USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 158 ASN : amide:sc= 0.0144 X(o=0.014,f=0) USER MOD Set 2.1: A 110 THR OG1 : rot -70:sc= 0.447 USER MOD Set 2.2: A 113 HIS :FLIP no HD1:sc= 0.44 F(o=-0.45,f=0.89) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.638 F(o=-1.4,f=-0.64) USER MOD Single : A 100 SER OG : rot 180:sc= -0.237 USER MOD Single : A 101 SER OG : rot -114:sc= 0.004 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0.235 K(o=0.24,f=-5.9!) USER MOD Single : A 115 LYS NZ :NH3+ -152:sc= 2.74 (180deg=0.536!) USER MOD Single : A 116 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.058) USER MOD Single : A 117 GLN :FLIP amide:sc=-0.00781 F(o=-1.4,f=-0.0078) USER MOD Single : A 119 SER OG : rot 68:sc= 0.778 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.978 F(o=-1.8,f=-0.98) USER MOD Single : A 136 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.954) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.9 F(o=-1.5!,f=-0.9) USER MOD Single : A 147 TYR OH : rot -146:sc= 0.131 USER MOD Single : A 150 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0272) USER MOD Single : A 153 SER OG : rot -137:sc= -1.58! USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 164:sc= -0.0443 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 88 12.133 -9.311 -3.381 1.00 0.00 N ATOM 29 CA PRO A 88 11.255 -8.213 -3.035 1.00 0.00 C ATOM 30 C PRO A 88 10.145 -8.029 -4.068 1.00 0.00 C ATOM 31 O PRO A 88 10.176 -8.629 -5.142 1.00 0.00 O ATOM 32 CB PRO A 88 12.215 -7.023 -3.060 1.00 0.00 C ATOM 33 CG PRO A 88 13.266 -7.383 -4.073 1.00 0.00 C ATOM 34 CD PRO A 88 13.143 -8.868 -4.350 1.00 0.00 C ATOM 0 HA PRO A 88 10.738 -8.356 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.697 -6.106 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.657 -6.853 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.127 -6.809 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.260 -7.145 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.828 -9.061 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 88 14.092 -9.384 -4.206 1.00 0.00 H new ATOM 42 N LEU A 89 9.161 -7.211 -3.747 1.00 0.00 N ATOM 43 CA LEU A 89 8.099 -6.904 -4.686 1.00 0.00 C ATOM 44 C LEU A 89 7.991 -5.399 -4.876 1.00 0.00 C ATOM 45 O LEU A 89 7.656 -4.657 -3.952 1.00 0.00 O ATOM 46 CB LEU A 89 6.772 -7.499 -4.215 1.00 0.00 C ATOM 47 CG LEU A 89 5.584 -7.278 -5.151 1.00 0.00 C ATOM 48 CD1 LEU A 89 5.927 -7.676 -6.582 1.00 0.00 C ATOM 49 CD2 LEU A 89 4.385 -8.068 -4.662 1.00 0.00 C ATOM 0 H LEU A 89 9.075 -6.747 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 89 8.339 -7.355 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.905 -8.571 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.529 -7.075 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 89 5.341 -6.215 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.062 -7.507 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.764 -7.075 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.200 -8.731 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.543 -7.905 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.632 -9.129 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.117 -7.738 -3.658 1.00 0.00 H new ATOM 61 N SER A 90 8.306 -4.962 -6.078 1.00 0.00 N ATOM 62 CA SER A 90 8.306 -3.553 -6.409 1.00 0.00 C ATOM 63 C SER A 90 6.957 -3.162 -7.006 1.00 0.00 C ATOM 64 O SER A 90 6.608 -3.601 -8.101 1.00 0.00 O ATOM 65 CB SER A 90 9.440 -3.273 -7.397 1.00 0.00 C ATOM 66 OG SER A 90 9.625 -1.885 -7.608 1.00 0.00 O ATOM 0 H SER A 90 8.569 -5.573 -6.851 1.00 0.00 H new ATOM 0 HA SER A 90 8.465 -2.958 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.365 -3.710 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.221 -3.759 -8.348 1.00 0.00 H new ATOM 0 HG SER A 90 10.358 -1.746 -8.243 1.00 0.00 H new ATOM 72 N ILE A 91 6.196 -2.359 -6.272 1.00 0.00 N ATOM 73 CA ILE A 91 4.873 -1.943 -6.715 1.00 0.00 C ATOM 74 C ILE A 91 4.833 -0.440 -6.954 1.00 0.00 C ATOM 75 O ILE A 91 5.692 0.300 -6.473 1.00 0.00 O ATOM 76 CB ILE A 91 3.779 -2.323 -5.692 1.00 0.00 C ATOM 77 CG1 ILE A 91 4.075 -1.693 -4.324 1.00 0.00 C ATOM 78 CG2 ILE A 91 3.667 -3.838 -5.576 1.00 0.00 C ATOM 79 CD1 ILE A 91 2.980 -1.911 -3.302 1.00 0.00 C ATOM 0 H ILE A 91 6.474 -1.983 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 91 4.672 -2.469 -7.649 1.00 0.00 H new ATOM 0 HB ILE A 91 2.824 -1.933 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.007 -2.106 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.230 -0.622 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.893 -4.091 -4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.407 -4.259 -6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.621 -4.249 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.261 -1.437 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.050 -1.473 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.839 -2.980 -3.142 1.00 0.00 H new ATOM 91 N LEU A 92 3.833 0.014 -7.690 1.00 0.00 N ATOM 92 CA LEU A 92 3.707 1.425 -8.003 1.00 0.00 C ATOM 93 C LEU A 92 2.510 2.027 -7.280 1.00 0.00 C ATOM 94 O LEU A 92 1.360 1.815 -7.667 1.00 0.00 O ATOM 95 CB LEU A 92 3.571 1.630 -9.514 1.00 0.00 C ATOM 96 CG LEU A 92 3.546 3.089 -9.970 1.00 0.00 C ATOM 97 CD1 LEU A 92 4.838 3.795 -9.595 1.00 0.00 C ATOM 98 CD2 LEU A 92 3.318 3.173 -11.465 1.00 0.00 C ATOM 0 H LEU A 92 3.097 -0.574 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 92 4.610 1.933 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.400 1.125 -10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.655 1.145 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 92 2.722 3.589 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.797 4.831 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.967 3.768 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.679 3.293 -10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.303 4.219 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.122 2.653 -11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.364 2.708 -11.714 1.00 0.00 H new ATOM 110 N VAL A 93 2.787 2.771 -6.225 1.00 0.00 N ATOM 111 CA VAL A 93 1.742 3.424 -5.464 1.00 0.00 C ATOM 112 C VAL A 93 1.659 4.892 -5.857 1.00 0.00 C ATOM 113 O VAL A 93 2.606 5.657 -5.667 1.00 0.00 O ATOM 114 CB VAL A 93 1.977 3.303 -3.942 1.00 0.00 C ATOM 115 CG1 VAL A 93 0.887 4.024 -3.165 1.00 0.00 C ATOM 116 CG2 VAL A 93 2.045 1.841 -3.526 1.00 0.00 C ATOM 0 H VAL A 93 3.731 2.937 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 93 0.801 2.924 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 93 2.931 3.776 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.075 3.924 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.885 5.080 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.082 3.586 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.211 1.776 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.107 1.347 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.866 1.351 -4.050 1.00 0.00 H new ATOM 126 N ARG A 94 0.535 5.271 -6.431 1.00 0.00 N ATOM 127 CA ARG A 94 0.333 6.636 -6.875 1.00 0.00 C ATOM 128 C ARG A 94 -0.584 7.362 -5.913 1.00 0.00 C ATOM 129 O ARG A 94 -1.387 6.739 -5.229 1.00 0.00 O ATOM 130 CB ARG A 94 -0.282 6.669 -8.274 1.00 0.00 C ATOM 131 CG ARG A 94 0.522 5.920 -9.319 1.00 0.00 C ATOM 132 CD ARG A 94 -0.052 6.122 -10.712 1.00 0.00 C ATOM 133 NE ARG A 94 0.060 7.513 -11.146 1.00 0.00 N ATOM 134 CZ ARG A 94 -0.323 7.961 -12.339 1.00 0.00 C ATOM 135 NH1 ARG A 94 -0.883 7.133 -13.216 1.00 0.00 N ATOM 136 NH2 ARG A 94 -0.139 9.239 -12.654 1.00 0.00 N ATOM 0 H ARG A 94 -0.256 4.650 -6.602 1.00 0.00 H new ATOM 0 HA ARG A 94 1.305 7.129 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.285 6.244 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.389 7.707 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.557 6.262 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.532 4.857 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.471 5.477 -11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.100 5.821 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 94 0.458 8.185 -10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.020 6.151 -12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.176 7.480 -14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.294 9.873 -11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.431 9.586 -13.567 1.00 0.00 H new ATOM 150 N ASN A 95 -0.460 8.671 -5.860 1.00 0.00 N ATOM 151 CA ASN A 95 -1.353 9.481 -5.043 1.00 0.00 C ATOM 152 C ASN A 95 -2.365 10.191 -5.928 1.00 0.00 C ATOM 153 O ASN A 95 -2.187 10.270 -7.145 1.00 0.00 O ATOM 154 CB ASN A 95 -0.579 10.497 -4.190 1.00 0.00 C ATOM 155 CG ASN A 95 0.457 11.270 -4.979 1.00 0.00 C ATOM 156 OD1 ASN A 95 1.704 10.838 -4.884 1.00 0.00 O flip ATOM 157 ND2 ASN A 95 0.148 12.260 -5.643 1.00 0.00 N flip ATOM 0 H ASN A 95 0.247 9.201 -6.370 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.879 8.815 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.284 11.198 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.086 9.974 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.826 12.559 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.866 12.781 -6.147 1.00 0.00 H new ATOM 207 N ARG A 99 1.267 12.101 -8.767 1.00 0.00 N ATOM 208 CA ARG A 99 2.617 11.568 -8.627 1.00 0.00 C ATOM 209 C ARG A 99 2.609 10.062 -8.379 1.00 0.00 C ATOM 210 O ARG A 99 1.748 9.537 -7.671 1.00 0.00 O ATOM 211 CB ARG A 99 3.361 12.275 -7.494 1.00 0.00 C ATOM 212 CG ARG A 99 4.029 13.577 -7.912 1.00 0.00 C ATOM 213 CD ARG A 99 5.093 13.337 -8.970 1.00 0.00 C ATOM 214 NE ARG A 99 5.894 14.531 -9.224 1.00 0.00 N ATOM 215 CZ ARG A 99 6.507 14.784 -10.377 1.00 0.00 C ATOM 216 NH1 ARG A 99 6.375 13.947 -11.403 1.00 0.00 N ATOM 217 NH2 ARG A 99 7.248 15.880 -10.508 1.00 0.00 N ATOM 0 HA ARG A 99 3.135 11.753 -9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.660 12.481 -6.685 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.119 11.601 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.278 14.266 -8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.480 14.053 -7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.745 12.525 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.617 13.017 -9.897 1.00 0.00 H new ATOM 0 HE ARG A 99 5.989 15.213 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.802 13.108 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.846 14.144 -12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.346 16.526 -9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.718 16.075 -11.392 1.00 0.00 H new ATOM 231 N SER A 100 3.578 9.382 -8.971 1.00 0.00 N ATOM 232 CA SER A 100 3.710 7.942 -8.828 1.00 0.00 C ATOM 233 C SER A 100 4.968 7.611 -8.035 1.00 0.00 C ATOM 234 O SER A 100 6.043 8.139 -8.324 1.00 0.00 O ATOM 235 CB SER A 100 3.784 7.298 -10.212 1.00 0.00 C ATOM 236 OG SER A 100 2.835 7.881 -11.086 1.00 0.00 O ATOM 0 H SER A 100 4.291 9.810 -9.561 1.00 0.00 H new ATOM 0 HA SER A 100 2.844 7.552 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.787 7.420 -10.622 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.601 6.227 -10.130 1.00 0.00 H new ATOM 0 HG SER A 100 2.898 7.457 -11.967 1.00 0.00 H new ATOM 242 N SER A 101 4.839 6.759 -7.036 1.00 0.00 N ATOM 243 CA SER A 101 5.983 6.356 -6.246 1.00 0.00 C ATOM 244 C SER A 101 6.108 4.839 -6.241 1.00 0.00 C ATOM 245 O SER A 101 5.138 4.125 -5.992 1.00 0.00 O ATOM 246 CB SER A 101 5.860 6.894 -4.821 1.00 0.00 C ATOM 247 OG SER A 101 7.054 6.674 -4.091 1.00 0.00 O ATOM 0 H SER A 101 3.955 6.334 -6.754 1.00 0.00 H new ATOM 0 HA SER A 101 6.885 6.775 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.638 7.961 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.026 6.408 -4.316 1.00 0.00 H new ATOM 0 HG SER A 101 6.882 6.038 -3.366 1.00 0.00 H new ATOM 253 N THR A 102 7.299 4.354 -6.530 1.00 0.00 N ATOM 254 CA THR A 102 7.543 2.928 -6.592 1.00 0.00 C ATOM 255 C THR A 102 8.020 2.412 -5.233 1.00 0.00 C ATOM 256 O THR A 102 9.149 2.679 -4.818 1.00 0.00 O ATOM 257 CB THR A 102 8.595 2.602 -7.668 1.00 0.00 C ATOM 258 OG1 THR A 102 8.266 3.283 -8.885 1.00 0.00 O ATOM 259 CG2 THR A 102 8.663 1.105 -7.930 1.00 0.00 C ATOM 0 H THR A 102 8.117 4.931 -6.727 1.00 0.00 H new ATOM 0 HA THR A 102 6.607 2.435 -6.855 1.00 0.00 H new ATOM 0 HB THR A 102 9.568 2.935 -7.306 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.938 3.076 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.414 0.903 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.933 0.586 -7.010 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.691 0.751 -8.274 1.00 0.00 H new ATOM 267 N TYR A 103 7.150 1.691 -4.538 1.00 0.00 N ATOM 268 CA TYR A 103 7.486 1.138 -3.231 1.00 0.00 C ATOM 269 C TYR A 103 7.984 -0.293 -3.376 1.00 0.00 C ATOM 270 O TYR A 103 7.374 -1.105 -4.072 1.00 0.00 O ATOM 271 CB TYR A 103 6.269 1.160 -2.296 1.00 0.00 C ATOM 272 CG TYR A 103 5.819 2.542 -1.866 1.00 0.00 C ATOM 273 CD1 TYR A 103 5.191 3.400 -2.758 1.00 0.00 C ATOM 274 CD2 TYR A 103 6.013 2.984 -0.560 1.00 0.00 C ATOM 275 CE1 TYR A 103 4.768 4.655 -2.366 1.00 0.00 C ATOM 276 CE2 TYR A 103 5.588 4.238 -0.161 1.00 0.00 C ATOM 277 CZ TYR A 103 4.969 5.069 -1.068 1.00 0.00 C ATOM 278 OH TYR A 103 4.537 6.317 -0.675 1.00 0.00 O ATOM 0 H TYR A 103 6.206 1.475 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 103 8.273 1.756 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.437 0.662 -2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 103 6.503 0.577 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.030 3.081 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.503 2.337 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.282 5.309 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.741 4.564 0.857 1.00 0.00 H new ATOM 0 HH TYR A 103 4.754 6.455 0.271 1.00 0.00 H new ATOM 288 N GLU A 104 9.093 -0.601 -2.725 1.00 0.00 N ATOM 289 CA GLU A 104 9.635 -1.946 -2.756 1.00 0.00 C ATOM 290 C GLU A 104 9.342 -2.643 -1.443 1.00 0.00 C ATOM 291 O GLU A 104 10.011 -2.417 -0.435 1.00 0.00 O ATOM 292 CB GLU A 104 11.133 -1.919 -3.044 1.00 0.00 C ATOM 293 CG GLU A 104 11.456 -1.285 -4.383 1.00 0.00 C ATOM 294 CD GLU A 104 12.942 -1.179 -4.637 1.00 0.00 C ATOM 295 OE1 GLU A 104 13.588 -0.283 -4.058 1.00 0.00 O ATOM 296 OE2 GLU A 104 13.471 -1.987 -5.422 1.00 0.00 O ATOM 0 H GLU A 104 9.634 0.062 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 104 9.157 -2.504 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.642 -1.368 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.522 -2.937 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.997 -1.872 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.013 -0.290 -4.425 1.00 0.00 H new ATOM 303 N VAL A 105 8.314 -3.467 -1.467 1.00 0.00 N ATOM 304 CA VAL A 105 7.819 -4.125 -0.271 1.00 0.00 C ATOM 305 C VAL A 105 8.000 -5.633 -0.369 1.00 0.00 C ATOM 306 O VAL A 105 8.526 -6.140 -1.359 1.00 0.00 O ATOM 307 CB VAL A 105 6.328 -3.809 -0.035 1.00 0.00 C ATOM 308 CG1 VAL A 105 6.127 -2.318 0.169 1.00 0.00 C ATOM 309 CG2 VAL A 105 5.475 -4.309 -1.194 1.00 0.00 C ATOM 0 H VAL A 105 7.797 -3.700 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 105 8.399 -3.744 0.570 1.00 0.00 H new ATOM 0 HB VAL A 105 6.010 -4.329 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.069 -2.113 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.700 -1.989 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.467 -1.781 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.428 -4.074 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.794 -3.823 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.592 -5.388 -1.293 1.00 0.00 H new ATOM 319 N ARG A 106 7.580 -6.341 0.664 1.00 0.00 N ATOM 320 CA ARG A 106 7.618 -7.794 0.654 1.00 0.00 C ATOM 321 C ARG A 106 6.211 -8.351 0.806 1.00 0.00 C ATOM 322 O ARG A 106 5.352 -7.723 1.424 1.00 0.00 O ATOM 323 CB ARG A 106 8.527 -8.321 1.767 1.00 0.00 C ATOM 324 CG ARG A 106 9.985 -7.927 1.590 1.00 0.00 C ATOM 325 CD ARG A 106 10.853 -8.502 2.692 1.00 0.00 C ATOM 326 NE ARG A 106 12.263 -8.150 2.534 1.00 0.00 N ATOM 327 CZ ARG A 106 13.228 -8.557 3.363 1.00 0.00 C ATOM 328 NH1 ARG A 106 12.931 -9.325 4.404 1.00 0.00 N ATOM 329 NH2 ARG A 106 14.489 -8.201 3.150 1.00 0.00 N ATOM 0 H ARG A 106 7.208 -5.934 1.522 1.00 0.00 H new ATOM 0 HA ARG A 106 8.027 -8.125 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.170 -7.946 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.453 -9.408 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.343 -8.278 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.072 -6.840 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.497 -8.140 3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.751 -9.587 2.701 1.00 0.00 H new ATOM 0 HE ARG A 106 12.525 -7.559 1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.965 -9.605 4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.669 -9.635 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.725 -7.614 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.222 -8.515 3.786 1.00 0.00 H new ATOM 343 N LEU A 107 5.983 -9.537 0.253 1.00 0.00 N ATOM 344 CA LEU A 107 4.655 -10.144 0.248 1.00 0.00 C ATOM 345 C LEU A 107 4.229 -10.553 1.655 1.00 0.00 C ATOM 346 O LEU A 107 3.063 -10.851 1.897 1.00 0.00 O ATOM 347 CB LEU A 107 4.605 -11.364 -0.684 1.00 0.00 C ATOM 348 CG LEU A 107 4.783 -11.075 -2.181 1.00 0.00 C ATOM 349 CD1 LEU A 107 6.243 -10.819 -2.528 1.00 0.00 C ATOM 350 CD2 LEU A 107 4.228 -12.219 -3.016 1.00 0.00 C ATOM 0 H LEU A 107 6.703 -10.100 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 107 3.959 -9.391 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.381 -12.065 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.648 -11.866 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 107 4.222 -10.170 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.333 -10.618 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.605 -9.959 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.837 -11.697 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.363 -11.996 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.757 -13.140 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.166 -12.342 -2.804 1.00 0.00 H new ATOM 362 N THR A 108 5.186 -10.562 2.574 1.00 0.00 N ATOM 363 CA THR A 108 4.924 -10.912 3.961 1.00 0.00 C ATOM 364 C THR A 108 4.204 -9.771 4.684 1.00 0.00 C ATOM 365 O THR A 108 3.668 -9.947 5.780 1.00 0.00 O ATOM 366 CB THR A 108 6.247 -11.224 4.682 1.00 0.00 C ATOM 367 OG1 THR A 108 7.102 -11.959 3.798 1.00 0.00 O ATOM 368 CG2 THR A 108 6.008 -12.036 5.947 1.00 0.00 C ATOM 0 H THR A 108 6.160 -10.328 2.379 1.00 0.00 H new ATOM 0 HA THR A 108 4.283 -11.793 3.975 1.00 0.00 H new ATOM 0 HB THR A 108 6.716 -10.282 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.947 -12.159 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 108 6.962 -12.240 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 108 5.368 -11.472 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.523 -12.978 5.689 1.00 0.00 H new ATOM 376 N GLN A 109 4.197 -8.598 4.064 1.00 0.00 N ATOM 377 CA GLN A 109 3.551 -7.435 4.647 1.00 0.00 C ATOM 378 C GLN A 109 2.069 -7.419 4.313 1.00 0.00 C ATOM 379 O GLN A 109 1.662 -7.835 3.231 1.00 0.00 O ATOM 380 CB GLN A 109 4.201 -6.148 4.139 1.00 0.00 C ATOM 381 CG GLN A 109 5.621 -5.936 4.635 1.00 0.00 C ATOM 382 CD GLN A 109 6.251 -4.694 4.037 1.00 0.00 C ATOM 383 OE1 GLN A 109 6.898 -4.760 2.994 1.00 0.00 O ATOM 384 NE2 GLN A 109 6.058 -3.553 4.684 1.00 0.00 N ATOM 0 H GLN A 109 4.632 -8.429 3.157 1.00 0.00 H new ATOM 0 HA GLN A 109 3.671 -7.494 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.206 -6.161 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 109 3.590 -5.299 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.617 -5.853 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.227 -6.807 4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.514 -3.542 5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.453 -2.686 4.319 1.00 0.00 H new ATOM 393 N THR A 110 1.268 -6.954 5.254 1.00 0.00 N ATOM 394 CA THR A 110 -0.145 -6.749 5.014 1.00 0.00 C ATOM 395 C THR A 110 -0.384 -5.308 4.597 1.00 0.00 C ATOM 396 O THR A 110 0.556 -4.504 4.584 1.00 0.00 O ATOM 397 CB THR A 110 -0.974 -7.079 6.267 1.00 0.00 C ATOM 398 OG1 THR A 110 -0.661 -6.162 7.321 1.00 0.00 O ATOM 399 CG2 THR A 110 -0.697 -8.500 6.732 1.00 0.00 C ATOM 0 H THR A 110 1.576 -6.711 6.196 1.00 0.00 H new ATOM 0 HA THR A 110 -0.462 -7.420 4.215 1.00 0.00 H new ATOM 0 HB THR A 110 -2.030 -6.990 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.246 -6.337 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.292 -8.715 7.619 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.961 -9.200 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.361 -8.605 6.971 1.00 0.00 H new ATOM 407 N VAL A 111 -1.622 -4.983 4.253 1.00 0.00 N ATOM 408 CA VAL A 111 -1.978 -3.616 3.900 1.00 0.00 C ATOM 409 C VAL A 111 -1.582 -2.679 5.036 1.00 0.00 C ATOM 410 O VAL A 111 -1.040 -1.598 4.811 1.00 0.00 O ATOM 411 CB VAL A 111 -3.491 -3.481 3.617 1.00 0.00 C ATOM 412 CG1 VAL A 111 -3.839 -2.067 3.169 1.00 0.00 C ATOM 413 CG2 VAL A 111 -3.931 -4.499 2.575 1.00 0.00 C ATOM 0 H VAL A 111 -2.396 -5.646 4.211 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.441 -3.348 2.990 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.029 -3.681 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.910 -1.999 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.566 -1.360 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.291 -1.829 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.999 -4.390 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.381 -4.332 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.728 -5.505 2.941 1.00 0.00 H new ATOM 423 N ALA A 112 -1.833 -3.137 6.256 1.00 0.00 N ATOM 424 CA ALA A 112 -1.473 -2.409 7.462 1.00 0.00 C ATOM 425 C ALA A 112 0.026 -2.142 7.539 1.00 0.00 C ATOM 426 O ALA A 112 0.449 -1.042 7.879 1.00 0.00 O ATOM 427 CB ALA A 112 -1.906 -3.210 8.674 1.00 0.00 C ATOM 0 H ALA A 112 -2.294 -4.029 6.436 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.981 -1.445 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.639 -2.669 9.582 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.985 -3.359 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.406 -4.178 8.668 1.00 0.00 H new ATOM 433 N HIS A 113 0.824 -3.147 7.200 1.00 0.00 N ATOM 434 CA HIS A 113 2.275 -3.069 7.389 1.00 0.00 C ATOM 435 C HIS A 113 2.920 -2.071 6.431 1.00 0.00 C ATOM 436 O HIS A 113 3.996 -1.552 6.706 1.00 0.00 O ATOM 437 CB HIS A 113 2.921 -4.452 7.246 1.00 0.00 C ATOM 438 CG HIS A 113 2.675 -5.360 8.419 1.00 0.00 C ATOM 439 ND1 HIS A 113 1.569 -5.545 9.179 1.00 0.00 N flip ATOM 440 CD2 HIS A 113 3.629 -6.220 8.924 1.00 0.00 C flip ATOM 441 CE1 HIS A 113 1.868 -6.506 10.112 1.00 0.00 C flip ATOM 442 NE2 HIS A 113 3.116 -6.896 9.937 1.00 0.00 N flip ATOM 0 H HIS A 113 0.497 -4.024 6.794 1.00 0.00 H new ATOM 0 HA HIS A 113 2.450 -2.709 8.403 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.540 -4.929 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 113 3.996 -4.329 7.113 1.00 0.00 H new ATOM 0 HD2 HIS A 113 4.637 -6.324 8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 113 1.192 -6.882 10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 113 3.603 -7.601 10.491 1.00 0.00 H new ATOM 451 N LEU A 114 2.273 -1.816 5.303 1.00 0.00 N ATOM 452 CA LEU A 114 2.725 -0.761 4.405 1.00 0.00 C ATOM 453 C LEU A 114 2.091 0.568 4.799 1.00 0.00 C ATOM 454 O LEU A 114 2.763 1.605 4.845 1.00 0.00 O ATOM 455 CB LEU A 114 2.374 -1.083 2.950 1.00 0.00 C ATOM 456 CG LEU A 114 2.709 0.027 1.945 1.00 0.00 C ATOM 457 CD1 LEU A 114 4.211 0.246 1.861 1.00 0.00 C ATOM 458 CD2 LEU A 114 2.136 -0.296 0.571 1.00 0.00 C ATOM 0 H LEU A 114 1.442 -2.318 4.989 1.00 0.00 H new ATOM 0 HA LEU A 114 3.809 -0.690 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.901 -1.991 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.308 -1.300 2.888 1.00 0.00 H new ATOM 0 HG LEU A 114 2.250 0.950 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.424 1.037 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.592 0.534 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.696 -0.676 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.386 0.505 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.559 -1.234 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.052 -0.390 0.642 1.00 0.00 H new ATOM 470 N LYS A 115 0.797 0.522 5.100 1.00 0.00 N ATOM 471 CA LYS A 115 0.041 1.721 5.433 1.00 0.00 C ATOM 472 C LYS A 115 0.621 2.396 6.668 1.00 0.00 C ATOM 473 O LYS A 115 0.766 3.606 6.694 1.00 0.00 O ATOM 474 CB LYS A 115 -1.431 1.379 5.670 1.00 0.00 C ATOM 475 CG LYS A 115 -2.353 2.588 5.650 1.00 0.00 C ATOM 476 CD LYS A 115 -3.782 2.204 5.997 1.00 0.00 C ATOM 477 CE LYS A 115 -4.750 3.353 5.758 1.00 0.00 C ATOM 478 NZ LYS A 115 -4.366 4.582 6.501 1.00 0.00 N ATOM 0 H LYS A 115 0.249 -0.338 5.120 1.00 0.00 H new ATOM 0 HA LYS A 115 0.112 2.410 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.757 0.672 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.527 0.876 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.993 3.333 6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.329 3.049 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.083 1.345 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.832 1.898 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.791 3.574 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.752 3.048 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.217 5.143 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.900 4.317 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.711 5.147 5.923 1.00 0.00 H new ATOM 492 N GLN A 116 0.975 1.596 7.672 1.00 0.00 N ATOM 493 CA GLN A 116 1.510 2.114 8.933 1.00 0.00 C ATOM 494 C GLN A 116 2.778 2.936 8.697 1.00 0.00 C ATOM 495 O GLN A 116 3.017 3.931 9.384 1.00 0.00 O ATOM 496 CB GLN A 116 1.807 0.954 9.887 1.00 0.00 C ATOM 497 CG GLN A 116 2.128 1.380 11.312 1.00 0.00 C ATOM 498 CD GLN A 116 0.948 2.020 12.017 1.00 0.00 C ATOM 499 OE1 GLN A 116 0.137 1.338 12.645 1.00 0.00 O ATOM 500 NE2 GLN A 116 0.859 3.336 11.938 1.00 0.00 N ATOM 0 H GLN A 116 0.901 0.579 7.637 1.00 0.00 H new ATOM 0 HA GLN A 116 0.761 2.768 9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.947 0.285 9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.647 0.382 9.494 1.00 0.00 H new ATOM 0 HG2 GLN A 116 2.456 0.510 11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 116 2.961 2.083 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.552 3.863 11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.097 3.825 12.408 1.00 0.00 H new ATOM 509 N GLN A 117 3.582 2.521 7.720 1.00 0.00 N ATOM 510 CA GLN A 117 4.779 3.268 7.347 1.00 0.00 C ATOM 511 C GLN A 117 4.379 4.639 6.814 1.00 0.00 C ATOM 512 O GLN A 117 4.912 5.675 7.232 1.00 0.00 O ATOM 513 CB GLN A 117 5.585 2.514 6.285 1.00 0.00 C ATOM 514 CG GLN A 117 6.049 1.134 6.726 1.00 0.00 C ATOM 515 CD GLN A 117 6.873 0.426 5.666 1.00 0.00 C ATOM 516 OE1 GLN A 117 6.593 0.714 4.403 1.00 0.00 O flip ATOM 517 NE2 GLN A 117 7.753 -0.375 5.976 1.00 0.00 N flip ATOM 0 H GLN A 117 3.426 1.674 7.174 1.00 0.00 H new ATOM 0 HA GLN A 117 5.404 3.386 8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.977 2.412 5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.457 3.110 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.640 1.228 7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.180 0.524 6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.940 -0.572 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.296 -0.843 5.250 1.00 0.00 H new ATOM 526 N VAL A 118 3.413 4.637 5.904 1.00 0.00 N ATOM 527 CA VAL A 118 2.868 5.873 5.367 1.00 0.00 C ATOM 528 C VAL A 118 2.232 6.682 6.491 1.00 0.00 C ATOM 529 O VAL A 118 2.405 7.890 6.565 1.00 0.00 O ATOM 530 CB VAL A 118 1.821 5.611 4.262 1.00 0.00 C ATOM 531 CG1 VAL A 118 1.336 6.918 3.656 1.00 0.00 C ATOM 532 CG2 VAL A 118 2.386 4.698 3.184 1.00 0.00 C ATOM 0 H VAL A 118 2.991 3.790 5.523 1.00 0.00 H new ATOM 0 HA VAL A 118 3.690 6.431 4.920 1.00 0.00 H new ATOM 0 HB VAL A 118 0.968 5.110 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.599 6.708 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.880 7.532 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.180 7.452 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.630 4.529 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.261 5.166 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.672 3.745 3.628 1.00 0.00 H new ATOM 542 N SER A 119 1.527 5.987 7.377 1.00 0.00 N ATOM 543 CA SER A 119 0.890 6.599 8.539 1.00 0.00 C ATOM 544 C SER A 119 1.917 7.281 9.445 1.00 0.00 C ATOM 545 O SER A 119 1.572 8.160 10.231 1.00 0.00 O ATOM 546 CB SER A 119 0.105 5.541 9.319 1.00 0.00 C ATOM 547 OG SER A 119 -0.900 4.951 8.508 1.00 0.00 O ATOM 0 H SER A 119 1.380 4.980 7.310 1.00 0.00 H new ATOM 0 HA SER A 119 0.202 7.367 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.786 4.770 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.353 5.997 10.197 1.00 0.00 H new ATOM 0 HG SER A 119 -0.479 4.413 7.805 1.00 0.00 H new ATOM 553 N GLY A 120 3.173 6.876 9.334 1.00 0.00 N ATOM 554 CA GLY A 120 4.224 7.532 10.084 1.00 0.00 C ATOM 555 C GLY A 120 4.703 8.803 9.410 1.00 0.00 C ATOM 556 O GLY A 120 5.010 9.792 10.074 1.00 0.00 O ATOM 0 H GLY A 120 3.483 6.107 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.861 7.768 11.084 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.064 6.848 10.203 1.00 0.00 H new ATOM 560 N LEU A 121 4.761 8.779 8.083 1.00 0.00 N ATOM 561 CA LEU A 121 5.259 9.920 7.312 1.00 0.00 C ATOM 562 C LEU A 121 4.130 10.872 6.897 1.00 0.00 C ATOM 563 O LEU A 121 4.061 12.016 7.349 1.00 0.00 O ATOM 564 CB LEU A 121 5.991 9.412 6.064 1.00 0.00 C ATOM 565 CG LEU A 121 7.199 8.511 6.337 1.00 0.00 C ATOM 566 CD1 LEU A 121 7.726 7.919 5.041 1.00 0.00 C ATOM 567 CD2 LEU A 121 8.295 9.291 7.038 1.00 0.00 C ATOM 0 H LEU A 121 4.470 7.983 7.516 1.00 0.00 H new ATOM 0 HA LEU A 121 5.943 10.480 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.282 8.863 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.324 10.272 5.482 1.00 0.00 H new ATOM 0 HG LEU A 121 6.878 7.697 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.584 7.282 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.943 7.327 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.029 8.723 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.146 8.636 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.609 10.123 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.919 9.675 7.986 1.00 0.00 H new ATOM 579 N GLU A 122 3.253 10.379 6.038 1.00 0.00 N ATOM 580 CA GLU A 122 2.166 11.169 5.454 1.00 0.00 C ATOM 581 C GLU A 122 0.857 10.873 6.183 1.00 0.00 C ATOM 582 O GLU A 122 -0.215 11.273 5.741 1.00 0.00 O ATOM 583 CB GLU A 122 2.023 10.847 3.968 1.00 0.00 C ATOM 584 CG GLU A 122 1.677 12.046 3.099 1.00 0.00 C ATOM 585 CD GLU A 122 2.829 13.025 2.978 1.00 0.00 C ATOM 586 OE1 GLU A 122 3.702 12.824 2.102 1.00 0.00 O ATOM 587 OE2 GLU A 122 2.874 13.995 3.764 1.00 0.00 O ATOM 0 H GLU A 122 3.270 9.410 5.719 1.00 0.00 H new ATOM 0 HA GLU A 122 2.400 12.228 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.956 10.411 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.250 10.089 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 122 1.392 11.701 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.811 12.558 3.519 1.00 0.00 H new ATOM 594 N GLY A 123 0.986 10.123 7.276 1.00 0.00 N ATOM 595 CA GLY A 123 -0.129 9.547 8.027 1.00 0.00 C ATOM 596 C GLY A 123 -1.225 10.493 8.496 1.00 0.00 C ATOM 597 O GLY A 123 -2.055 10.067 9.295 1.00 0.00 O ATOM 0 H GLY A 123 1.896 9.892 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.591 8.779 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.280 9.045 8.904 1.00 0.00 H new ATOM 601 N VAL A 124 -1.184 11.756 8.067 1.00 0.00 N ATOM 602 CA VAL A 124 -2.215 12.761 8.365 1.00 0.00 C ATOM 603 C VAL A 124 -3.601 12.138 8.545 1.00 0.00 C ATOM 604 O VAL A 124 -4.324 11.944 7.569 1.00 0.00 O ATOM 605 CB VAL A 124 -2.306 13.791 7.221 1.00 0.00 C ATOM 606 CG1 VAL A 124 -3.365 14.843 7.524 1.00 0.00 C ATOM 607 CG2 VAL A 124 -0.944 14.421 6.949 1.00 0.00 C ATOM 0 H VAL A 124 -0.423 12.118 7.493 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.917 13.238 9.299 1.00 0.00 H new ATOM 0 HB VAL A 124 -2.612 13.272 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -3.412 15.559 6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.335 14.360 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.107 15.364 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.033 15.144 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -0.590 14.926 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -0.234 13.644 6.666 1.00 0.00 H new ATOM 617 N GLN A 125 -3.948 11.847 9.805 1.00 0.00 N ATOM 618 CA GLN A 125 -5.148 11.082 10.156 1.00 0.00 C ATOM 619 C GLN A 125 -5.257 9.806 9.322 1.00 0.00 C ATOM 620 O GLN A 125 -5.569 9.845 8.134 1.00 0.00 O ATOM 621 CB GLN A 125 -6.414 11.922 10.006 1.00 0.00 C ATOM 622 CG GLN A 125 -7.671 11.200 10.471 1.00 0.00 C ATOM 623 CD GLN A 125 -8.918 12.055 10.379 1.00 0.00 C ATOM 624 OE1 GLN A 125 -8.765 13.355 10.578 1.00 0.00 O flip ATOM 625 NE2 GLN A 125 -10.015 11.548 10.143 1.00 0.00 N flip ATOM 0 H GLN A 125 -3.399 12.138 10.614 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.051 10.800 11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.300 12.844 10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.532 12.206 8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.809 10.301 9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.536 10.876 11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -10.091 10.542 9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.848 12.134 10.095 1.00 0.00 H new ATOM 634 N ASP A 126 -5.048 8.667 9.965 1.00 0.00 N ATOM 635 CA ASP A 126 -5.019 7.376 9.275 1.00 0.00 C ATOM 636 C ASP A 126 -6.291 7.134 8.455 1.00 0.00 C ATOM 637 O ASP A 126 -6.299 6.320 7.529 1.00 0.00 O ATOM 638 CB ASP A 126 -4.817 6.248 10.293 1.00 0.00 C ATOM 639 CG ASP A 126 -4.724 4.876 9.653 1.00 0.00 C ATOM 640 OD1 ASP A 126 -3.687 4.580 9.022 1.00 0.00 O ATOM 641 OD2 ASP A 126 -5.683 4.084 9.784 1.00 0.00 O ATOM 0 H ASP A 126 -4.894 8.606 10.972 1.00 0.00 H new ATOM 0 HA ASP A 126 -4.183 7.390 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -3.907 6.439 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.644 6.255 11.003 1.00 0.00 H new ATOM 646 N ASP A 127 -7.352 7.867 8.771 1.00 0.00 N ATOM 647 CA ASP A 127 -8.631 7.695 8.097 1.00 0.00 C ATOM 648 C ASP A 127 -8.824 8.679 6.947 1.00 0.00 C ATOM 649 O ASP A 127 -9.807 8.575 6.214 1.00 0.00 O ATOM 650 CB ASP A 127 -9.791 7.827 9.086 1.00 0.00 C ATOM 651 CG ASP A 127 -10.111 6.523 9.785 1.00 0.00 C ATOM 652 OD1 ASP A 127 -9.286 6.057 10.595 1.00 0.00 O ATOM 653 OD2 ASP A 127 -11.189 5.951 9.517 1.00 0.00 O ATOM 0 H ASP A 127 -7.350 8.588 9.492 1.00 0.00 H new ATOM 0 HA ASP A 127 -8.624 6.690 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -9.544 8.583 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -10.677 8.178 8.557 1.00 0.00 H new ATOM 658 N LEU A 128 -7.909 9.636 6.776 1.00 0.00 N ATOM 659 CA LEU A 128 -8.022 10.585 5.671 1.00 0.00 C ATOM 660 C LEU A 128 -7.478 9.989 4.380 1.00 0.00 C ATOM 661 O LEU A 128 -7.896 10.369 3.287 1.00 0.00 O ATOM 662 CB LEU A 128 -7.294 11.891 5.990 1.00 0.00 C ATOM 663 CG LEU A 128 -7.976 12.777 7.033 1.00 0.00 C ATOM 664 CD1 LEU A 128 -7.134 14.012 7.306 1.00 0.00 C ATOM 665 CD2 LEU A 128 -9.371 13.176 6.574 1.00 0.00 C ATOM 0 H LEU A 128 -7.096 9.772 7.377 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.081 10.802 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.290 11.653 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.183 12.462 5.068 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.072 12.207 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.631 14.634 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.156 13.710 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.010 14.579 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.837 13.806 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.302 13.727 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.975 12.281 6.425 1.00 0.00 H new ATOM 677 N PHE A 129 -6.549 9.050 4.503 1.00 0.00 N ATOM 678 CA PHE A 129 -5.973 8.415 3.330 1.00 0.00 C ATOM 679 C PHE A 129 -6.220 6.910 3.345 1.00 0.00 C ATOM 680 O PHE A 129 -5.905 6.217 4.317 1.00 0.00 O ATOM 681 CB PHE A 129 -4.470 8.723 3.208 1.00 0.00 C ATOM 682 CG PHE A 129 -3.604 8.112 4.278 1.00 0.00 C ATOM 683 CD1 PHE A 129 -3.621 8.602 5.573 1.00 0.00 C ATOM 684 CD2 PHE A 129 -2.762 7.053 3.976 1.00 0.00 C ATOM 685 CE1 PHE A 129 -2.817 8.044 6.546 1.00 0.00 C ATOM 686 CE2 PHE A 129 -1.957 6.493 4.946 1.00 0.00 C ATOM 687 CZ PHE A 129 -1.984 6.987 6.232 1.00 0.00 C ATOM 0 H PHE A 129 -6.183 8.715 5.394 1.00 0.00 H new ATOM 0 HA PHE A 129 -6.470 8.830 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -4.121 8.374 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.334 9.804 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.269 9.428 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.736 6.662 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -2.839 8.433 7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.306 5.668 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 129 -1.355 6.549 6.993 1.00 0.00 H new ATOM 697 N TRP A 130 -6.809 6.423 2.268 1.00 0.00 N ATOM 698 CA TRP A 130 -7.041 5.002 2.079 1.00 0.00 C ATOM 699 C TRP A 130 -6.593 4.613 0.678 1.00 0.00 C ATOM 700 O TRP A 130 -6.960 5.254 -0.302 1.00 0.00 O ATOM 701 CB TRP A 130 -8.519 4.651 2.303 1.00 0.00 C ATOM 702 CG TRP A 130 -8.867 3.226 1.971 1.00 0.00 C ATOM 703 CD1 TRP A 130 -9.903 2.799 1.193 1.00 0.00 C ATOM 704 CD2 TRP A 130 -8.173 2.040 2.391 1.00 0.00 C ATOM 705 NE1 TRP A 130 -9.902 1.432 1.108 1.00 0.00 N ATOM 706 CE2 TRP A 130 -8.851 0.944 1.829 1.00 0.00 C ATOM 707 CE3 TRP A 130 -7.048 1.799 3.184 1.00 0.00 C ATOM 708 CZ2 TRP A 130 -8.444 -0.368 2.033 1.00 0.00 C ATOM 709 CZ3 TRP A 130 -6.645 0.494 3.383 1.00 0.00 C ATOM 710 CH2 TRP A 130 -7.343 -0.575 2.807 1.00 0.00 C ATOM 0 H TRP A 130 -7.141 7.003 1.497 1.00 0.00 H new ATOM 0 HA TRP A 130 -6.463 4.440 2.812 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -8.773 4.843 3.345 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -9.135 5.315 1.697 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -10.622 3.447 0.713 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -10.577 0.870 0.590 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -6.505 2.618 3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -8.982 -1.195 1.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -5.777 0.294 3.993 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -7.001 -1.585 2.980 1.00 0.00 H new ATOM 721 N LEU A 131 -5.798 3.567 0.586 1.00 0.00 N ATOM 722 CA LEU A 131 -5.200 3.189 -0.679 1.00 0.00 C ATOM 723 C LEU A 131 -5.880 1.952 -1.237 1.00 0.00 C ATOM 724 O LEU A 131 -6.184 1.010 -0.503 1.00 0.00 O ATOM 725 CB LEU A 131 -3.683 2.958 -0.540 1.00 0.00 C ATOM 726 CG LEU A 131 -3.232 1.716 0.250 1.00 0.00 C ATOM 727 CD1 LEU A 131 -1.757 1.445 -0.004 1.00 0.00 C ATOM 728 CD2 LEU A 131 -3.466 1.883 1.745 1.00 0.00 C ATOM 0 H LEU A 131 -5.551 2.964 1.371 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.345 4.014 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.257 2.895 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.249 3.837 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 131 -3.830 0.872 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.447 0.565 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.597 1.270 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.169 2.305 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.135 0.986 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.903 2.743 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -4.528 2.040 1.932 1.00 0.00 H new ATOM 740 N THR A 132 -6.122 1.962 -2.535 1.00 0.00 N ATOM 741 CA THR A 132 -6.852 0.894 -3.189 1.00 0.00 C ATOM 742 C THR A 132 -6.158 0.473 -4.480 1.00 0.00 C ATOM 743 O THR A 132 -5.565 1.302 -5.172 1.00 0.00 O ATOM 744 CB THR A 132 -8.291 1.346 -3.503 1.00 0.00 C ATOM 745 OG1 THR A 132 -8.264 2.549 -4.287 1.00 0.00 O ATOM 746 CG2 THR A 132 -9.070 1.595 -2.217 1.00 0.00 C ATOM 0 H THR A 132 -5.819 2.707 -3.162 1.00 0.00 H new ATOM 0 HA THR A 132 -6.880 0.041 -2.511 1.00 0.00 H new ATOM 0 HB THR A 132 -8.786 0.554 -4.065 1.00 0.00 H new ATOM 0 HG1 THR A 132 -9.181 2.831 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 132 -10.083 1.913 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 132 -9.109 0.676 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.575 2.374 -1.637 1.00 0.00 H new ATOM 754 N PHE A 133 -6.240 -0.809 -4.803 1.00 0.00 N ATOM 755 CA PHE A 133 -5.641 -1.328 -6.023 1.00 0.00 C ATOM 756 C PHE A 133 -6.738 -1.673 -7.012 1.00 0.00 C ATOM 757 O PHE A 133 -7.784 -2.183 -6.609 1.00 0.00 O ATOM 758 CB PHE A 133 -4.790 -2.573 -5.732 1.00 0.00 C ATOM 759 CG PHE A 133 -4.474 -3.379 -6.965 1.00 0.00 C ATOM 760 CD1 PHE A 133 -3.431 -3.021 -7.800 1.00 0.00 C ATOM 761 CD2 PHE A 133 -5.250 -4.478 -7.301 1.00 0.00 C ATOM 762 CE1 PHE A 133 -3.163 -3.747 -8.946 1.00 0.00 C ATOM 763 CE2 PHE A 133 -4.991 -5.203 -8.447 1.00 0.00 C ATOM 764 CZ PHE A 133 -3.946 -4.839 -9.270 1.00 0.00 C ATOM 0 H PHE A 133 -6.717 -1.510 -4.236 1.00 0.00 H new ATOM 0 HA PHE A 133 -4.989 -0.563 -6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -3.858 -2.265 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.316 -3.206 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -2.819 -2.165 -7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -6.067 -4.770 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.343 -3.461 -9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -5.606 -6.054 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.740 -5.406 -10.166 1.00 0.00 H new ATOM 774 N GLU A 134 -6.511 -1.356 -8.292 1.00 0.00 N ATOM 775 CA GLU A 134 -7.424 -1.738 -9.379 1.00 0.00 C ATOM 776 C GLU A 134 -8.724 -0.920 -9.345 1.00 0.00 C ATOM 777 O GLU A 134 -9.336 -0.660 -10.381 1.00 0.00 O ATOM 778 CB GLU A 134 -7.738 -3.237 -9.290 1.00 0.00 C ATOM 779 CG GLU A 134 -8.617 -3.773 -10.405 1.00 0.00 C ATOM 780 CD GLU A 134 -9.151 -5.156 -10.095 1.00 0.00 C ATOM 781 OE1 GLU A 134 -10.183 -5.254 -9.398 1.00 0.00 O ATOM 782 OE2 GLU A 134 -8.543 -6.151 -10.544 1.00 0.00 O ATOM 0 H GLU A 134 -5.694 -0.830 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 134 -6.928 -1.525 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -6.799 -3.791 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -8.226 -3.435 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -9.451 -3.091 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -8.046 -3.805 -11.333 1.00 0.00 H new ATOM 789 N GLY A 135 -9.118 -0.502 -8.154 1.00 0.00 N ATOM 790 CA GLY A 135 -10.387 0.165 -7.962 1.00 0.00 C ATOM 791 C GLY A 135 -11.167 -0.457 -6.822 1.00 0.00 C ATOM 792 O GLY A 135 -12.323 -0.110 -6.582 1.00 0.00 O ATOM 0 H GLY A 135 -8.570 -0.616 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -10.218 1.222 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.973 0.109 -8.880 1.00 0.00 H new ATOM 796 N LYS A 136 -10.530 -1.392 -6.123 1.00 0.00 N ATOM 797 CA LYS A 136 -11.148 -2.067 -4.995 1.00 0.00 C ATOM 798 C LYS A 136 -10.382 -1.773 -3.711 1.00 0.00 C ATOM 799 O LYS A 136 -9.164 -1.585 -3.738 1.00 0.00 O ATOM 800 CB LYS A 136 -11.185 -3.585 -5.219 1.00 0.00 C ATOM 801 CG LYS A 136 -9.816 -4.204 -5.475 1.00 0.00 C ATOM 802 CD LYS A 136 -9.759 -5.657 -5.026 1.00 0.00 C ATOM 803 CE LYS A 136 -10.734 -6.538 -5.788 1.00 0.00 C ATOM 804 NZ LYS A 136 -10.318 -6.753 -7.199 1.00 0.00 N ATOM 0 H LYS A 136 -9.578 -1.699 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 136 -12.168 -1.693 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -11.631 -4.061 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -11.835 -3.802 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.583 -4.143 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.054 -3.631 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -8.747 -6.037 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -9.979 -5.714 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -10.818 -7.502 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.724 -6.081 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -10.891 -7.513 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -10.457 -5.876 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -9.314 -7.021 -7.228 1.00 0.00 H new ATOM 818 N PRO A 137 -11.086 -1.717 -2.571 1.00 0.00 N ATOM 819 CA PRO A 137 -10.444 -1.597 -1.266 1.00 0.00 C ATOM 820 C PRO A 137 -9.820 -2.925 -0.849 1.00 0.00 C ATOM 821 O PRO A 137 -10.363 -3.994 -1.131 1.00 0.00 O ATOM 822 CB PRO A 137 -11.599 -1.191 -0.351 1.00 0.00 C ATOM 823 CG PRO A 137 -12.796 -1.824 -0.970 1.00 0.00 C ATOM 824 CD PRO A 137 -12.559 -1.773 -2.458 1.00 0.00 C ATOM 0 HA PRO A 137 -9.623 -0.880 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -11.443 -1.545 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -11.704 -0.107 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -12.917 -2.852 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -13.706 -1.289 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -12.967 -2.650 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -13.030 -0.900 -2.910 1.00 0.00 H new ATOM 832 N LEU A 138 -8.670 -2.857 -0.204 1.00 0.00 N ATOM 833 CA LEU A 138 -7.886 -4.053 0.068 1.00 0.00 C ATOM 834 C LEU A 138 -8.167 -4.604 1.461 1.00 0.00 C ATOM 835 O LEU A 138 -8.340 -3.845 2.414 1.00 0.00 O ATOM 836 CB LEU A 138 -6.397 -3.738 -0.077 1.00 0.00 C ATOM 837 CG LEU A 138 -6.006 -3.002 -1.362 1.00 0.00 C ATOM 838 CD1 LEU A 138 -4.502 -2.792 -1.423 1.00 0.00 C ATOM 839 CD2 LEU A 138 -6.489 -3.763 -2.588 1.00 0.00 C ATOM 0 H LEU A 138 -8.257 -1.991 0.141 1.00 0.00 H new ATOM 0 HA LEU A 138 -8.173 -4.816 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -6.085 -3.136 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.838 -4.673 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.489 -2.025 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.245 -2.268 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -4.182 -2.199 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.999 -3.759 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.200 -3.222 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.039 -4.756 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.574 -3.857 -2.553 1.00 0.00 H new ATOM 851 N GLU A 139 -8.220 -5.924 1.568 1.00 0.00 N ATOM 852 CA GLU A 139 -8.369 -6.580 2.858 1.00 0.00 C ATOM 853 C GLU A 139 -6.995 -6.770 3.487 1.00 0.00 C ATOM 854 O GLU A 139 -6.066 -7.229 2.827 1.00 0.00 O ATOM 855 CB GLU A 139 -9.062 -7.935 2.696 1.00 0.00 C ATOM 856 CG GLU A 139 -9.343 -8.642 4.014 1.00 0.00 C ATOM 857 CD GLU A 139 -9.900 -10.038 3.823 1.00 0.00 C ATOM 858 OE1 GLU A 139 -11.111 -10.167 3.546 1.00 0.00 O ATOM 859 OE2 GLU A 139 -9.131 -11.010 3.960 1.00 0.00 O ATOM 0 H GLU A 139 -8.162 -6.563 0.775 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.985 -5.956 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.002 -7.790 2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.440 -8.579 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.422 -8.699 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.050 -8.050 4.595 1.00 0.00 H new ATOM 866 N ASP A 140 -6.871 -6.407 4.757 1.00 0.00 N ATOM 867 CA ASP A 140 -5.587 -6.482 5.455 1.00 0.00 C ATOM 868 C ASP A 140 -5.205 -7.921 5.781 1.00 0.00 C ATOM 869 O ASP A 140 -4.021 -8.248 5.874 1.00 0.00 O ATOM 870 CB ASP A 140 -5.631 -5.658 6.743 1.00 0.00 C ATOM 871 CG ASP A 140 -4.370 -5.822 7.567 1.00 0.00 C ATOM 872 OD1 ASP A 140 -3.305 -5.339 7.130 1.00 0.00 O ATOM 873 OD2 ASP A 140 -4.434 -6.456 8.646 1.00 0.00 O ATOM 0 H ASP A 140 -7.641 -6.058 5.327 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.830 -6.073 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -5.767 -4.605 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -6.494 -5.960 7.337 1.00 0.00 H new ATOM 878 N GLN A 141 -6.207 -8.777 5.954 1.00 0.00 N ATOM 879 CA GLN A 141 -5.965 -10.177 6.282 1.00 0.00 C ATOM 880 C GLN A 141 -5.127 -10.828 5.184 1.00 0.00 C ATOM 881 O GLN A 141 -4.171 -11.554 5.464 1.00 0.00 O ATOM 882 CB GLN A 141 -7.300 -10.913 6.478 1.00 0.00 C ATOM 883 CG GLN A 141 -7.169 -12.340 7.008 1.00 0.00 C ATOM 884 CD GLN A 141 -6.783 -13.363 5.949 1.00 0.00 C ATOM 885 OE1 GLN A 141 -7.271 -13.193 4.731 1.00 0.00 O flip ATOM 886 NE2 GLN A 141 -6.073 -14.325 6.241 1.00 0.00 N flip ATOM 0 H GLN A 141 -7.192 -8.526 5.873 1.00 0.00 H new ATOM 0 HA GLN A 141 -5.409 -10.240 7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.918 -10.339 7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -7.828 -10.941 5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -6.422 -12.354 7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.116 -12.638 7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.714 -14.424 7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -5.844 -15.023 5.533 1.00 0.00 H new ATOM 895 N LEU A 142 -5.484 -10.549 3.936 1.00 0.00 N ATOM 896 CA LEU A 142 -4.713 -11.024 2.798 1.00 0.00 C ATOM 897 C LEU A 142 -3.426 -10.216 2.663 1.00 0.00 C ATOM 898 O LEU A 142 -3.426 -9.001 2.860 1.00 0.00 O ATOM 899 CB LEU A 142 -5.537 -10.920 1.510 1.00 0.00 C ATOM 900 CG LEU A 142 -6.781 -11.810 1.453 1.00 0.00 C ATOM 901 CD1 LEU A 142 -7.585 -11.514 0.198 1.00 0.00 C ATOM 902 CD2 LEU A 142 -6.394 -13.282 1.503 1.00 0.00 C ATOM 0 H LEU A 142 -6.304 -9.995 3.688 1.00 0.00 H new ATOM 0 HA LEU A 142 -4.459 -12.071 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.847 -9.883 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -4.894 -11.169 0.666 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.400 -11.591 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -8.467 -12.154 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.896 -10.469 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -6.970 -11.706 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -7.293 -13.896 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -5.753 -13.519 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -5.858 -13.486 2.430 1.00 0.00 H new ATOM 914 N PRO A 143 -2.311 -10.882 2.335 1.00 0.00 N ATOM 915 CA PRO A 143 -1.011 -10.222 2.201 1.00 0.00 C ATOM 916 C PRO A 143 -0.986 -9.219 1.051 1.00 0.00 C ATOM 917 O PRO A 143 -1.733 -9.349 0.081 1.00 0.00 O ATOM 918 CB PRO A 143 -0.045 -11.377 1.926 1.00 0.00 C ATOM 919 CG PRO A 143 -0.897 -12.472 1.388 1.00 0.00 C ATOM 920 CD PRO A 143 -2.228 -12.328 2.066 1.00 0.00 C ATOM 0 HA PRO A 143 -0.757 -9.643 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 143 0.724 -11.087 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 143 0.468 -11.687 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.999 -12.392 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.457 -13.447 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -3.044 -12.667 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -2.278 -12.912 2.985 1.00 0.00 H new ATOM 928 N LEU A 144 -0.110 -8.228 1.162 1.00 0.00 N ATOM 929 CA LEU A 144 0.005 -7.174 0.161 1.00 0.00 C ATOM 930 C LEU A 144 0.338 -7.775 -1.203 1.00 0.00 C ATOM 931 O LEU A 144 -0.170 -7.325 -2.233 1.00 0.00 O ATOM 932 CB LEU A 144 1.090 -6.177 0.596 1.00 0.00 C ATOM 933 CG LEU A 144 1.055 -4.794 -0.066 1.00 0.00 C ATOM 934 CD1 LEU A 144 1.908 -3.826 0.730 1.00 0.00 C ATOM 935 CD2 LEU A 144 1.549 -4.849 -1.505 1.00 0.00 C ATOM 0 H LEU A 144 0.538 -8.132 1.944 1.00 0.00 H new ATOM 0 HA LEU A 144 -0.946 -6.648 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 144 1.015 -6.041 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 144 2.064 -6.625 0.398 1.00 0.00 H new ATOM 0 HG LEU A 144 0.020 -4.453 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.881 -2.844 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.521 -3.750 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.936 -4.187 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 144 1.510 -3.851 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.576 -5.213 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 144 0.915 -5.522 -2.082 1.00 0.00 H new ATOM 947 N GLY A 145 1.164 -8.816 -1.193 1.00 0.00 N ATOM 948 CA GLY A 145 1.590 -9.458 -2.426 1.00 0.00 C ATOM 949 C GLY A 145 0.432 -10.028 -3.224 1.00 0.00 C ATOM 950 O GLY A 145 0.552 -10.246 -4.426 1.00 0.00 O ATOM 0 H GLY A 145 1.550 -9.231 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 145 2.127 -8.735 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 145 2.291 -10.258 -2.190 1.00 0.00 H new ATOM 954 N GLU A 146 -0.695 -10.256 -2.560 1.00 0.00 N ATOM 955 CA GLU A 146 -1.881 -10.783 -3.222 1.00 0.00 C ATOM 956 C GLU A 146 -2.439 -9.751 -4.199 1.00 0.00 C ATOM 957 O GLU A 146 -3.009 -10.094 -5.233 1.00 0.00 O ATOM 958 CB GLU A 146 -2.934 -11.158 -2.174 1.00 0.00 C ATOM 959 CG GLU A 146 -4.123 -11.921 -2.733 1.00 0.00 C ATOM 960 CD GLU A 146 -3.723 -13.240 -3.361 1.00 0.00 C ATOM 961 OE1 GLU A 146 -3.102 -14.072 -2.668 1.00 0.00 O ATOM 962 OE2 GLU A 146 -4.059 -13.465 -4.540 1.00 0.00 O ATOM 0 H GLU A 146 -0.812 -10.084 -1.562 1.00 0.00 H new ATOM 0 HA GLU A 146 -1.612 -11.677 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -2.461 -11.761 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -3.293 -10.248 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -4.840 -12.106 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -4.628 -11.306 -3.478 1.00 0.00 H new ATOM 969 N TYR A 147 -2.256 -8.480 -3.866 1.00 0.00 N ATOM 970 CA TYR A 147 -2.726 -7.387 -4.707 1.00 0.00 C ATOM 971 C TYR A 147 -1.572 -6.825 -5.527 1.00 0.00 C ATOM 972 O TYR A 147 -1.758 -6.327 -6.636 1.00 0.00 O ATOM 973 CB TYR A 147 -3.322 -6.277 -3.838 1.00 0.00 C ATOM 974 CG TYR A 147 -4.223 -6.784 -2.735 1.00 0.00 C ATOM 975 CD1 TYR A 147 -5.550 -7.116 -2.987 1.00 0.00 C ATOM 976 CD2 TYR A 147 -3.744 -6.927 -1.439 1.00 0.00 C ATOM 977 CE1 TYR A 147 -6.372 -7.574 -1.976 1.00 0.00 C ATOM 978 CE2 TYR A 147 -4.561 -7.384 -0.424 1.00 0.00 C ATOM 979 CZ TYR A 147 -5.871 -7.706 -0.697 1.00 0.00 C ATOM 980 OH TYR A 147 -6.689 -8.154 0.313 1.00 0.00 O ATOM 0 H TYR A 147 -1.782 -8.179 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 147 -3.493 -7.769 -5.381 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -2.510 -5.700 -3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -3.888 -5.596 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -5.943 -7.014 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -2.716 -6.677 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -7.401 -7.827 -2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -4.174 -7.488 0.579 1.00 0.00 H new ATOM 0 HH TYR A 147 -6.445 -7.711 1.152 1.00 0.00 H new ATOM 990 N GLY A 148 -0.374 -6.920 -4.965 1.00 0.00 N ATOM 991 CA GLY A 148 0.798 -6.339 -5.586 1.00 0.00 C ATOM 992 C GLY A 148 1.576 -7.318 -6.442 1.00 0.00 C ATOM 993 O GLY A 148 2.658 -6.988 -6.916 1.00 0.00 O ATOM 0 H GLY A 148 -0.193 -7.395 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.492 -5.494 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 148 1.454 -5.946 -4.809 1.00 0.00 H new ATOM 997 N LEU A 149 1.041 -8.527 -6.616 1.00 0.00 N ATOM 998 CA LEU A 149 1.694 -9.582 -7.413 1.00 0.00 C ATOM 999 C LEU A 149 2.138 -9.081 -8.795 1.00 0.00 C ATOM 1000 O LEU A 149 2.999 -9.683 -9.437 1.00 0.00 O ATOM 1001 CB LEU A 149 0.773 -10.802 -7.576 1.00 0.00 C ATOM 1002 CG LEU A 149 -0.406 -10.648 -8.552 1.00 0.00 C ATOM 1003 CD1 LEU A 149 -1.097 -11.988 -8.746 1.00 0.00 C ATOM 1004 CD2 LEU A 149 -1.406 -9.614 -8.056 1.00 0.00 C ATOM 0 H LEU A 149 0.147 -8.808 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 149 2.587 -9.876 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 149 1.380 -11.646 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 149 0.373 -11.060 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.010 -10.302 -9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.931 -11.871 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -0.387 -12.708 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.470 -12.347 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -2.226 -9.530 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -1.798 -9.922 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.911 -8.648 -7.957 1.00 0.00 H new ATOM 1016 N LYS A 150 1.527 -8.002 -9.259 1.00 0.00 N ATOM 1017 CA LYS A 150 1.970 -7.340 -10.472 1.00 0.00 C ATOM 1018 C LYS A 150 3.061 -6.329 -10.133 1.00 0.00 C ATOM 1019 O LYS A 150 2.838 -5.415 -9.344 1.00 0.00 O ATOM 1020 CB LYS A 150 0.804 -6.614 -11.153 1.00 0.00 C ATOM 1021 CG LYS A 150 -0.310 -7.523 -11.641 1.00 0.00 C ATOM 1022 CD LYS A 150 -1.498 -6.703 -12.125 1.00 0.00 C ATOM 1023 CE LYS A 150 -2.551 -7.560 -12.813 1.00 0.00 C ATOM 1024 NZ LYS A 150 -3.049 -8.657 -11.945 1.00 0.00 N ATOM 0 H LYS A 150 0.721 -7.567 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 150 2.360 -8.096 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 150 0.385 -5.892 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.191 -6.049 -12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 150 0.057 -8.154 -12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -0.624 -8.187 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.950 -6.187 -11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -1.149 -5.936 -12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.388 -6.930 -13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.130 -7.985 -13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.822 -9.158 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.275 -9.323 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.399 -8.260 -11.050 1.00 0.00 H new ATOM 1038 N PRO A 151 4.262 -6.479 -10.710 1.00 0.00 N ATOM 1039 CA PRO A 151 5.355 -5.504 -10.551 1.00 0.00 C ATOM 1040 C PRO A 151 4.975 -4.103 -11.041 1.00 0.00 C ATOM 1041 O PRO A 151 5.774 -3.170 -10.983 1.00 0.00 O ATOM 1042 CB PRO A 151 6.480 -6.075 -11.418 1.00 0.00 C ATOM 1043 CG PRO A 151 6.169 -7.525 -11.548 1.00 0.00 C ATOM 1044 CD PRO A 151 4.668 -7.637 -11.517 1.00 0.00 C ATOM 0 HA PRO A 151 5.624 -5.377 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 151 6.512 -5.589 -12.393 1.00 0.00 H new ATOM 0 HB3 PRO A 151 7.454 -5.920 -10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 151 6.570 -7.927 -12.478 1.00 0.00 H new ATOM 0 HG3 PRO A 151 6.619 -8.094 -10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 151 4.241 -7.599 -12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 151 4.343 -8.575 -11.067 1.00 0.00 H new ATOM 1052 N LEU A 152 3.756 -3.975 -11.540 1.00 0.00 N ATOM 1053 CA LEU A 152 3.227 -2.694 -11.986 1.00 0.00 C ATOM 1054 C LEU A 152 1.865 -2.422 -11.352 1.00 0.00 C ATOM 1055 O LEU A 152 1.113 -1.571 -11.832 1.00 0.00 O ATOM 1056 CB LEU A 152 3.135 -2.654 -13.522 1.00 0.00 C ATOM 1057 CG LEU A 152 2.540 -3.897 -14.201 1.00 0.00 C ATOM 1058 CD1 LEU A 152 1.040 -4.011 -13.959 1.00 0.00 C ATOM 1059 CD2 LEU A 152 2.829 -3.863 -15.690 1.00 0.00 C ATOM 0 H LEU A 152 3.106 -4.754 -11.648 1.00 0.00 H new ATOM 0 HA LEU A 152 3.911 -1.909 -11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.536 -1.789 -13.806 1.00 0.00 H new ATOM 0 HB3 LEU A 152 4.137 -2.493 -13.921 1.00 0.00 H new ATOM 0 HG LEU A 152 3.012 -4.775 -13.759 1.00 0.00 H new ATOM 0 HD11 LEU A 152 0.658 -4.903 -14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.849 -4.082 -12.888 1.00 0.00 H new ATOM 0 HD13 LEU A 152 0.539 -3.130 -14.360 1.00 0.00 H new ATOM 0 HD21 LEU A 152 2.404 -4.748 -16.163 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.384 -2.969 -16.127 1.00 0.00 H new ATOM 0 HD23 LEU A 152 3.907 -3.848 -15.851 1.00 0.00 H new ATOM 1071 N SER A 153 1.554 -3.150 -10.274 1.00 0.00 N ATOM 1072 CA SER A 153 0.299 -2.959 -9.551 1.00 0.00 C ATOM 1073 C SER A 153 0.105 -1.497 -9.190 1.00 0.00 C ATOM 1074 O SER A 153 0.804 -0.960 -8.329 1.00 0.00 O ATOM 1075 CB SER A 153 0.254 -3.823 -8.283 1.00 0.00 C ATOM 1076 OG SER A 153 -0.032 -5.178 -8.591 1.00 0.00 O ATOM 0 H SER A 153 2.156 -3.876 -9.886 1.00 0.00 H new ATOM 0 HA SER A 153 -0.513 -3.270 -10.209 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.210 -3.760 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 153 -0.504 -3.435 -7.603 1.00 0.00 H new ATOM 0 HG SER A 153 -0.687 -5.528 -7.951 1.00 0.00 H new ATOM 1082 N THR A 154 -0.829 -0.857 -9.871 1.00 0.00 N ATOM 1083 CA THR A 154 -1.096 0.544 -9.652 1.00 0.00 C ATOM 1084 C THR A 154 -1.983 0.727 -8.429 1.00 0.00 C ATOM 1085 O THR A 154 -3.213 0.682 -8.518 1.00 0.00 O ATOM 1086 CB THR A 154 -1.769 1.177 -10.878 1.00 0.00 C ATOM 1087 OG1 THR A 154 -1.187 0.648 -12.077 1.00 0.00 O ATOM 1088 CG2 THR A 154 -1.603 2.688 -10.858 1.00 0.00 C ATOM 0 H THR A 154 -1.415 -1.293 -10.583 1.00 0.00 H new ATOM 0 HA THR A 154 -0.142 1.044 -9.485 1.00 0.00 H new ATOM 0 HB THR A 154 -2.833 0.940 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 154 -1.620 1.053 -12.857 1.00 0.00 H new ATOM 0 HG21 THR A 154 -2.087 3.119 -11.735 1.00 0.00 H new ATOM 0 HG22 THR A 154 -2.061 3.092 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 154 -0.542 2.938 -10.869 1.00 0.00 H new ATOM 1096 N VAL A 155 -1.349 0.887 -7.281 1.00 0.00 N ATOM 1097 CA VAL A 155 -2.067 1.101 -6.044 1.00 0.00 C ATOM 1098 C VAL A 155 -2.248 2.591 -5.819 1.00 0.00 C ATOM 1099 O VAL A 155 -1.276 3.323 -5.646 1.00 0.00 O ATOM 1100 CB VAL A 155 -1.326 0.486 -4.840 1.00 0.00 C ATOM 1101 CG1 VAL A 155 -2.140 0.643 -3.565 1.00 0.00 C ATOM 1102 CG2 VAL A 155 -1.006 -0.978 -5.099 1.00 0.00 C ATOM 0 H VAL A 155 -0.334 0.872 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.036 0.610 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.387 1.023 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.597 0.201 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -2.309 1.702 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -3.099 0.138 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.483 -1.394 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -1.932 -1.529 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -0.373 -1.061 -5.983 1.00 0.00 H new ATOM 1112 N PHE A 156 -3.486 3.043 -5.849 1.00 0.00 N ATOM 1113 CA PHE A 156 -3.775 4.452 -5.665 1.00 0.00 C ATOM 1114 C PHE A 156 -3.996 4.759 -4.192 1.00 0.00 C ATOM 1115 O PHE A 156 -4.998 4.341 -3.606 1.00 0.00 O ATOM 1116 CB PHE A 156 -5.012 4.864 -6.467 1.00 0.00 C ATOM 1117 CG PHE A 156 -4.842 4.782 -7.959 1.00 0.00 C ATOM 1118 CD1 PHE A 156 -4.191 5.790 -8.648 1.00 0.00 C ATOM 1119 CD2 PHE A 156 -5.346 3.704 -8.671 1.00 0.00 C ATOM 1120 CE1 PHE A 156 -4.043 5.728 -10.019 1.00 0.00 C ATOM 1121 CE2 PHE A 156 -5.199 3.635 -10.044 1.00 0.00 C ATOM 1122 CZ PHE A 156 -4.546 4.648 -10.719 1.00 0.00 C ATOM 0 H PHE A 156 -4.307 2.457 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 156 -2.918 5.021 -6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -5.848 4.229 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -5.279 5.886 -6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -3.794 6.636 -8.106 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.859 2.910 -8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -3.534 6.523 -10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -5.594 2.790 -10.588 1.00 0.00 H new ATOM 0 HZ PHE A 156 -4.429 4.596 -11.791 1.00 0.00 H new ATOM 1132 N MET A 157 -3.053 5.468 -3.593 1.00 0.00 N ATOM 1133 CA MET A 157 -3.216 5.945 -2.235 1.00 0.00 C ATOM 1134 C MET A 157 -4.139 7.148 -2.257 1.00 0.00 C ATOM 1135 O MET A 157 -3.711 8.282 -2.475 1.00 0.00 O ATOM 1136 CB MET A 157 -1.870 6.311 -1.605 1.00 0.00 C ATOM 1137 CG MET A 157 -1.969 6.631 -0.122 1.00 0.00 C ATOM 1138 SD MET A 157 -0.372 6.995 0.625 1.00 0.00 S ATOM 1139 CE MET A 157 0.066 8.513 -0.217 1.00 0.00 C ATOM 0 H MET A 157 -2.167 5.725 -4.029 1.00 0.00 H new ATOM 0 HA MET A 157 -3.648 5.152 -1.625 1.00 0.00 H new ATOM 0 HB2 MET A 157 -1.174 5.484 -1.746 1.00 0.00 H new ATOM 0 HB3 MET A 157 -1.453 7.171 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 157 -2.632 7.485 0.017 1.00 0.00 H new ATOM 0 HG3 MET A 157 -2.423 5.787 0.397 1.00 0.00 H new ATOM 0 HE1 MET A 157 0.871 9.010 0.324 1.00 0.00 H new ATOM 0 HE2 MET A 157 0.396 8.285 -1.230 1.00 0.00 H new ATOM 0 HE3 MET A 157 -0.803 9.170 -0.258 1.00 0.00 H new ATOM 1149 N ASN A 158 -5.414 6.879 -2.066 1.00 0.00 N ATOM 1150 CA ASN A 158 -6.443 7.875 -2.251 1.00 0.00 C ATOM 1151 C ASN A 158 -6.682 8.688 -0.994 1.00 0.00 C ATOM 1152 O ASN A 158 -7.117 8.161 0.032 1.00 0.00 O ATOM 1153 CB ASN A 158 -7.750 7.208 -2.686 1.00 0.00 C ATOM 1154 CG ASN A 158 -7.834 6.992 -4.183 1.00 0.00 C ATOM 1155 OD1 ASN A 158 -8.245 7.882 -4.932 1.00 0.00 O ATOM 1156 ND2 ASN A 158 -7.468 5.803 -4.631 1.00 0.00 N ATOM 0 H ASN A 158 -5.763 5.965 -1.779 1.00 0.00 H new ATOM 0 HA ASN A 158 -6.097 8.556 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -7.848 6.248 -2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -8.590 7.824 -2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -7.520 5.596 -5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -7.133 5.093 -3.979 1.00 0.00 H new ATOM 1163 N LEU A 159 -6.373 9.970 -1.070 1.00 0.00 N ATOM 1164 CA LEU A 159 -6.834 10.906 -0.069 1.00 0.00 C ATOM 1165 C LEU A 159 -8.336 11.056 -0.246 1.00 0.00 C ATOM 1166 O LEU A 159 -8.808 11.338 -1.350 1.00 0.00 O ATOM 1167 CB LEU A 159 -6.128 12.257 -0.213 1.00 0.00 C ATOM 1168 CG LEU A 159 -4.609 12.222 -0.037 1.00 0.00 C ATOM 1169 CD1 LEU A 159 -4.010 13.604 -0.258 1.00 0.00 C ATOM 1170 CD2 LEU A 159 -4.245 11.701 1.344 1.00 0.00 C ATOM 0 H LEU A 159 -5.807 10.382 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.603 10.537 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -6.354 12.663 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.546 12.947 0.520 1.00 0.00 H new ATOM 0 HG LEU A 159 -4.194 11.545 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.929 13.557 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -4.240 13.943 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -4.432 14.303 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.160 11.683 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.674 12.354 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.639 10.692 1.468 1.00 0.00 H new ATOM 1182 N ARG A 160 -9.079 10.826 0.820 1.00 0.00 N ATOM 1183 CA ARG A 160 -10.528 10.730 0.729 1.00 0.00 C ATOM 1184 C ARG A 160 -11.182 12.081 0.448 1.00 0.00 C ATOM 1185 O ARG A 160 -10.493 13.093 0.291 1.00 0.00 O ATOM 1186 CB ARG A 160 -11.083 10.093 2.000 1.00 0.00 C ATOM 1187 CG ARG A 160 -10.580 8.672 2.197 1.00 0.00 C ATOM 1188 CD ARG A 160 -11.020 8.094 3.528 1.00 0.00 C ATOM 1189 NE ARG A 160 -12.465 7.892 3.608 1.00 0.00 N ATOM 1190 CZ ARG A 160 -13.107 7.614 4.739 1.00 0.00 C ATOM 1191 NH1 ARG A 160 -12.450 7.593 5.896 1.00 0.00 N ATOM 1192 NH2 ARG A 160 -14.412 7.375 4.720 1.00 0.00 N ATOM 0 H ARG A 160 -8.705 10.702 1.761 1.00 0.00 H new ATOM 0 HA ARG A 160 -10.772 10.093 -0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -10.801 10.699 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -12.172 10.088 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -10.949 8.041 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -9.492 8.661 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -10.515 7.142 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -10.706 8.762 4.330 1.00 0.00 H new ATOM 0 HE ARG A 160 -13.011 7.968 2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -11.450 7.791 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -12.947 7.379 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -14.923 7.404 3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -14.904 7.162 5.588 1.00 0.00 H new