.00 9.05 O ATOM 0 H GLY A 163 12.289 -4.403 6.988 1.00 6.86 H new ATOM 0 HA2 GLY A 163 12.326 -4.700 9.242 1.00 7.71 H new ATOM 0 HA3 GLY A 163 10.662 -4.169 9.381 1.00 7.71 H new ATOM 1133 N ILE A 164 10.586 -6.718 7.638 1.00 7.96 N ATOM 1134 CA ILE A 164 10.187 -8.073 7.416 1.00 8.59 C ATOM 1135 C ILE A 164 11.162 -9.050 8.065 1.00 9.33 C ATOM 1136 O ILE A 164 12.316 -9.164 7.649 1.00 9.75 O ATOM 1137 CB ILE A 164 10.067 -8.294 5.917 1.00 8.23 C ATOM 1138 CG1 ILE A 164 8.831 -7.558 5.394 1.00 7.85 C ATOM 1139 CG2 ILE A 164 10.034 -9.761 5.557 1.00 9.08 C ATOM 1140 CD1 ILE A 164 8.846 -7.299 3.903 1.00 7.64 C ATOM 0 H ILE A 164 10.620 -6.163 6.783 1.00 7.96 H new ATOM 0 HA ILE A 164 9.220 -8.259 7.883 1.00 8.59 H new ATOM 0 HB ILE A 164 10.956 -7.886 5.436 1.00 8.23 H new ATOM 0 HG12 ILE A 164 7.944 -8.141 5.641 1.00 7.85 H new ATOM 0 HG13 ILE A 164 8.742 -6.605 5.916 1.00 7.85 H new ATOM 0 HG21 ILE A 164 9.948 -9.868 4.476 1.00 9.08 H new ATOM 0 HG22 ILE A 164 10.952 -10.240 5.897 1.00 9.08 H new ATOM 0 HG23 ILE A 164 9.178 -10.235 6.038 1.00 9.08 H new ATOM 0 HD11 ILE A 164 7.935 -6.774 3.616 1.00 7.64 H new ATOM 0 HD12 ILE A 164 9.712 -6.688 3.648 1.00 7.64 H new ATOM 0 HD13 ILE A 164 8.902 -8.248 3.369 1.00 7.64 H new ATOM 1152 N SER A 165 10.701 -9.719 9.110 1.00 9.71 N ATOM 1153 CA SER A 165 11.564 -10.564 9.917 1.00 10.58 C ATOM 1154 C SER A 165 10.924 -11.923 10.180 1.00 11.06 C ATOM 1155 O SER A 165 11.272 -12.614 11.137 1.00 11.41 O ATOM 1156 CB SER A 165 11.878 -9.850 11.232 1.00 11.08 C ATOM 1157 OG SER A 165 10.735 -9.162 11.715 1.00 11.33 O ATOM 0 H SER A 165 9.729 -9.692 9.419 1.00 9.71 H new ATOM 0 HA SER A 165 12.490 -10.744 9.371 1.00 10.58 H new ATOM 0 HB2 SER A 165 12.213 -10.575 11.974 1.00 11.08 H new ATOM 0 HB3 SER A 165 12.696 -9.146 11.083 1.00 11.08 H new ATOM 0 HG SER A 165 10.625 -8.323 11.221 1.00 11.33 H new ATOM 1163 N GLN A 166 9.983 -12.300 9.330 1.00 11.29 N ATOM 1164 CA GLN A 166 9.345 -13.601 9.436 1.00 11.94 C ATOM 1165 C GLN A 166 9.144 -14.192 8.048 1.00 12.32 C ATOM 1166 O GLN A 166 8.101 -13.913 7.425 1.00 12.60 O ATOM 1167 CB GLN A 166 8.000 -13.492 10.164 1.00 12.35 C ATOM 1168 CG GLN A 166 7.391 -14.840 10.509 1.00 12.82 C ATOM 1169 CD GLN A 166 6.007 -14.717 11.111 1.00 13.18 C ATOM 1170 OE1 GLN A 166 5.851 -14.586 12.324 1.00 13.32 O ATOM 1171 NE2 GLN A 166 4.993 -14.788 10.267 1.00 13.54 N ATOM 0 H GLN A 166 9.644 -11.724 8.560 1.00 11.29 H new ATOM 0 HA GLN A 166 9.993 -14.258 10.016 1.00 11.94 H new ATOM 0 HB2 GLN A 166 8.137 -12.918 11.080 1.00 12.35 H new ATOM 0 HB3 GLN A 166 7.301 -12.935 9.540 1.00 12.35 H new ATOM 0 HG2 GLN A 166 7.338 -15.452 9.608 1.00 12.82 H new ATOM 0 HG3 GLN A 166 8.043 -15.360 11.210 1.00 12.82 H new ATOM 0 HE21 GLN A 166 5.168 -14.897 9.268 1.00 13.54 H new ATOM 0 HE22 GLN A 166 4.036 -14.734 10.614 1.00 13.54 H new TER 1180 GLN A 166