USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 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 90 MET CE :methyl -172:sc= -0.0748 (180deg=-0.114) USER MOD Single : A 92 LYS NZ :NH3+ -133:sc= -0.41 (180deg=-0.65) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.131 USER MOD Single : A 103 MET CE :methyl -153:sc= -0.215 (180deg=-0.56) USER MOD Single : A 106 LYS NZ :NH3+ -135:sc= 0.172 (180deg=-3.08!) USER MOD Single : A 107 ASN : amide:sc= 0.0788 K(o=0.079,f=-2.2!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.09) USER MOD Single : A 120 MET CE :methyl 159:sc= -2.84 (180deg=-5.03!) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.0923 F(o=-0.71,f=-0.092) USER MOD Single : A 124 THR OG1 : rot -37:sc= 0.144 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -154:sc= -0.798 (180deg=-1.82) USER MOD Single : A 138 LYS NZ :NH3+ -109:sc= 0.961 (180deg=-0.0287) USER MOD Single : A 142 LYS NZ :NH3+ 179:sc= 2.1 (180deg=2.08) USER MOD Single : A 143 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.25) USER MOD Single : A 144 ASN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 150 TYR OH : rot -93:sc= 0 USER MOD Single : A 157 MET CE :methyl -134:sc= -0.182 (180deg=-0.358) USER MOD Single : A 158 LYS NZ :NH3+ -143:sc= 0.575 (180deg=-3.22!) USER MOD Single : A 162 STL O1 : rot 180:sc= 0 USER MOD Single : A 162 STL O2 : rot 180:sc= 0 USER MOD Single : A 162 STL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 9.105 3.614 -3.225 1.00 2.87 N ATOM 2 CA MET A 90 8.083 4.055 -2.227 1.00 2.20 C ATOM 3 C MET A 90 8.687 4.061 -0.814 1.00 1.76 C ATOM 4 O MET A 90 9.676 3.401 -0.554 1.00 2.23 O ATOM 5 CB MET A 90 6.958 3.016 -2.325 1.00 2.68 C ATOM 6 CG MET A 90 5.734 3.643 -2.999 1.00 3.11 C ATOM 7 SD MET A 90 4.446 3.936 -1.759 1.00 4.08 S ATOM 8 CE MET A 90 3.038 3.388 -2.756 1.00 4.71 C ATOM 0 HA MET A 90 7.724 5.065 -2.423 1.00 2.20 H new ATOM 0 HB2 MET A 90 7.297 2.152 -2.896 1.00 2.68 H new ATOM 0 HB3 MET A 90 6.694 2.657 -1.330 1.00 2.68 H new ATOM 0 HG2 MET A 90 6.011 4.581 -3.480 1.00 3.11 H new ATOM 0 HG3 MET A 90 5.358 2.983 -3.781 1.00 3.11 H new ATOM 0 HE1 MET A 90 2.110 3.616 -2.232 1.00 4.71 H new ATOM 0 HE2 MET A 90 3.049 3.904 -3.716 1.00 4.71 H new ATOM 0 HE3 MET A 90 3.106 2.313 -2.921 1.00 4.71 H new ATOM 20 N GLY A 91 8.098 4.798 0.101 1.00 1.61 N ATOM 21 CA GLY A 91 8.633 4.840 1.501 1.00 1.31 C ATOM 22 C GLY A 91 8.212 3.567 2.245 1.00 1.37 C ATOM 23 O GLY A 91 8.108 2.505 1.660 1.00 1.61 O ATOM 0 H GLY A 91 7.270 5.372 -0.062 1.00 1.61 H new ATOM 0 HA2 GLY A 91 9.720 4.922 1.485 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.254 5.720 2.021 1.00 1.31 H new ATOM 27 N LYS A 92 7.951 3.665 3.523 1.00 1.27 N ATOM 28 CA LYS A 92 7.516 2.461 4.294 1.00 1.47 C ATOM 29 C LYS A 92 5.985 2.467 4.382 1.00 1.40 C ATOM 30 O LYS A 92 5.310 1.741 3.679 1.00 1.56 O ATOM 31 CB LYS A 92 8.165 2.620 5.675 1.00 1.61 C ATOM 32 CG LYS A 92 8.606 1.252 6.202 1.00 1.94 C ATOM 33 CD LYS A 92 9.341 1.430 7.537 1.00 2.31 C ATOM 34 CE LYS A 92 8.328 1.719 8.654 1.00 2.59 C ATOM 35 NZ LYS A 92 8.409 3.191 8.893 1.00 3.20 N1+ ATOM 0 H LYS A 92 8.020 4.526 4.066 1.00 1.27 H new ATOM 0 HA LYS A 92 7.810 1.516 3.837 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.024 3.288 5.609 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.459 3.076 6.368 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.739 0.605 6.336 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.259 0.765 5.478 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.909 0.530 7.773 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.057 2.248 7.462 1.00 2.31 H new ATOM 0 HE2 LYS A 92 7.321 1.424 8.357 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.570 1.160 9.558 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 8.471 3.374 9.915 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 9.253 3.573 8.421 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 7.559 3.652 8.510 1.00 3.20 H new ATOM 49 N SER A 93 5.441 3.312 5.215 1.00 1.38 N ATOM 50 CA SER A 93 3.961 3.426 5.337 1.00 1.40 C ATOM 51 C SER A 93 3.608 4.895 5.577 1.00 1.20 C ATOM 52 O SER A 93 4.434 5.771 5.390 1.00 1.08 O ATOM 53 CB SER A 93 3.568 2.555 6.531 1.00 1.60 C ATOM 54 OG SER A 93 2.461 1.741 6.164 1.00 2.20 O ATOM 0 H SER A 93 5.968 3.937 5.825 1.00 1.38 H new ATOM 0 HA SER A 93 3.432 3.098 4.442 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.409 1.932 6.836 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.309 3.181 7.385 1.00 1.60 H new ATOM 0 HG SER A 93 2.203 1.178 6.923 1.00 2.20 H new ATOM 60 N GLU A 94 2.406 5.184 5.992 1.00 1.26 N ATOM 61 CA GLU A 94 2.030 6.610 6.240 1.00 1.17 C ATOM 62 C GLU A 94 2.775 7.195 7.456 1.00 1.12 C ATOM 63 O GLU A 94 2.705 8.383 7.705 1.00 1.09 O ATOM 64 CB GLU A 94 0.520 6.605 6.460 1.00 1.33 C ATOM 65 CG GLU A 94 -0.158 7.052 5.160 1.00 1.28 C ATOM 66 CD GLU A 94 -0.677 5.831 4.398 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.686 5.282 4.810 1.00 2.09 O1- ATOM 68 OE2 GLU A 94 -0.057 5.467 3.414 1.00 1.94 O ATOM 0 H GLU A 94 1.670 4.501 6.170 1.00 1.26 H new ATOM 0 HA GLU A 94 2.310 7.243 5.398 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.181 5.608 6.742 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.253 7.275 7.277 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.982 7.730 5.384 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.550 7.604 4.541 1.00 1.28 H new ATOM 75 N GLU A 95 3.501 6.390 8.207 1.00 1.19 N ATOM 76 CA GLU A 95 4.253 6.954 9.385 1.00 1.23 C ATOM 77 C GLU A 95 5.387 7.831 8.851 1.00 1.03 C ATOM 78 O GLU A 95 5.515 8.988 9.206 1.00 1.01 O ATOM 79 CB GLU A 95 4.845 5.787 10.219 1.00 1.45 C ATOM 80 CG GLU A 95 4.134 4.448 9.951 1.00 1.90 C ATOM 81 CD GLU A 95 5.005 3.580 9.033 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.561 4.115 8.085 1.00 2.66 O1- ATOM 83 OE2 GLU A 95 5.106 2.394 9.296 1.00 2.49 O ATOM 0 H GLU A 95 3.605 5.386 8.060 1.00 1.19 H new ATOM 0 HA GLU A 95 3.588 7.543 10.017 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.906 5.683 9.990 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.770 6.028 11.279 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.948 3.929 10.891 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.164 4.626 9.488 1.00 1.90 H new ATOM 90 N GLU A 96 6.188 7.287 7.969 1.00 1.02 N ATOM 91 CA GLU A 96 7.303 8.075 7.361 1.00 0.94 C ATOM 92 C GLU A 96 6.737 8.977 6.258 1.00 0.79 C ATOM 93 O GLU A 96 7.188 10.090 6.058 1.00 0.82 O ATOM 94 CB GLU A 96 8.252 7.028 6.769 1.00 1.15 C ATOM 95 CG GLU A 96 9.621 7.130 7.447 1.00 1.62 C ATOM 96 CD GLU A 96 10.016 5.764 8.011 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.267 4.867 7.223 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.056 5.636 9.222 1.00 2.78 O1- ATOM 0 H GLU A 96 6.116 6.323 7.642 1.00 1.02 H new ATOM 0 HA GLU A 96 7.813 8.715 8.080 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.840 6.029 6.909 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.355 7.183 5.695 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.369 7.469 6.730 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.588 7.870 8.247 1.00 1.62 H new ATOM 105 N LEU A 97 5.735 8.498 5.556 1.00 0.77 N ATOM 106 CA LEU A 97 5.097 9.309 4.468 1.00 0.71 C ATOM 107 C LEU A 97 4.557 10.625 5.043 1.00 0.67 C ATOM 108 O LEU A 97 4.607 11.659 4.403 1.00 0.75 O ATOM 109 CB LEU A 97 3.933 8.443 3.963 1.00 0.80 C ATOM 110 CG LEU A 97 4.283 7.789 2.622 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.513 8.873 1.570 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.545 6.936 2.774 1.00 1.22 C ATOM 0 H LEU A 97 5.329 7.572 5.692 1.00 0.77 H new ATOM 0 HA LEU A 97 5.800 9.563 3.675 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.701 7.673 4.699 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.039 9.057 3.851 1.00 0.80 H new ATOM 0 HG LEU A 97 3.459 7.150 2.306 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.762 8.408 0.616 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.607 9.469 1.457 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.334 9.517 1.885 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.789 6.474 1.818 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.374 7.567 3.094 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.372 6.159 3.519 1.00 1.22 H new ATOM 124 N SER A 98 4.040 10.581 6.249 1.00 0.69 N ATOM 125 CA SER A 98 3.484 11.810 6.895 1.00 0.76 C ATOM 126 C SER A 98 4.545 12.913 6.967 1.00 0.72 C ATOM 127 O SER A 98 4.315 14.025 6.536 1.00 0.77 O ATOM 128 CB SER A 98 3.076 11.368 8.300 1.00 0.92 C ATOM 129 OG SER A 98 2.612 12.495 9.034 1.00 1.57 O ATOM 0 H SER A 98 3.980 9.736 6.818 1.00 0.69 H new ATOM 0 HA SER A 98 2.645 12.221 6.333 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.294 10.611 8.242 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.924 10.912 8.810 1.00 0.92 H new ATOM 0 HG SER A 98 2.349 12.213 9.935 1.00 1.57 H new ATOM 135 N ASP A 99 5.702 12.611 7.506 1.00 0.80 N ATOM 136 CA ASP A 99 6.783 13.640 7.607 1.00 0.86 C ATOM 137 C ASP A 99 7.184 14.141 6.212 1.00 0.81 C ATOM 138 O ASP A 99 7.412 15.321 6.015 1.00 0.91 O ATOM 139 CB ASP A 99 7.948 12.926 8.288 1.00 1.02 C ATOM 140 CG ASP A 99 8.948 13.957 8.810 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.655 14.577 9.818 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.988 14.109 8.192 1.00 1.79 O1- ATOM 0 H ASP A 99 5.944 11.694 7.881 1.00 0.80 H new ATOM 0 HA ASP A 99 6.464 14.518 8.168 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.581 12.312 9.110 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.438 12.254 7.583 1.00 1.02 H new ATOM 147 N LEU A 100 7.245 13.260 5.238 1.00 0.75 N ATOM 148 CA LEU A 100 7.603 13.698 3.853 1.00 0.76 C ATOM 149 C LEU A 100 6.604 14.765 3.372 1.00 0.68 C ATOM 150 O LEU A 100 6.919 15.580 2.532 1.00 0.79 O ATOM 151 CB LEU A 100 7.512 12.433 2.990 1.00 0.86 C ATOM 152 CG LEU A 100 8.306 12.633 1.693 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.735 12.111 1.877 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.633 11.864 0.552 1.00 1.41 C ATOM 0 H LEU A 100 7.063 12.262 5.344 1.00 0.75 H new ATOM 0 HA LEU A 100 8.597 14.143 3.800 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.904 11.577 3.540 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.470 12.213 2.759 1.00 0.86 H new ATOM 0 HG LEU A 100 8.333 13.696 1.452 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.296 12.255 0.954 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.221 12.657 2.686 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.706 11.049 2.123 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.200 12.008 -0.368 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.603 10.802 0.797 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.617 12.233 0.414 1.00 1.41 H new ATOM 166 N PHE A 101 5.402 14.761 3.900 1.00 0.60 N ATOM 167 CA PHE A 101 4.389 15.779 3.485 1.00 0.59 C ATOM 168 C PHE A 101 4.379 16.990 4.445 1.00 0.60 C ATOM 169 O PHE A 101 4.488 18.125 4.023 1.00 0.72 O ATOM 170 CB PHE A 101 3.042 15.045 3.522 1.00 0.61 C ATOM 171 CG PHE A 101 1.980 15.917 2.895 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.842 15.953 1.505 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.139 16.692 3.702 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.865 16.762 0.917 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.161 17.503 3.115 1.00 0.90 C ATOM 176 CZ PHE A 101 0.024 17.538 1.722 1.00 0.69 C ATOM 0 H PHE A 101 5.080 14.094 4.602 1.00 0.60 H new ATOM 0 HA PHE A 101 4.610 16.181 2.496 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.116 14.099 2.985 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.773 14.807 4.551 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.492 15.355 0.883 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.245 16.664 4.776 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.760 16.788 -0.158 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.488 18.102 3.737 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.731 18.164 1.269 1.00 0.69 H new ATOM 186 N ARG A 102 4.208 16.750 5.726 1.00 0.67 N ATOM 187 CA ARG A 102 4.137 17.878 6.724 1.00 0.76 C ATOM 188 C ARG A 102 5.476 18.612 6.910 1.00 0.68 C ATOM 189 O ARG A 102 5.498 19.819 7.056 1.00 0.78 O ATOM 190 CB ARG A 102 3.701 17.230 8.051 1.00 0.99 C ATOM 191 CG ARG A 102 4.663 16.097 8.443 1.00 1.30 C ATOM 192 CD ARG A 102 5.552 16.544 9.611 1.00 1.45 C ATOM 193 NE ARG A 102 5.838 15.299 10.381 1.00 2.12 N ATOM 194 CZ ARG A 102 4.963 14.831 11.229 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.916 15.311 12.440 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.142 13.888 10.865 1.00 3.37 N1+ ATOM 0 H ARG A 102 4.114 15.818 6.128 1.00 0.67 H new ATOM 0 HA ARG A 102 3.440 18.638 6.371 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.677 17.983 8.839 1.00 0.99 H new ATOM 0 HB3 ARG A 102 2.689 16.838 7.955 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.097 15.209 8.725 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.282 15.822 7.589 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.472 17.005 9.252 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.046 17.283 10.231 1.00 1.45 H new ATOM 0 HE ARG A 102 6.723 14.810 10.244 1.00 2.12 H new ATOM 0 HH11 ARG A 102 5.561 16.049 12.721 1.00 3.07 H new ATOM 0 HH12 ARG A 102 4.234 14.948 13.106 1.00 3.07 H new ATOM 0 HH21 ARG A 102 4.182 13.515 9.917 1.00 3.37 H new ATOM 0 HH22 ARG A 102 3.459 13.523 11.528 1.00 3.37 H new ATOM 210 N MET A 103 6.581 17.912 6.934 1.00 0.71 N ATOM 211 CA MET A 103 7.896 18.600 7.144 1.00 0.75 C ATOM 212 C MET A 103 8.483 19.119 5.821 1.00 0.68 C ATOM 213 O MET A 103 9.494 19.797 5.816 1.00 0.83 O ATOM 214 CB MET A 103 8.815 17.536 7.759 1.00 0.93 C ATOM 215 CG MET A 103 9.241 17.978 9.162 1.00 1.27 C ATOM 216 SD MET A 103 11.042 18.151 9.218 1.00 1.82 S ATOM 217 CE MET A 103 11.400 16.588 10.057 1.00 2.43 C ATOM 0 H MET A 103 6.633 16.900 6.818 1.00 0.71 H new ATOM 0 HA MET A 103 7.785 19.473 7.787 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.297 16.578 7.810 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.693 17.391 7.130 1.00 0.93 H new ATOM 0 HG2 MET A 103 8.766 18.925 9.417 1.00 1.27 H new ATOM 0 HG3 MET A 103 8.912 17.247 9.901 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.334 16.679 10.612 1.00 2.43 H new ATOM 0 HE2 MET A 103 10.589 16.351 10.746 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.493 15.792 9.319 1.00 2.43 H new ATOM 227 N PHE A 104 7.877 18.802 4.704 1.00 0.68 N ATOM 228 CA PHE A 104 8.429 19.273 3.394 1.00 0.79 C ATOM 229 C PHE A 104 7.716 20.538 2.887 1.00 0.71 C ATOM 230 O PHE A 104 8.231 21.226 2.028 1.00 0.88 O ATOM 231 CB PHE A 104 8.193 18.113 2.432 1.00 0.94 C ATOM 232 CG PHE A 104 9.302 17.092 2.582 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.577 16.524 3.834 1.00 1.26 C ATOM 234 CD2 PHE A 104 10.054 16.715 1.466 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.604 15.581 3.965 1.00 1.86 C ATOM 236 CE2 PHE A 104 11.080 15.773 1.596 1.00 2.65 C ATOM 237 CZ PHE A 104 11.356 15.206 2.846 1.00 2.56 C ATOM 0 H PHE A 104 7.028 18.240 4.641 1.00 0.68 H new ATOM 0 HA PHE A 104 9.481 19.542 3.485 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.228 17.649 2.636 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.159 18.480 1.406 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.997 16.814 4.698 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.843 17.152 0.501 1.00 2.03 H new ATOM 0 HE1 PHE A 104 10.816 15.143 4.929 1.00 1.86 H new ATOM 0 HE2 PHE A 104 11.659 15.483 0.732 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.149 14.480 2.947 1.00 2.56 H new ATOM 247 N ASP A 105 6.546 20.856 3.396 1.00 0.61 N ATOM 248 CA ASP A 105 5.833 22.085 2.913 1.00 0.60 C ATOM 249 C ASP A 105 6.643 23.341 3.267 1.00 0.56 C ATOM 250 O ASP A 105 6.530 23.882 4.351 1.00 0.63 O ATOM 251 CB ASP A 105 4.480 22.096 3.634 1.00 0.68 C ATOM 252 CG ASP A 105 3.462 22.865 2.787 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.448 24.082 2.866 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.716 22.227 2.068 1.00 1.45 O1- ATOM 0 H ASP A 105 6.059 20.324 4.117 1.00 0.61 H new ATOM 0 HA ASP A 105 5.706 22.079 1.830 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.135 21.075 3.800 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.581 22.562 4.614 1.00 0.68 H new ATOM 259 N LYS A 106 7.459 23.804 2.353 1.00 0.59 N ATOM 260 CA LYS A 106 8.288 25.025 2.617 1.00 0.66 C ATOM 261 C LYS A 106 7.401 26.281 2.676 1.00 0.55 C ATOM 262 O LYS A 106 7.800 27.304 3.198 1.00 0.63 O ATOM 263 CB LYS A 106 9.257 25.098 1.429 1.00 0.87 C ATOM 264 CG LYS A 106 10.179 26.316 1.564 1.00 1.21 C ATOM 265 CD LYS A 106 10.816 26.628 0.202 1.00 1.61 C ATOM 266 CE LYS A 106 10.082 27.797 -0.470 1.00 1.77 C ATOM 267 NZ LYS A 106 8.968 27.176 -1.248 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.589 23.388 1.431 1.00 0.59 H new ATOM 0 HA LYS A 106 8.810 24.973 3.573 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.853 24.187 1.381 1.00 0.87 H new ATOM 0 HB3 LYS A 106 8.695 25.161 0.497 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.612 27.177 1.918 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.955 26.118 2.304 1.00 1.21 H new ATOM 0 HD2 LYS A 106 11.869 26.877 0.333 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.774 25.747 -0.438 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.699 28.498 0.272 1.00 1.77 H new ATOM 0 HE3 LYS A 106 10.751 28.357 -1.123 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 8.925 27.604 -2.195 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 9.135 26.153 -1.337 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 8.067 27.338 -0.754 1.00 2.14 H new ATOM 281 N ASN A 107 6.206 26.213 2.141 1.00 0.48 N ATOM 282 CA ASN A 107 5.300 27.401 2.157 1.00 0.50 C ATOM 283 C ASN A 107 4.525 27.494 3.488 1.00 0.58 C ATOM 284 O ASN A 107 4.087 28.558 3.879 1.00 0.70 O ATOM 285 CB ASN A 107 4.348 27.159 0.987 1.00 0.54 C ATOM 286 CG ASN A 107 3.770 28.481 0.479 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.328 29.534 0.706 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.668 28.465 -0.217 1.00 0.78 N ATOM 0 H ASN A 107 5.819 25.382 1.693 1.00 0.48 H new ATOM 0 HA ASN A 107 5.846 28.340 2.067 1.00 0.50 H new ATOM 0 HB2 ASN A 107 4.877 26.653 0.179 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.539 26.499 1.300 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.275 29.338 -0.570 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.198 27.580 -0.408 1.00 0.78 H new ATOM 295 N ALA A 108 4.370 26.385 4.182 1.00 0.65 N ATOM 296 CA ALA A 108 3.646 26.367 5.500 1.00 0.84 C ATOM 297 C ALA A 108 2.144 26.689 5.354 1.00 0.78 C ATOM 298 O ALA A 108 1.638 27.607 5.975 1.00 0.96 O ATOM 299 CB ALA A 108 4.350 27.419 6.366 1.00 1.03 C ATOM 0 H ALA A 108 4.722 25.475 3.884 1.00 0.65 H new ATOM 0 HA ALA A 108 3.682 25.373 5.946 1.00 0.84 H new ATOM 0 HB1 ALA A 108 3.874 27.462 7.346 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.400 27.150 6.484 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.277 28.394 5.885 1.00 1.03 H new ATOM 305 N ASP A 109 1.420 25.926 4.566 1.00 0.73 N ATOM 306 CA ASP A 109 -0.053 26.186 4.423 1.00 0.74 C ATOM 307 C ASP A 109 -0.880 24.877 4.480 1.00 0.78 C ATOM 308 O ASP A 109 -2.095 24.920 4.535 1.00 0.96 O ATOM 309 CB ASP A 109 -0.234 26.902 3.070 1.00 0.72 C ATOM 310 CG ASP A 109 0.373 26.099 1.912 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.534 24.900 2.044 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.663 26.707 0.897 1.00 1.95 O1- ATOM 0 H ASP A 109 1.779 25.142 4.021 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.417 26.798 5.248 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -1.296 27.062 2.883 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.234 27.885 3.114 1.00 0.72 H new ATOM 317 N GLY A 110 -0.244 23.720 4.476 1.00 0.76 N ATOM 318 CA GLY A 110 -1.013 22.435 4.539 1.00 0.85 C ATOM 319 C GLY A 110 -0.951 21.693 3.194 1.00 0.70 C ATOM 320 O GLY A 110 -1.044 20.481 3.149 1.00 0.73 O ATOM 0 H GLY A 110 0.770 23.615 4.432 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.607 21.802 5.328 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -2.052 22.640 4.798 1.00 0.85 H new ATOM 324 N TYR A 111 -0.810 22.404 2.100 1.00 0.68 N ATOM 325 CA TYR A 111 -0.761 21.732 0.758 1.00 0.60 C ATOM 326 C TYR A 111 0.521 22.120 0.015 1.00 0.58 C ATOM 327 O TYR A 111 0.808 23.285 -0.160 1.00 0.83 O ATOM 328 CB TYR A 111 -1.985 22.255 -0.005 1.00 0.68 C ATOM 329 CG TYR A 111 -3.243 22.051 0.808 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.608 22.987 1.785 1.00 0.71 C ATOM 331 CD2 TYR A 111 -4.047 20.930 0.580 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.775 22.798 2.534 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.215 20.741 1.328 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.578 21.675 2.305 1.00 0.80 C ATOM 335 OH TYR A 111 -6.728 21.487 3.044 1.00 0.90 O ATOM 0 H TYR A 111 -0.727 23.420 2.077 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.768 20.646 0.850 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.857 23.314 -0.228 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.074 21.737 -0.960 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.989 23.854 1.960 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.767 20.209 -0.174 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -5.056 23.518 3.288 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.836 19.875 1.151 1.00 0.83 H new ATOM 0 HH TYR A 111 -7.169 20.660 2.758 1.00 0.90 H new ATOM 345 N ILE A 112 1.288 21.160 -0.435 1.00 0.50 N ATOM 346 CA ILE A 112 2.552 21.498 -1.163 1.00 0.50 C ATOM 347 C ILE A 112 2.231 22.053 -2.559 1.00 0.49 C ATOM 348 O ILE A 112 1.338 21.584 -3.235 1.00 0.66 O ATOM 349 CB ILE A 112 3.332 20.181 -1.249 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.927 19.865 0.132 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.460 20.315 -2.281 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.825 18.626 0.057 1.00 0.66 C ATOM 0 H ILE A 112 1.097 20.163 -0.332 1.00 0.50 H new ATOM 0 HA ILE A 112 3.131 22.268 -0.654 1.00 0.50 H new ATOM 0 HB ILE A 112 2.665 19.376 -1.556 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.503 20.718 0.490 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.125 19.697 0.851 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.013 19.377 -2.340 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.034 20.547 -3.257 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.135 21.116 -1.980 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.238 18.416 1.043 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.238 17.771 -0.280 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.638 18.808 -0.646 1.00 0.66 H new ATOM 364 N ASP A 113 2.949 23.065 -2.979 1.00 0.47 N ATOM 365 CA ASP A 113 2.686 23.677 -4.317 1.00 0.50 C ATOM 366 C ASP A 113 3.877 23.451 -5.263 1.00 0.50 C ATOM 367 O ASP A 113 4.901 22.914 -4.877 1.00 0.57 O ATOM 368 CB ASP A 113 2.480 25.174 -4.033 1.00 0.60 C ATOM 369 CG ASP A 113 1.393 25.358 -2.964 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.347 24.748 -3.097 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.626 26.107 -2.029 1.00 1.77 O1- ATOM 0 H ASP A 113 3.708 23.495 -2.451 1.00 0.47 H new ATOM 0 HA ASP A 113 1.820 23.235 -4.810 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.415 25.621 -3.694 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.193 25.691 -4.949 1.00 0.60 H new ATOM 376 N LEU A 114 3.735 23.847 -6.504 1.00 0.52 N ATOM 377 CA LEU A 114 4.831 23.656 -7.515 1.00 0.57 C ATOM 378 C LEU A 114 6.153 24.302 -7.065 1.00 0.63 C ATOM 379 O LEU A 114 7.219 23.757 -7.284 1.00 0.80 O ATOM 380 CB LEU A 114 4.314 24.353 -8.775 1.00 0.62 C ATOM 381 CG LEU A 114 3.259 23.481 -9.456 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.080 24.353 -9.888 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.868 22.808 -10.689 1.00 0.81 C ATOM 0 H LEU A 114 2.897 24.301 -6.868 1.00 0.52 H new ATOM 0 HA LEU A 114 5.050 22.599 -7.664 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.886 25.321 -8.516 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.140 24.543 -9.461 1.00 0.62 H new ATOM 0 HG LEU A 114 2.915 22.718 -8.757 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.327 23.732 -10.374 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.644 24.835 -9.013 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.427 25.115 -10.586 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.115 22.187 -11.174 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.213 23.571 -11.387 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.711 22.187 -10.385 1.00 0.81 H new ATOM 395 N ASP A 115 6.094 25.465 -6.464 1.00 0.61 N ATOM 396 CA ASP A 115 7.349 26.155 -6.027 1.00 0.71 C ATOM 397 C ASP A 115 8.128 25.319 -4.996 1.00 0.65 C ATOM 398 O ASP A 115 9.333 25.190 -5.087 1.00 0.89 O ATOM 399 CB ASP A 115 6.883 27.478 -5.407 1.00 0.80 C ATOM 400 CG ASP A 115 8.097 28.295 -4.960 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.796 28.803 -5.821 1.00 1.76 O1- ATOM 402 OD2 ASP A 115 8.311 28.395 -3.763 1.00 1.76 O ATOM 0 H ASP A 115 5.231 25.967 -6.257 1.00 0.61 H new ATOM 0 HA ASP A 115 8.030 26.306 -6.865 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.299 28.044 -6.132 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.231 27.282 -4.556 1.00 0.80 H new ATOM 407 N GLU A 116 7.462 24.767 -4.014 1.00 0.51 N ATOM 408 CA GLU A 116 8.192 23.961 -2.978 1.00 0.48 C ATOM 409 C GLU A 116 8.669 22.615 -3.553 1.00 0.49 C ATOM 410 O GLU A 116 9.724 22.132 -3.193 1.00 0.63 O ATOM 411 CB GLU A 116 7.195 23.737 -1.836 1.00 0.48 C ATOM 412 CG GLU A 116 6.591 25.062 -1.384 1.00 0.57 C ATOM 413 CD GLU A 116 5.197 24.797 -0.844 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.094 24.241 0.237 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.255 25.153 -1.519 1.00 1.36 O1- ATOM 0 H GLU A 116 6.453 24.836 -3.881 1.00 0.51 H new ATOM 0 HA GLU A 116 9.085 24.484 -2.635 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.403 23.063 -2.164 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.697 23.255 -0.997 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.214 25.520 -0.616 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.547 25.762 -2.218 1.00 0.57 H new ATOM 422 N LEU A 117 7.915 22.006 -4.445 1.00 0.48 N ATOM 423 CA LEU A 117 8.363 20.693 -5.031 1.00 0.52 C ATOM 424 C LEU A 117 9.711 20.874 -5.744 1.00 0.58 C ATOM 425 O LEU A 117 10.639 20.111 -5.544 1.00 0.69 O ATOM 426 CB LEU A 117 7.295 20.291 -6.058 1.00 0.55 C ATOM 427 CG LEU A 117 5.941 20.051 -5.384 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.838 20.285 -6.414 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.855 18.605 -4.882 1.00 0.53 C ATOM 0 H LEU A 117 7.020 22.355 -4.789 1.00 0.48 H new ATOM 0 HA LEU A 117 8.483 19.935 -4.257 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.196 21.074 -6.809 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.610 19.387 -6.579 1.00 0.55 H new ATOM 0 HG LEU A 117 5.827 20.731 -4.539 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.866 20.118 -5.950 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.894 21.310 -6.781 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.966 19.594 -7.247 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.889 18.443 -4.404 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.963 17.921 -5.724 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.652 18.422 -4.161 1.00 0.53 H new ATOM 441 N LYS A 118 9.814 21.885 -6.576 1.00 0.59 N ATOM 442 CA LYS A 118 11.088 22.144 -7.323 1.00 0.69 C ATOM 443 C LYS A 118 12.225 22.530 -6.358 1.00 0.64 C ATOM 444 O LYS A 118 13.383 22.313 -6.646 1.00 0.73 O ATOM 445 CB LYS A 118 10.745 23.296 -8.295 1.00 0.83 C ATOM 446 CG LYS A 118 11.700 24.484 -8.104 1.00 0.99 C ATOM 447 CD LYS A 118 11.169 25.706 -8.862 1.00 1.35 C ATOM 448 CE LYS A 118 10.071 26.392 -8.039 1.00 1.51 C ATOM 449 NZ LYS A 118 10.598 27.756 -7.732 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.063 22.547 -6.771 1.00 0.59 H new ATOM 0 HA LYS A 118 11.445 21.262 -7.854 1.00 0.69 H new ATOM 0 HB2 LYS A 118 10.805 22.939 -9.323 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.718 23.621 -8.130 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.798 24.717 -7.044 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.695 24.224 -8.466 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.982 26.406 -9.056 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.773 25.401 -9.831 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.138 26.448 -8.599 1.00 1.51 H new ATOM 0 HE3 LYS A 118 9.861 25.837 -7.125 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.980 28.218 -7.035 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.560 27.677 -7.344 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.622 28.323 -8.603 1.00 1.99 H new ATOM 463 N ILE A 119 11.906 23.104 -5.224 1.00 0.68 N ATOM 464 CA ILE A 119 12.975 23.505 -4.254 1.00 0.74 C ATOM 465 C ILE A 119 13.283 22.362 -3.268 1.00 0.75 C ATOM 466 O ILE A 119 14.280 22.394 -2.569 1.00 0.85 O ATOM 467 CB ILE A 119 12.401 24.721 -3.512 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.212 25.882 -4.499 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.361 25.155 -2.401 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.366 26.979 -3.847 1.00 1.06 C ATOM 0 H ILE A 119 10.953 23.313 -4.927 1.00 0.68 H new ATOM 0 HA ILE A 119 13.914 23.735 -4.757 1.00 0.74 H new ATOM 0 HB ILE A 119 11.440 24.450 -3.074 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.182 26.283 -4.794 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.726 25.525 -5.407 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.947 26.018 -1.879 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.496 24.335 -1.696 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.324 25.422 -2.836 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.233 27.802 -4.549 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.392 26.574 -3.575 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.870 27.344 -2.952 1.00 1.06 H new ATOM 482 N MET A 120 12.439 21.361 -3.197 1.00 0.85 N ATOM 483 CA MET A 120 12.682 20.232 -2.245 1.00 1.01 C ATOM 484 C MET A 120 13.685 19.224 -2.822 1.00 0.95 C ATOM 485 O MET A 120 14.654 18.868 -2.177 1.00 1.11 O ATOM 486 CB MET A 120 11.315 19.572 -2.053 1.00 1.17 C ATOM 487 CG MET A 120 11.446 18.398 -1.079 1.00 1.52 C ATOM 488 SD MET A 120 12.051 19.003 0.517 1.00 1.88 S ATOM 489 CE MET A 120 10.616 20.026 0.929 1.00 1.43 C ATOM 0 H MET A 120 11.591 21.277 -3.758 1.00 0.85 H new ATOM 0 HA MET A 120 13.108 20.586 -1.306 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.599 20.299 -1.669 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.931 19.222 -3.011 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.481 17.907 -0.952 1.00 1.52 H new ATOM 0 HG3 MET A 120 12.132 17.653 -1.481 1.00 1.52 H new ATOM 0 HE1 MET A 120 10.589 20.199 2.005 1.00 1.43 H new ATOM 0 HE2 MET A 120 10.689 20.981 0.409 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.704 19.514 0.621 1.00 1.43 H new ATOM 499 N LEU A 121 13.455 18.753 -4.023 1.00 0.87 N ATOM 500 CA LEU A 121 14.393 17.757 -4.633 1.00 0.95 C ATOM 501 C LEU A 121 15.764 18.386 -4.933 1.00 0.87 C ATOM 502 O LEU A 121 16.715 17.682 -5.213 1.00 0.97 O ATOM 503 CB LEU A 121 13.710 17.294 -5.923 1.00 1.09 C ATOM 504 CG LEU A 121 13.951 15.795 -6.121 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.093 14.995 -5.135 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.573 15.401 -7.551 1.00 1.80 C ATOM 0 H LEU A 121 12.660 19.014 -4.607 1.00 0.87 H new ATOM 0 HA LEU A 121 14.588 16.926 -3.954 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.640 17.497 -5.873 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.101 17.851 -6.774 1.00 1.09 H new ATOM 0 HG LEU A 121 15.004 15.577 -5.945 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.269 13.929 -5.281 1.00 2.03 H new ATOM 0 HD12 LEU A 121 13.359 15.270 -4.114 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.040 15.216 -5.307 1.00 2.03 H new ATOM 0 HD21 LEU A 121 13.745 14.334 -7.692 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.520 15.625 -7.724 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.184 15.963 -8.257 1.00 1.80 H new ATOM 518 N GLN A 122 15.883 19.695 -4.867 1.00 0.82 N ATOM 519 CA GLN A 122 17.207 20.349 -5.140 1.00 0.95 C ATOM 520 C GLN A 122 18.304 19.756 -4.241 1.00 1.04 C ATOM 521 O GLN A 122 19.452 19.663 -4.635 1.00 1.19 O ATOM 522 CB GLN A 122 17.004 21.831 -4.811 1.00 1.14 C ATOM 523 CG GLN A 122 16.499 22.570 -6.055 1.00 1.42 C ATOM 524 CD GLN A 122 16.664 24.080 -5.860 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.212 24.644 -4.772 1.00 2.44 O flip ATOM 526 NE2 GLN A 122 17.208 24.756 -6.708 1.00 2.28 N flip ATOM 0 H GLN A 122 15.124 20.336 -4.637 1.00 0.82 H new ATOM 0 HA GLN A 122 17.523 20.195 -6.172 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.288 21.938 -3.996 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.942 22.270 -4.471 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.055 22.244 -6.934 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.451 22.329 -6.233 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.562 24.319 -7.559 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.311 25.761 -6.570 1.00 2.28 H new ATOM 535 N ALA A 123 17.959 19.356 -3.038 1.00 1.09 N ATOM 536 CA ALA A 123 18.980 18.771 -2.110 1.00 1.33 C ATOM 537 C ALA A 123 19.455 17.391 -2.605 1.00 1.38 C ATOM 538 O ALA A 123 20.572 16.989 -2.342 1.00 1.62 O ATOM 539 CB ALA A 123 18.266 18.648 -0.760 1.00 1.45 C ATOM 0 H ALA A 123 17.013 19.410 -2.659 1.00 1.09 H new ATOM 0 HA ALA A 123 19.872 19.394 -2.047 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.950 18.226 -0.024 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.941 19.634 -0.429 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.399 17.996 -0.865 1.00 1.45 H new ATOM 545 N THR A 124 18.623 16.668 -3.318 1.00 1.29 N ATOM 546 CA THR A 124 19.041 15.318 -3.824 1.00 1.47 C ATOM 547 C THR A 124 19.259 15.331 -5.350 1.00 1.44 C ATOM 548 O THR A 124 19.692 14.348 -5.923 1.00 1.72 O ATOM 549 CB THR A 124 17.891 14.370 -3.449 1.00 1.56 C ATOM 550 OG1 THR A 124 18.267 13.029 -3.738 1.00 2.16 O ATOM 551 CG2 THR A 124 16.632 14.721 -4.246 1.00 1.92 C ATOM 0 H THR A 124 17.676 16.952 -3.571 1.00 1.29 H new ATOM 0 HA THR A 124 19.989 15.006 -3.386 1.00 1.47 H new ATOM 0 HB THR A 124 17.682 14.476 -2.385 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.803 13.009 -4.558 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.826 14.041 -3.970 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.335 15.746 -4.024 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.838 14.626 -5.312 1.00 1.92 H new ATOM 559 N GLY A 125 18.965 16.427 -6.016 1.00 1.26 N ATOM 560 CA GLY A 125 19.160 16.478 -7.497 1.00 1.32 C ATOM 561 C GLY A 125 18.376 17.650 -8.100 1.00 1.26 C ATOM 562 O GLY A 125 18.808 18.785 -8.045 1.00 1.63 O ATOM 0 H GLY A 125 18.600 17.282 -5.597 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.220 16.585 -7.727 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.829 15.542 -7.946 1.00 1.32 H new ATOM 566 N GLU A 126 17.233 17.374 -8.689 1.00 1.02 N ATOM 567 CA GLU A 126 16.401 18.454 -9.322 1.00 1.08 C ATOM 568 C GLU A 126 17.214 19.226 -10.379 1.00 0.89 C ATOM 569 O GLU A 126 17.164 20.440 -10.458 1.00 0.87 O ATOM 570 CB GLU A 126 15.971 19.371 -8.169 1.00 1.34 C ATOM 571 CG GLU A 126 14.833 20.291 -8.632 1.00 1.45 C ATOM 572 CD GLU A 126 13.543 19.486 -8.812 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.338 18.967 -9.897 1.00 2.09 O1- ATOM 574 OE2 GLU A 126 12.779 19.406 -7.865 1.00 2.16 O ATOM 0 H GLU A 126 16.837 16.437 -8.759 1.00 1.02 H new ATOM 0 HA GLU A 126 15.538 18.044 -9.846 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.644 18.772 -7.319 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.818 19.968 -7.831 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.676 21.084 -7.901 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.104 20.772 -9.572 1.00 1.45 H new ATOM 581 N THR A 127 17.951 18.523 -11.203 1.00 1.09 N ATOM 582 CA THR A 127 18.753 19.204 -12.269 1.00 1.21 C ATOM 583 C THR A 127 18.139 18.893 -13.645 1.00 1.29 C ATOM 584 O THR A 127 18.654 18.095 -14.405 1.00 1.60 O ATOM 585 CB THR A 127 20.182 18.640 -12.138 1.00 1.57 C ATOM 586 OG1 THR A 127 20.999 19.176 -13.172 1.00 1.91 O ATOM 587 CG2 THR A 127 20.175 17.108 -12.235 1.00 2.18 C ATOM 0 H THR A 127 18.033 17.506 -11.184 1.00 1.09 H new ATOM 0 HA THR A 127 18.761 20.289 -12.165 1.00 1.21 H new ATOM 0 HB THR A 127 20.580 18.924 -11.164 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.908 18.819 -13.089 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.194 16.733 -12.140 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.560 16.696 -11.435 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.766 16.806 -13.199 1.00 2.18 H new ATOM 595 N ILE A 128 17.024 19.509 -13.957 1.00 1.08 N ATOM 596 CA ILE A 128 16.354 19.237 -15.271 1.00 1.20 C ATOM 597 C ILE A 128 15.699 20.507 -15.841 1.00 1.18 C ATOM 598 O ILE A 128 15.948 21.607 -15.383 1.00 1.15 O ATOM 599 CB ILE A 128 15.282 18.162 -14.988 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.821 18.200 -13.520 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.854 16.777 -15.297 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.938 19.427 -13.284 1.00 2.03 C ATOM 0 H ILE A 128 16.549 20.187 -13.361 1.00 1.08 H new ATOM 0 HA ILE A 128 17.079 18.902 -16.013 1.00 1.20 H new ATOM 0 HB ILE A 128 14.422 18.368 -15.625 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.269 17.292 -13.279 1.00 1.32 H new ATOM 0 HG13 ILE A 128 15.687 18.231 -12.858 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.098 16.018 -15.097 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.147 16.730 -16.346 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.726 16.595 -14.668 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.615 19.448 -12.243 1.00 2.03 H new ATOM 0 HD12 ILE A 128 14.505 20.331 -13.507 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.064 19.377 -13.934 1.00 2.03 H new ATOM 614 N THR A 129 14.869 20.354 -16.847 1.00 1.34 N ATOM 615 CA THR A 129 14.193 21.539 -17.473 1.00 1.42 C ATOM 616 C THR A 129 12.870 21.850 -16.757 1.00 1.16 C ATOM 617 O THR A 129 12.452 21.141 -15.859 1.00 0.97 O ATOM 618 CB THR A 129 13.931 21.130 -18.935 1.00 1.64 C ATOM 619 OG1 THR A 129 15.020 20.355 -19.423 1.00 2.23 O ATOM 620 CG2 THR A 129 13.774 22.378 -19.806 1.00 2.28 C ATOM 0 H THR A 129 14.629 19.455 -17.264 1.00 1.34 H new ATOM 0 HA THR A 129 14.806 22.438 -17.404 1.00 1.42 H new ATOM 0 HB THR A 129 13.015 20.540 -18.975 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.847 20.096 -20.352 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.589 22.080 -20.838 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.935 22.971 -19.443 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.686 22.973 -19.758 1.00 2.28 H new ATOM 628 N GLU A 130 12.214 22.917 -17.149 1.00 1.31 N ATOM 629 CA GLU A 130 10.914 23.304 -16.502 1.00 1.28 C ATOM 630 C GLU A 130 9.851 22.198 -16.650 1.00 1.16 C ATOM 631 O GLU A 130 9.039 22.003 -15.766 1.00 1.21 O ATOM 632 CB GLU A 130 10.463 24.593 -17.212 1.00 1.69 C ATOM 633 CG GLU A 130 10.465 24.399 -18.736 1.00 2.05 C ATOM 634 CD GLU A 130 11.459 25.370 -19.377 1.00 2.43 C ATOM 635 OE1 GLU A 130 12.649 25.189 -19.177 1.00 2.70 O1- ATOM 636 OE2 GLU A 130 11.012 26.276 -20.059 1.00 3.03 O ATOM 0 H GLU A 130 12.523 23.542 -17.894 1.00 1.31 H new ATOM 0 HA GLU A 130 11.042 23.453 -15.430 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.463 24.869 -16.876 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.127 25.414 -16.943 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.735 23.372 -18.981 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.465 24.570 -19.136 1.00 2.05 H new ATOM 643 N ASP A 131 9.847 21.471 -17.747 1.00 1.18 N ATOM 644 CA ASP A 131 8.829 20.381 -17.919 1.00 1.19 C ATOM 645 C ASP A 131 9.031 19.297 -16.852 1.00 1.07 C ATOM 646 O ASP A 131 8.079 18.776 -16.299 1.00 1.14 O ATOM 647 CB ASP A 131 9.069 19.810 -19.321 1.00 1.44 C ATOM 648 CG ASP A 131 7.764 19.215 -19.860 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.299 18.237 -19.295 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.251 19.747 -20.828 1.00 2.07 O1- ATOM 0 H ASP A 131 10.499 21.584 -18.524 1.00 1.18 H new ATOM 0 HA ASP A 131 7.810 20.753 -17.809 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.427 20.594 -19.988 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.843 19.044 -19.286 1.00 1.44 H new ATOM 655 N ASP A 132 10.265 18.972 -16.550 1.00 1.00 N ATOM 656 CA ASP A 132 10.544 17.938 -15.506 1.00 1.03 C ATOM 657 C ASP A 132 9.926 18.367 -14.165 1.00 0.88 C ATOM 658 O ASP A 132 9.466 17.544 -13.395 1.00 1.03 O ATOM 659 CB ASP A 132 12.070 17.876 -15.404 1.00 1.13 C ATOM 660 CG ASP A 132 12.657 17.332 -16.708 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.760 16.124 -16.831 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.005 18.136 -17.559 1.00 1.99 O1- ATOM 0 H ASP A 132 11.093 19.380 -16.984 1.00 1.00 H new ATOM 0 HA ASP A 132 10.117 16.967 -15.757 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.470 18.869 -15.201 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.362 17.238 -14.570 1.00 1.13 H new ATOM 667 N ILE A 133 9.890 19.653 -13.894 1.00 0.75 N ATOM 668 CA ILE A 133 9.272 20.141 -12.617 1.00 0.77 C ATOM 669 C ILE A 133 7.794 19.734 -12.592 1.00 0.70 C ATOM 670 O ILE A 133 7.269 19.301 -11.585 1.00 0.82 O ATOM 671 CB ILE A 133 9.394 21.676 -12.650 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.859 22.099 -12.867 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.891 22.258 -11.327 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.760 21.432 -11.825 1.00 1.00 C ATOM 0 H ILE A 133 10.261 20.384 -14.501 1.00 0.75 H new ATOM 0 HA ILE A 133 9.759 19.723 -11.736 1.00 0.77 H new ATOM 0 HB ILE A 133 8.792 22.055 -13.476 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.181 21.819 -13.870 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.947 23.183 -12.794 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.978 23.344 -11.351 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.847 21.980 -11.181 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.490 21.864 -10.505 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.793 21.738 -11.988 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.446 21.733 -10.826 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.684 20.349 -11.918 1.00 1.00 H new ATOM 686 N GLU A 134 7.131 19.866 -13.713 1.00 0.61 N ATOM 687 CA GLU A 134 5.690 19.491 -13.806 1.00 0.64 C ATOM 688 C GLU A 134 5.525 17.966 -13.927 1.00 0.64 C ATOM 689 O GLU A 134 4.449 17.443 -13.715 1.00 0.76 O ATOM 690 CB GLU A 134 5.193 20.185 -15.076 1.00 0.73 C ATOM 691 CG GLU A 134 4.411 21.444 -14.699 1.00 0.89 C ATOM 692 CD GLU A 134 2.966 21.065 -14.364 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.286 20.562 -15.244 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.564 21.278 -13.233 1.00 1.86 O1- ATOM 0 H GLU A 134 7.534 20.223 -14.579 1.00 0.61 H new ATOM 0 HA GLU A 134 5.131 19.791 -12.920 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.037 20.446 -15.714 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.559 19.508 -15.648 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.878 21.933 -13.844 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.430 22.157 -15.523 1.00 0.89 H new ATOM 701 N GLU A 135 6.578 17.250 -14.264 1.00 0.59 N ATOM 702 CA GLU A 135 6.472 15.760 -14.394 1.00 0.67 C ATOM 703 C GLU A 135 5.950 15.154 -13.089 1.00 0.74 C ATOM 704 O GLU A 135 4.983 14.416 -13.087 1.00 0.91 O ATOM 705 CB GLU A 135 7.893 15.271 -14.690 1.00 0.72 C ATOM 706 CG GLU A 135 7.845 14.171 -15.756 1.00 1.16 C ATOM 707 CD GLU A 135 7.362 14.760 -17.083 1.00 1.56 C ATOM 708 OE1 GLU A 135 8.120 15.491 -17.697 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.236 14.476 -17.459 1.00 2.03 O1- ATOM 0 H GLU A 135 7.503 17.635 -14.454 1.00 0.59 H new ATOM 0 HA GLU A 135 5.778 15.466 -15.181 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.509 16.101 -15.036 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.354 14.889 -13.779 1.00 0.72 H new ATOM 0 HG2 GLU A 135 8.834 13.729 -15.881 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.177 13.371 -15.437 1.00 1.16 H new ATOM 716 N LEU A 136 6.566 15.475 -11.977 1.00 0.73 N ATOM 717 CA LEU A 136 6.081 14.928 -10.674 1.00 0.87 C ATOM 718 C LEU A 136 4.733 15.579 -10.320 1.00 0.81 C ATOM 719 O LEU A 136 3.851 14.938 -9.782 1.00 1.00 O ATOM 720 CB LEU A 136 7.166 15.282 -9.639 1.00 0.99 C ATOM 721 CG LEU A 136 8.486 14.527 -9.923 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.111 14.066 -8.598 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.238 13.301 -10.810 1.00 1.75 C ATOM 0 H LEU A 136 7.379 16.088 -11.916 1.00 0.73 H new ATOM 0 HA LEU A 136 5.920 13.850 -10.705 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.349 16.356 -9.655 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.811 15.034 -8.639 1.00 0.99 H new ATOM 0 HG LEU A 136 9.162 15.206 -10.443 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.041 13.534 -8.800 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.318 14.934 -7.972 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.418 13.402 -8.081 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.182 12.788 -10.994 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.548 12.622 -10.308 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.807 13.620 -11.759 1.00 1.75 H new ATOM 735 N MET A 137 4.562 16.847 -10.630 1.00 0.67 N ATOM 736 CA MET A 137 3.266 17.535 -10.326 1.00 0.71 C ATOM 737 C MET A 137 2.089 16.857 -11.050 1.00 0.68 C ATOM 738 O MET A 137 0.971 16.900 -10.578 1.00 0.70 O ATOM 739 CB MET A 137 3.439 18.970 -10.831 1.00 0.82 C ATOM 740 CG MET A 137 2.379 19.870 -10.187 1.00 0.99 C ATOM 741 SD MET A 137 2.848 20.214 -8.475 1.00 0.94 S ATOM 742 CE MET A 137 1.223 20.739 -7.878 1.00 0.53 C ATOM 0 H MET A 137 5.265 17.433 -11.080 1.00 0.67 H new ATOM 0 HA MET A 137 3.040 17.495 -9.261 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.437 19.334 -10.588 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.345 18.999 -11.917 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.288 20.802 -10.746 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.404 19.383 -10.218 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.347 21.411 -7.029 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.692 21.257 -8.676 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.649 19.865 -7.568 1.00 0.53 H new ATOM 752 N LYS A 138 2.324 16.236 -12.185 1.00 0.76 N ATOM 753 CA LYS A 138 1.202 15.562 -12.921 1.00 0.82 C ATOM 754 C LYS A 138 0.611 14.426 -12.073 1.00 0.72 C ATOM 755 O LYS A 138 -0.588 14.335 -11.896 1.00 0.84 O ATOM 756 CB LYS A 138 1.826 14.993 -14.200 1.00 0.99 C ATOM 757 CG LYS A 138 1.940 16.091 -15.264 1.00 1.57 C ATOM 758 CD LYS A 138 3.266 15.941 -16.024 1.00 2.09 C ATOM 759 CE LYS A 138 3.489 17.166 -16.919 1.00 2.74 C ATOM 760 NZ LYS A 138 4.816 16.950 -17.575 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.239 16.167 -12.631 1.00 0.76 H new ATOM 0 HA LYS A 138 0.392 16.258 -13.140 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.812 14.583 -13.982 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.216 14.172 -14.577 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.102 16.026 -15.959 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.889 17.073 -14.794 1.00 1.57 H new ATOM 0 HD2 LYS A 138 4.091 15.838 -15.319 1.00 2.09 H new ATOM 0 HD3 LYS A 138 3.249 15.035 -16.629 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.696 17.259 -17.661 1.00 2.74 H new ATOM 0 HE3 LYS A 138 3.487 18.085 -16.333 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 5.511 17.614 -17.179 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 5.133 15.974 -17.404 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 4.727 17.111 -18.599 1.00 3.43 H new ATOM 774 N ASP A 139 1.444 13.561 -11.548 1.00 0.75 N ATOM 775 CA ASP A 139 0.923 12.435 -10.714 1.00 0.78 C ATOM 776 C ASP A 139 0.471 12.951 -9.338 1.00 0.70 C ATOM 777 O ASP A 139 -0.497 12.465 -8.782 1.00 0.81 O ATOM 778 CB ASP A 139 2.087 11.445 -10.588 1.00 0.97 C ATOM 779 CG ASP A 139 1.542 10.015 -10.588 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.976 9.617 -11.593 1.00 1.66 O1- ATOM 781 OD2 ASP A 139 1.693 9.343 -9.584 1.00 1.69 O ATOM 0 H ASP A 139 2.457 13.586 -11.660 1.00 0.75 H new ATOM 0 HA ASP A 139 0.051 11.960 -11.163 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.784 11.580 -11.415 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.642 11.634 -9.669 1.00 0.97 H new ATOM 786 N GLY A 140 1.145 13.941 -8.793 1.00 0.64 N ATOM 787 CA GLY A 140 0.730 14.495 -7.467 1.00 0.62 C ATOM 788 C GLY A 140 -0.567 15.291 -7.648 1.00 0.57 C ATOM 789 O GLY A 140 -1.471 15.212 -6.841 1.00 0.65 O ATOM 0 H GLY A 140 1.962 14.386 -9.211 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.580 13.687 -6.751 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.514 15.137 -7.064 1.00 0.62 H new ATOM 793 N ASP A 141 -0.656 16.048 -8.713 1.00 0.56 N ATOM 794 CA ASP A 141 -1.877 16.858 -8.988 1.00 0.56 C ATOM 795 C ASP A 141 -2.353 16.601 -10.424 1.00 0.58 C ATOM 796 O ASP A 141 -1.994 17.317 -11.341 1.00 0.64 O ATOM 797 CB ASP A 141 -1.420 18.316 -8.828 1.00 0.60 C ATOM 798 CG ASP A 141 -2.626 19.241 -8.628 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.712 18.888 -9.058 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.442 20.292 -8.040 1.00 1.23 O1- ATOM 0 H ASP A 141 0.080 16.139 -9.414 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.705 16.613 -8.323 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.745 18.400 -7.976 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.860 18.626 -9.710 1.00 0.60 H new ATOM 805 N LYS A 142 -3.159 15.589 -10.628 1.00 0.62 N ATOM 806 CA LYS A 142 -3.656 15.299 -12.011 1.00 0.70 C ATOM 807 C LYS A 142 -4.618 16.404 -12.480 1.00 0.79 C ATOM 808 O LYS A 142 -4.868 16.553 -13.662 1.00 0.92 O ATOM 809 CB LYS A 142 -4.376 13.952 -11.910 1.00 0.79 C ATOM 810 CG LYS A 142 -3.420 12.830 -12.328 1.00 0.88 C ATOM 811 CD LYS A 142 -3.276 11.829 -11.177 1.00 1.37 C ATOM 812 CE LYS A 142 -2.193 10.803 -11.520 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.747 10.248 -10.209 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.493 14.954 -9.903 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.845 15.265 -12.738 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.722 13.788 -10.890 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.258 13.950 -12.550 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.799 12.326 -13.217 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.446 13.245 -12.588 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.017 12.353 -10.257 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.226 11.324 -11.000 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.586 10.018 -12.166 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -1.364 11.269 -12.052 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.016 9.525 -10.368 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.355 11.013 -9.623 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.558 9.818 -9.720 1.00 2.44 H new ATOM 827 N ASN A 143 -5.140 17.194 -11.568 1.00 0.80 N ATOM 828 CA ASN A 143 -6.065 18.303 -11.971 1.00 0.95 C ATOM 829 C ASN A 143 -5.248 19.554 -12.326 1.00 0.92 C ATOM 830 O ASN A 143 -5.711 20.422 -13.041 1.00 1.08 O ATOM 831 CB ASN A 143 -6.967 18.597 -10.756 1.00 1.07 C ATOM 832 CG ASN A 143 -7.201 17.335 -9.919 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.932 16.452 -10.316 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.606 17.217 -8.764 1.00 1.70 N ATOM 0 H ASN A 143 -4.966 17.119 -10.566 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.659 18.023 -12.841 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.507 19.367 -10.137 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.924 18.992 -11.098 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.756 16.383 -8.196 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -5.991 17.959 -8.429 1.00 1.70 H new ATOM 841 N ASN A 144 -4.035 19.643 -11.820 1.00 0.86 N ATOM 842 CA ASN A 144 -3.156 20.820 -12.098 1.00 0.93 C ATOM 843 C ASN A 144 -3.764 22.109 -11.526 1.00 1.03 C ATOM 844 O ASN A 144 -3.731 23.153 -12.151 1.00 1.71 O ATOM 845 CB ASN A 144 -3.028 20.892 -13.625 1.00 1.08 C ATOM 846 CG ASN A 144 -1.628 21.388 -13.993 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.418 22.571 -14.168 1.00 2.18 O ATOM 848 ND2 ASN A 144 -0.656 20.529 -14.116 1.00 1.97 N ATOM 0 H ASN A 144 -3.615 18.935 -11.217 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.180 20.713 -11.624 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.205 19.910 -14.063 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.783 21.564 -14.033 1.00 1.08 H new ATOM 0 HD21 ASN A 144 0.281 20.850 -14.359 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -0.832 19.535 -13.969 1.00 1.97 H new ATOM 855 N ASP A 145 -4.298 22.048 -10.328 1.00 0.88 N ATOM 856 CA ASP A 145 -4.884 23.281 -9.709 1.00 0.92 C ATOM 857 C ASP A 145 -3.779 24.105 -9.023 1.00 0.91 C ATOM 858 O ASP A 145 -3.886 25.311 -8.904 1.00 1.07 O ATOM 859 CB ASP A 145 -5.952 22.819 -8.691 1.00 0.93 C ATOM 860 CG ASP A 145 -5.463 21.631 -7.854 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.683 21.846 -6.943 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.894 20.524 -8.130 1.00 1.89 O1- ATOM 0 H ASP A 145 -4.353 21.205 -9.756 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.340 23.921 -10.464 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.208 23.648 -8.031 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.863 22.540 -9.221 1.00 0.93 H new ATOM 867 N GLY A 146 -2.712 23.470 -8.589 1.00 0.84 N ATOM 868 CA GLY A 146 -1.597 24.225 -7.932 1.00 0.92 C ATOM 869 C GLY A 146 -1.567 23.951 -6.424 1.00 0.66 C ATOM 870 O GLY A 146 -1.178 24.801 -5.649 1.00 0.74 O ATOM 0 H GLY A 146 -2.567 22.463 -8.662 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.645 23.937 -8.377 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.721 25.293 -8.109 1.00 0.92 H new ATOM 874 N ARG A 147 -1.967 22.777 -5.999 1.00 0.56 N ATOM 875 CA ARG A 147 -1.949 22.464 -4.537 1.00 0.54 C ATOM 876 C ARG A 147 -1.965 20.947 -4.320 1.00 0.46 C ATOM 877 O ARG A 147 -2.761 20.239 -4.906 1.00 0.45 O ATOM 878 CB ARG A 147 -3.217 23.116 -3.974 1.00 0.77 C ATOM 879 CG ARG A 147 -2.912 23.741 -2.611 1.00 1.39 C ATOM 880 CD ARG A 147 -2.958 25.268 -2.720 1.00 1.79 C ATOM 881 NE ARG A 147 -2.004 25.761 -1.682 1.00 2.55 N ATOM 882 CZ ARG A 147 -1.680 27.022 -1.640 1.00 2.87 C ATOM 883 NH1 ARG A 147 -0.966 27.546 -2.594 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -2.074 27.760 -0.645 1.00 3.10 N ATOM 0 H ARG A 147 -2.304 22.025 -6.600 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.053 22.839 -4.042 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.582 23.879 -4.662 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.007 22.372 -3.875 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.637 23.398 -1.873 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.929 23.421 -2.265 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -2.664 25.601 -3.715 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.965 25.646 -2.541 1.00 1.79 H new ATOM 0 HE ARG A 147 -1.606 25.110 -1.005 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -0.659 26.969 -3.377 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -0.714 28.534 -2.559 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -2.636 27.352 0.102 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -1.821 28.748 -0.611 1.00 3.10 H new ATOM 898 N ILE A 148 -1.080 20.444 -3.497 1.00 0.49 N ATOM 899 CA ILE A 148 -1.025 18.967 -3.259 1.00 0.44 C ATOM 900 C ILE A 148 -1.448 18.625 -1.824 1.00 0.46 C ATOM 901 O ILE A 148 -0.913 19.148 -0.865 1.00 0.63 O ATOM 902 CB ILE A 148 0.442 18.583 -3.506 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.886 19.099 -4.880 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.593 17.062 -3.480 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.336 18.687 -5.144 1.00 0.63 C ATOM 0 H ILE A 148 -0.393 20.991 -2.979 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.707 18.422 -3.912 1.00 0.44 H new ATOM 0 HB ILE A 148 1.058 19.027 -2.725 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.237 18.696 -5.657 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.794 20.184 -4.918 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.636 16.797 -3.656 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.281 16.682 -2.507 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.030 16.621 -4.258 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.647 19.056 -6.121 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.981 19.111 -4.374 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.415 17.600 -5.125 1.00 0.63 H new ATOM 917 N ASP A 149 -2.406 17.741 -1.684 1.00 0.48 N ATOM 918 CA ASP A 149 -2.888 17.331 -0.325 1.00 0.53 C ATOM 919 C ASP A 149 -2.426 15.898 -0.015 1.00 0.53 C ATOM 920 O ASP A 149 -1.931 15.199 -0.881 1.00 0.63 O ATOM 921 CB ASP A 149 -4.418 17.404 -0.422 1.00 0.58 C ATOM 922 CG ASP A 149 -5.048 16.963 0.902 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.906 17.685 1.874 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.654 15.906 0.922 1.00 1.65 O1- ATOM 0 H ASP A 149 -2.880 17.281 -2.461 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.499 17.965 0.472 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.727 18.422 -0.660 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.770 16.766 -1.232 1.00 0.58 H new ATOM 929 N TYR A 150 -2.580 15.455 1.211 1.00 0.58 N ATOM 930 CA TYR A 150 -2.146 14.065 1.567 1.00 0.60 C ATOM 931 C TYR A 150 -2.910 13.021 0.734 1.00 0.59 C ATOM 932 O TYR A 150 -2.341 12.032 0.311 1.00 0.63 O ATOM 933 CB TYR A 150 -2.454 13.900 3.058 1.00 0.73 C ATOM 934 CG TYR A 150 -1.468 12.924 3.665 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.734 11.547 3.632 1.00 1.15 C ATOM 936 CD2 TYR A 150 -0.287 13.392 4.256 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.821 10.642 4.188 1.00 1.43 C ATOM 938 CE2 TYR A 150 0.625 12.486 4.811 1.00 1.56 C ATOM 939 CZ TYR A 150 0.359 11.111 4.778 1.00 1.48 C ATOM 940 OH TYR A 150 1.260 10.220 5.326 1.00 1.96 O ATOM 0 H TYR A 150 -2.985 15.993 1.977 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.087 13.914 1.358 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.389 14.863 3.564 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.473 13.537 3.193 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -2.644 11.184 3.177 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -0.080 14.452 4.283 1.00 1.22 H new ATOM 0 HE1 TYR A 150 -1.027 9.582 4.162 1.00 1.43 H new ATOM 0 HE2 TYR A 150 1.535 12.848 5.265 1.00 1.56 H new ATOM 0 HH TYR A 150 1.075 10.114 6.282 1.00 1.96 H new ATOM 950 N ASP A 151 -4.187 13.234 0.488 1.00 0.64 N ATOM 951 CA ASP A 151 -4.969 12.248 -0.333 1.00 0.70 C ATOM 952 C ASP A 151 -4.302 12.074 -1.707 1.00 0.63 C ATOM 953 O ASP A 151 -4.046 10.967 -2.146 1.00 0.77 O ATOM 954 CB ASP A 151 -6.372 12.852 -0.472 1.00 0.79 C ATOM 955 CG ASP A 151 -7.356 11.765 -0.910 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.810 11.024 -0.054 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.635 11.692 -2.094 1.00 1.90 O1- ATOM 0 H ASP A 151 -4.716 14.041 0.818 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.011 11.261 0.128 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.689 13.283 0.477 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.360 13.662 -1.202 1.00 0.79 H new ATOM 962 N GLU A 152 -3.991 13.162 -2.372 1.00 0.54 N ATOM 963 CA GLU A 152 -3.309 13.070 -3.704 1.00 0.56 C ATOM 964 C GLU A 152 -1.868 12.566 -3.514 1.00 0.52 C ATOM 965 O GLU A 152 -1.308 11.922 -4.382 1.00 0.65 O ATOM 966 CB GLU A 152 -3.319 14.497 -4.253 1.00 0.60 C ATOM 967 CG GLU A 152 -4.684 14.786 -4.886 1.00 0.77 C ATOM 968 CD GLU A 152 -4.722 16.222 -5.407 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.797 17.127 -4.592 1.00 1.17 O1- ATOM 970 OE2 GLU A 152 -4.677 16.396 -6.613 1.00 1.40 O ATOM 0 H GLU A 152 -4.180 14.111 -2.050 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.804 12.376 -4.383 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.119 15.209 -3.452 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.529 14.620 -4.993 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.871 14.089 -5.703 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.475 14.636 -4.151 1.00 0.77 H new ATOM 977 N PHE A 153 -1.280 12.841 -2.370 1.00 0.46 N ATOM 978 CA PHE A 153 0.114 12.370 -2.083 1.00 0.46 C ATOM 979 C PHE A 153 0.187 10.843 -2.231 1.00 0.50 C ATOM 980 O PHE A 153 1.143 10.305 -2.756 1.00 0.64 O ATOM 981 CB PHE A 153 0.370 12.791 -0.628 1.00 0.49 C ATOM 982 CG PHE A 153 1.846 13.022 -0.399 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.505 14.054 -1.076 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.554 12.209 0.496 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.870 14.273 -0.860 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.919 12.430 0.711 1.00 0.73 C ATOM 987 CZ PHE A 153 4.576 13.463 0.033 1.00 0.68 C ATOM 0 H PHE A 153 -1.712 13.377 -1.617 1.00 0.46 H new ATOM 0 HA PHE A 153 0.854 12.790 -2.765 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.186 13.701 -0.403 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.007 12.019 0.050 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.960 14.682 -1.765 1.00 0.52 H new ATOM 0 HD2 PHE A 153 2.047 11.412 1.020 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.378 15.069 -1.384 1.00 0.61 H new ATOM 0 HE2 PHE A 153 4.465 11.803 1.400 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.629 13.634 0.200 1.00 0.68 H new ATOM 997 N LEU A 154 -0.833 10.147 -1.783 1.00 0.53 N ATOM 998 CA LEU A 154 -0.856 8.654 -1.905 1.00 0.62 C ATOM 999 C LEU A 154 -0.847 8.246 -3.387 1.00 0.65 C ATOM 1000 O LEU A 154 -0.136 7.344 -3.789 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.176 8.221 -1.248 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.919 7.583 0.125 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.854 6.490 0.003 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.446 8.651 1.116 1.00 1.20 C ATOM 0 H LEU A 154 -1.655 10.553 -1.336 1.00 0.53 H new ATOM 0 HA LEU A 154 0.010 8.189 -1.434 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.832 9.084 -1.136 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.692 7.510 -1.893 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.847 7.141 0.487 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.678 6.043 0.981 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.198 5.722 -0.690 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.073 6.925 -0.369 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.266 8.191 2.088 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.523 9.103 0.751 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.212 9.420 1.215 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.638 8.912 -4.196 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.696 8.584 -5.658 1.00 0.81 C ATOM 1018 C GLU A 155 -0.346 8.860 -6.340 1.00 0.76 C ATOM 1019 O GLU A 155 0.021 8.192 -7.287 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.777 9.511 -6.227 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.038 8.701 -6.552 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.995 8.234 -8.011 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.894 9.080 -8.885 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.066 7.037 -8.229 1.00 2.77 O1- ATOM 0 H GLU A 155 -2.250 9.674 -3.904 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.919 7.530 -5.827 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.013 10.295 -5.507 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.409 10.005 -7.126 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.109 7.840 -5.887 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.926 9.310 -6.382 1.00 1.41 H new ATOM 1031 N PHE A 156 0.386 9.842 -5.872 1.00 0.66 N ATOM 1032 CA PHE A 156 1.705 10.169 -6.498 1.00 0.77 C ATOM 1033 C PHE A 156 2.762 9.095 -6.186 1.00 0.71 C ATOM 1034 O PHE A 156 3.575 8.765 -7.028 1.00 0.88 O ATOM 1035 CB PHE A 156 2.116 11.511 -5.887 1.00 0.84 C ATOM 1036 CG PHE A 156 3.492 11.881 -6.383 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.653 12.418 -7.662 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.606 11.672 -5.568 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.928 12.748 -8.127 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.881 12.004 -6.031 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.042 12.542 -7.312 1.00 1.53 C ATOM 0 H PHE A 156 0.126 10.432 -5.082 1.00 0.66 H new ATOM 0 HA PHE A 156 1.626 10.211 -7.584 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.398 12.284 -6.160 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.114 11.445 -4.799 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.791 12.578 -8.292 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.482 11.254 -4.580 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.052 13.162 -9.117 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.743 11.845 -5.400 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.028 12.798 -7.670 1.00 1.53 H new ATOM 1051 N MET A 157 2.773 8.562 -4.984 1.00 0.61 N ATOM 1052 CA MET A 157 3.798 7.522 -4.621 1.00 0.69 C ATOM 1053 C MET A 157 3.837 6.380 -5.651 1.00 0.83 C ATOM 1054 O MET A 157 4.868 5.772 -5.865 1.00 1.17 O ATOM 1055 CB MET A 157 3.370 6.980 -3.258 1.00 0.84 C ATOM 1056 CG MET A 157 3.772 7.963 -2.157 1.00 0.92 C ATOM 1057 SD MET A 157 5.382 7.483 -1.480 1.00 1.56 S ATOM 1058 CE MET A 157 6.340 8.847 -2.183 1.00 0.90 C ATOM 0 H MET A 157 2.119 8.801 -4.239 1.00 0.61 H new ATOM 0 HA MET A 157 4.798 7.956 -4.601 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.291 6.823 -3.242 1.00 0.84 H new ATOM 0 HB3 MET A 157 3.836 6.011 -3.080 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.821 8.975 -2.558 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.020 7.969 -1.368 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.257 8.458 -2.624 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.751 9.347 -2.952 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.589 9.560 -1.397 1.00 0.90 H new ATOM 1068 N LYS A 158 2.728 6.079 -6.282 1.00 0.86 N ATOM 1069 CA LYS A 158 2.713 4.973 -7.294 1.00 1.07 C ATOM 1070 C LYS A 158 3.466 5.396 -8.565 1.00 1.36 C ATOM 1071 O LYS A 158 4.154 4.602 -9.177 1.00 1.73 O ATOM 1072 CB LYS A 158 1.234 4.728 -7.611 1.00 1.28 C ATOM 1073 CG LYS A 158 0.496 4.275 -6.346 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.665 5.232 -6.056 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.802 4.992 -7.058 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.533 5.914 -8.202 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.834 6.549 -6.141 1.00 0.86 H new ATOM 0 HA LYS A 158 3.202 4.075 -6.916 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.781 5.640 -8.000 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.141 3.969 -8.388 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.120 3.260 -6.476 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.183 4.254 -5.500 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.027 5.081 -5.039 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.322 6.264 -6.122 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.820 3.953 -7.388 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.772 5.200 -6.607 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.433 6.285 -8.568 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.938 6.704 -7.879 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.040 5.396 -8.957 1.00 3.52 H new ATOM 1090 N GLY A 159 3.335 6.638 -8.969 1.00 1.73 N ATOM 1091 CA GLY A 159 4.037 7.109 -10.203 1.00 2.35 C ATOM 1092 C GLY A 159 5.504 7.425 -9.891 1.00 2.13 C ATOM 1093 O GLY A 159 6.395 7.051 -10.632 1.00 2.59 O ATOM 0 H GLY A 159 2.772 7.345 -8.496 1.00 1.73 H new ATOM 0 HA2 GLY A 159 3.979 6.344 -10.977 1.00 2.35 H new ATOM 0 HA3 GLY A 159 3.542 7.997 -10.595 1.00 2.35 H new ATOM 1097 N VAL A 160 5.764 8.110 -8.804 1.00 1.87 N ATOM 1098 CA VAL A 160 7.179 8.449 -8.449 1.00 1.87 C ATOM 1099 C VAL A 160 7.913 7.218 -7.893 1.00 2.39 C ATOM 1100 O VAL A 160 9.121 7.113 -8.003 1.00 3.11 O ATOM 1101 CB VAL A 160 7.080 9.561 -7.394 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.823 8.962 -6.006 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.392 10.352 -7.371 1.00 1.76 C ATOM 0 H VAL A 160 5.060 8.449 -8.148 1.00 1.87 H new ATOM 0 HA VAL A 160 7.749 8.774 -9.319 1.00 1.87 H new ATOM 0 HB VAL A 160 6.251 10.220 -7.651 1.00 1.68 H new ATOM 0 HG11 VAL A 160 6.756 9.764 -5.271 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.888 8.402 -6.019 1.00 1.89 H new ATOM 0 HG13 VAL A 160 7.642 8.294 -5.741 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.327 11.143 -6.624 1.00 1.76 H new ATOM 0 HG22 VAL A 160 9.216 9.683 -7.121 1.00 1.76 H new ATOM 0 HG23 VAL A 160 8.568 10.793 -8.352 1.00 1.76 H new ATOM 1113 N GLU A 161 7.190 6.290 -7.301 1.00 2.52 N ATOM 1114 CA GLU A 161 7.828 5.059 -6.732 1.00 3.28 C ATOM 1115 C GLU A 161 8.856 5.439 -5.646 1.00 3.90 C ATOM 1116 O GLU A 161 8.537 6.287 -4.828 1.00 4.34 O ATOM 1117 CB GLU A 161 8.491 4.361 -7.933 1.00 3.49 C ATOM 1118 CG GLU A 161 7.746 3.060 -8.249 1.00 4.11 C ATOM 1119 CD GLU A 161 8.315 1.921 -7.400 1.00 4.29 C ATOM 1120 OE1 GLU A 161 8.026 1.887 -6.215 1.00 4.60 O ATOM 1121 OE2 GLU A 161 9.027 1.098 -7.951 1.00 4.56 O ATOM 1122 OXT GLU A 161 9.934 4.865 -5.635 1.00 4.37 O ATOM 0 H GLU A 161 6.177 6.336 -7.188 1.00 2.52 H new ATOM 0 HA GLU A 161 7.109 4.401 -6.244 1.00 3.28 H new ATOM 0 HB2 GLU A 161 8.478 5.019 -8.802 1.00 3.49 H new ATOM 0 HB3 GLU A 161 9.537 4.148 -7.711 1.00 3.49 H new ATOM 0 HG2 GLU A 161 6.682 3.181 -8.047 1.00 4.11 H new ATOM 0 HG3 GLU A 161 7.844 2.821 -9.308 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 2.524 24.880 0.359 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.432 19.099 -6.409 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.730 11.861 -1.797 1.00 20.00 C HETATM 1133 C2 STL A 162 13.317 10.728 -2.393 1.00 20.00 C HETATM 1134 C3 STL A 162 12.840 10.253 -3.624 1.00 20.00 C HETATM 1135 C4 STL A 162 11.772 10.910 -4.265 1.00 20.00 C HETATM 1136 C5 STL A 162 11.172 12.035 -3.675 1.00 20.00 C HETATM 1137 C6 STL A 162 11.657 12.518 -2.446 1.00 20.00 C HETATM 1138 C7 STL A 162 10.086 12.683 -4.250 1.00 20.00 C HETATM 1139 C8 STL A 162 8.978 13.185 -3.544 1.00 20.00 C HETATM 1140 C9 STL A 162 7.868 13.850 -4.049 1.00 20.00 C HETATM 1141 C10 STL A 162 7.886 14.578 -5.263 1.00 20.00 C HETATM 1142 C11 STL A 162 6.719 15.254 -5.695 1.00 20.00 C HETATM 1143 C12 STL A 162 5.560 15.173 -4.888 1.00 20.00 C HETATM 1144 C13 STL A 162 5.533 14.445 -3.677 1.00 20.00 C HETATM 1145 C14 STL A 162 6.696 13.779 -3.256 1.00 20.00 C HETATM 1146 O1 STL A 162 4.433 15.813 -5.290 1.00 20.00 O HETATM 1147 O2 STL A 162 13.400 9.160 -4.206 1.00 20.00 O HETATM 1148 O3 STL A 162 13.188 12.323 -0.610 1.00 20.00 O HETATM 0 HO3 STL A 162 12.671 13.112 -0.345 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.945 8.971 -5.053 1.00 20.00 H new HETATM 0 HO1 STL A 162 3.721 15.664 -4.634 1.00 20.00 H new HETATM 0 H8 STL A 162 8.992 13.033 -2.465 1.00 20.00 H new HETATM 0 H7 STL A 162 10.093 12.812 -5.332 1.00 20.00 H new HETATM 0 H6 STL A 162 11.206 13.400 -1.992 1.00 20.00 H new HETATM 0 H4 STL A 162 11.409 10.543 -5.225 1.00 20.00 H new HETATM 0 H2 STL A 162 14.144 10.219 -1.897 1.00 20.00 H new HETATM 0 H14 STL A 162 6.697 13.211 -2.325 1.00 20.00 H new HETATM 0 H13 STL A 162 4.623 14.401 -3.078 1.00 20.00 H new HETATM 0 H11 STL A 162 6.714 15.822 -6.625 1.00 20.00 H new HETATM 0 H10 STL A 162 8.795 14.618 -5.863 1.00 20.00 H new