USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 540 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 73 ASN : amide:sc= 1.24 K(o=1.9,f=-1.9) USER MOD Set 1.2: A 77 ASN : amide:sc= 0.676 K(o=1.9,f=-0.86) USER MOD Set 2.1: A 56 THR OG1 : rot -170:sc= 0.121 USER MOD Set 2.2: A 59 THR OG1 : rot 109:sc= 0.135 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0197) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0245 (180deg=-0.07) USER MOD Single : A 6 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00561) USER MOD Single : A 9 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.741 K(o=0.74,f=-0.089) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00199 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.15 K(o=1.2,f=-0.032) USER MOD Single : A 61 SER OG : rot 27:sc= 0.0168 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00393) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.573 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 100 MET CE :methyl 176:sc= 0 (180deg=-0.0242) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -5.694 -55.445 -14.030 1.00 0.00 N ATOM 77 CA MET A 1 -4.340 -55.935 -13.709 1.00 0.00 C ATOM 78 C MET A 1 -3.651 -55.094 -12.608 1.00 0.00 C ATOM 79 O MET A 1 -2.423 -55.005 -12.543 1.00 0.00 O ATOM 80 CB MET A 1 -3.520 -56.027 -15.016 1.00 0.00 C ATOM 81 CG MET A 1 -2.348 -57.016 -14.926 1.00 0.00 C ATOM 82 SD MET A 1 -1.478 -57.326 -16.491 1.00 0.00 S ATOM 83 CE MET A 1 -2.685 -58.384 -17.339 1.00 0.00 C ATOM 0 H1 MET A 1 -6.066 -55.964 -14.851 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.320 -55.595 -13.213 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.652 -54.430 -14.252 1.00 0.00 H new ATOM 0 HA MET A 1 -4.411 -56.934 -13.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.179 -56.328 -15.831 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.135 -55.039 -15.266 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.630 -56.639 -14.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.723 -57.965 -14.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.270 -58.721 -18.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.912 -59.249 -16.716 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.599 -57.819 -17.522 1.00 0.00 H new ATOM 93 N ASP A 2 -4.435 -54.452 -11.737 1.00 0.00 N ATOM 94 CA ASP A 2 -3.973 -53.557 -10.663 1.00 0.00 C ATOM 95 C ASP A 2 -4.545 -53.965 -9.284 1.00 0.00 C ATOM 96 O ASP A 2 -5.609 -54.591 -9.213 1.00 0.00 O ATOM 97 CB ASP A 2 -4.349 -52.106 -11.015 1.00 0.00 C ATOM 98 CG ASP A 2 -3.502 -51.555 -12.174 1.00 0.00 C ATOM 99 OD1 ASP A 2 -3.989 -51.517 -13.330 1.00 0.00 O ATOM 100 OD2 ASP A 2 -2.347 -51.130 -11.924 1.00 0.00 O ATOM 0 H ASP A 2 -5.451 -54.543 -11.759 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.889 -53.640 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.404 -52.060 -11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.216 -51.474 -10.137 1.00 0.00 H new ATOM 105 N PRO A 3 -3.888 -53.599 -8.163 1.00 0.00 N ATOM 106 CA PRO A 3 -4.347 -53.935 -6.809 1.00 0.00 C ATOM 107 C PRO A 3 -5.556 -53.119 -6.322 1.00 0.00 C ATOM 108 O PRO A 3 -6.040 -53.339 -5.211 1.00 0.00 O ATOM 109 CB PRO A 3 -3.113 -53.749 -5.918 1.00 0.00 C ATOM 110 CG PRO A 3 -2.343 -52.632 -6.622 1.00 0.00 C ATOM 111 CD PRO A 3 -2.594 -52.926 -8.100 1.00 0.00 C ATOM 0 HA PRO A 3 -4.730 -54.955 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.388 -53.470 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.524 -54.663 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.711 -51.646 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.281 -52.658 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.604 -52.006 -8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.806 -53.557 -8.512 1.00 0.00 H new ATOM 119 N LEU A 4 -6.061 -52.201 -7.150 1.00 0.00 N ATOM 120 CA LEU A 4 -7.143 -51.261 -6.835 1.00 0.00 C ATOM 121 C LEU A 4 -8.394 -51.463 -7.718 1.00 0.00 C ATOM 122 O LEU A 4 -9.075 -50.510 -8.089 1.00 0.00 O ATOM 123 CB LEU A 4 -6.593 -49.819 -6.852 1.00 0.00 C ATOM 124 CG LEU A 4 -5.480 -49.522 -5.828 1.00 0.00 C ATOM 125 CD1 LEU A 4 -4.984 -48.089 -6.018 1.00 0.00 C ATOM 126 CD2 LEU A 4 -5.956 -49.671 -4.380 1.00 0.00 C ATOM 0 H LEU A 4 -5.712 -52.087 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.502 -51.467 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.211 -49.606 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.420 -49.131 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.686 -50.248 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.197 -47.878 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.590 -47.971 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.811 -47.395 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.132 -49.450 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.776 -48.977 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.300 -50.692 -4.213 1.00 0.00 H new ATOM 138 N ASP A 5 -8.717 -52.716 -8.048 1.00 0.00 N ATOM 139 CA ASP A 5 -9.951 -53.100 -8.763 1.00 0.00 C ATOM 140 C ASP A 5 -11.035 -53.737 -7.864 1.00 0.00 C ATOM 141 O ASP A 5 -12.086 -54.161 -8.355 1.00 0.00 O ATOM 142 CB ASP A 5 -9.582 -54.017 -9.943 1.00 0.00 C ATOM 143 CG ASP A 5 -8.972 -53.243 -11.125 1.00 0.00 C ATOM 144 OD1 ASP A 5 -7.810 -53.522 -11.509 1.00 0.00 O ATOM 145 OD2 ASP A 5 -9.669 -52.368 -11.694 1.00 0.00 O ATOM 0 H ASP A 5 -8.121 -53.513 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.410 -52.182 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.873 -54.772 -9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.474 -54.545 -10.281 1.00 0.00 H new ATOM 150 N LYS A 6 -10.781 -53.827 -6.550 1.00 0.00 N ATOM 151 CA LYS A 6 -11.538 -54.684 -5.608 1.00 0.00 C ATOM 152 C LYS A 6 -12.216 -53.903 -4.483 1.00 0.00 C ATOM 153 O LYS A 6 -13.431 -53.983 -4.305 1.00 0.00 O ATOM 154 CB LYS A 6 -10.644 -55.807 -5.027 1.00 0.00 C ATOM 155 CG LYS A 6 -9.702 -56.469 -6.048 1.00 0.00 C ATOM 156 CD LYS A 6 -8.260 -55.926 -6.001 1.00 0.00 C ATOM 157 CE LYS A 6 -7.462 -56.355 -4.757 1.00 0.00 C ATOM 158 NZ LYS A 6 -7.135 -57.807 -4.760 1.00 0.00 N ATOM 0 H LYS A 6 -10.033 -53.300 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.336 -55.135 -6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.046 -55.393 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.284 -56.575 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.682 -57.544 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.104 -56.321 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.729 -56.261 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.293 -54.837 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.538 -55.778 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.036 -56.117 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.569 -58.037 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.015 -58.361 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.592 -58.039 -5.616 1.00 0.00 H new ATOM 172 N ILE A 7 -11.404 -53.155 -3.731 1.00 0.00 N ATOM 173 CA ILE A 7 -11.778 -52.433 -2.497 1.00 0.00 C ATOM 174 C ILE A 7 -11.304 -50.967 -2.494 1.00 0.00 C ATOM 175 O ILE A 7 -11.261 -50.322 -1.447 1.00 0.00 O ATOM 176 CB ILE A 7 -11.339 -53.224 -1.235 1.00 0.00 C ATOM 177 CG1 ILE A 7 -9.853 -53.654 -1.205 1.00 0.00 C ATOM 178 CG2 ILE A 7 -12.207 -54.487 -1.087 1.00 0.00 C ATOM 179 CD1 ILE A 7 -8.837 -52.508 -1.145 1.00 0.00 C ATOM 0 H ILE A 7 -10.421 -53.026 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.866 -52.373 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.474 -52.526 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.697 -54.301 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.648 -54.253 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.897 -55.040 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -13.254 -54.200 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.086 -55.117 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.827 -52.918 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.955 -51.871 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -9.005 -51.919 -0.243 1.00 0.00 H new ATOM 191 N ILE A 8 -10.944 -50.444 -3.676 1.00 0.00 N ATOM 192 CA ILE A 8 -10.403 -49.080 -3.902 1.00 0.00 C ATOM 193 C ILE A 8 -11.091 -47.946 -3.113 1.00 0.00 C ATOM 194 O ILE A 8 -10.417 -47.045 -2.607 1.00 0.00 O ATOM 195 CB ILE A 8 -10.388 -48.771 -5.422 1.00 0.00 C ATOM 196 CG1 ILE A 8 -9.670 -47.429 -5.710 1.00 0.00 C ATOM 197 CG2 ILE A 8 -11.794 -48.810 -6.058 1.00 0.00 C ATOM 198 CD1 ILE A 8 -9.526 -47.068 -7.195 1.00 0.00 C ATOM 0 H ILE A 8 -11.022 -50.977 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.389 -49.099 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.819 -49.570 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.216 -46.629 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.676 -47.464 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.718 -48.586 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.226 -49.802 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.432 -48.070 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.011 -46.112 -7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.951 -47.842 -7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.514 -46.993 -7.649 1.00 0.00 H new ATOM 210 N ASN A 9 -12.414 -48.004 -2.976 1.00 0.00 N ATOM 211 CA ASN A 9 -13.235 -47.051 -2.222 1.00 0.00 C ATOM 212 C ASN A 9 -14.019 -47.773 -1.118 1.00 0.00 C ATOM 213 O ASN A 9 -14.949 -48.529 -1.410 1.00 0.00 O ATOM 214 CB ASN A 9 -14.156 -46.302 -3.202 1.00 0.00 C ATOM 215 CG ASN A 9 -13.413 -45.210 -3.941 1.00 0.00 C ATOM 216 OD1 ASN A 9 -13.149 -45.278 -5.133 1.00 0.00 O ATOM 217 ND2 ASN A 9 -13.049 -44.166 -3.233 1.00 0.00 N ATOM 0 H ASN A 9 -12.969 -48.745 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.600 -46.319 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.575 -47.007 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.993 -45.868 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.541 -43.401 -3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.275 -44.120 -2.239 1.00 0.00 H new ATOM 224 N ASP A 10 -13.628 -47.565 0.146 1.00 0.00 N ATOM 225 CA ASP A 10 -14.110 -48.358 1.278 1.00 0.00 C ATOM 226 C ASP A 10 -13.776 -47.666 2.604 1.00 0.00 C ATOM 227 O ASP A 10 -12.960 -48.130 3.403 1.00 0.00 O ATOM 228 CB ASP A 10 -13.489 -49.758 1.194 1.00 0.00 C ATOM 229 CG ASP A 10 -14.036 -50.727 2.258 1.00 0.00 C ATOM 230 OD1 ASP A 10 -13.271 -51.600 2.733 1.00 0.00 O ATOM 231 OD2 ASP A 10 -15.241 -50.649 2.602 1.00 0.00 O ATOM 0 H ASP A 10 -12.964 -46.837 0.411 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.195 -48.450 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.676 -50.173 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.408 -49.677 1.307 1.00 0.00 H new ATOM 236 N ILE A 11 -14.359 -46.477 2.774 1.00 0.00 N ATOM 237 CA ILE A 11 -14.047 -45.513 3.823 1.00 0.00 C ATOM 238 C ILE A 11 -12.525 -45.262 3.896 1.00 0.00 C ATOM 239 O ILE A 11 -11.846 -45.532 4.891 1.00 0.00 O ATOM 240 CB ILE A 11 -14.745 -45.914 5.139 1.00 0.00 C ATOM 241 CG1 ILE A 11 -16.249 -46.254 4.959 1.00 0.00 C ATOM 242 CG2 ILE A 11 -14.600 -44.757 6.141 1.00 0.00 C ATOM 243 CD1 ILE A 11 -16.930 -46.782 6.229 1.00 0.00 C ATOM 0 H ILE A 11 -15.097 -46.148 2.152 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.460 -44.532 3.589 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.262 -46.821 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.775 -45.360 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.350 -46.999 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.088 -45.024 7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.543 -44.565 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.066 -43.861 5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -17.978 -46.995 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.433 -47.695 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.864 -46.031 7.016 1.00 0.00 H new ATOM 255 N LYS A 12 -11.982 -44.789 2.765 1.00 0.00 N ATOM 256 CA LYS A 12 -10.552 -44.477 2.591 1.00 0.00 C ATOM 257 C LYS A 12 -10.331 -43.305 1.625 1.00 0.00 C ATOM 258 O LYS A 12 -9.672 -42.335 2.000 1.00 0.00 O ATOM 259 CB LYS A 12 -9.801 -45.767 2.173 1.00 0.00 C ATOM 260 CG LYS A 12 -8.344 -45.845 2.669 1.00 0.00 C ATOM 261 CD LYS A 12 -7.322 -44.994 1.902 1.00 0.00 C ATOM 262 CE LYS A 12 -7.080 -45.530 0.484 1.00 0.00 C ATOM 263 NZ LYS A 12 -6.239 -44.595 -0.304 1.00 0.00 N ATOM 0 H LYS A 12 -12.534 -44.608 1.927 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.137 -44.137 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.348 -46.630 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.806 -45.839 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.322 -45.546 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.023 -46.886 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.676 -43.965 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.380 -44.977 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.594 -46.504 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.035 -45.678 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.091 -44.981 -1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.716 -43.674 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.320 -44.474 0.167 1.00 0.00 H new ATOM 608 N LEU A 35 -9.936 3.752 -0.492 1.00 0.00 N ATOM 609 CA LEU A 35 -9.191 4.221 0.687 1.00 0.00 C ATOM 610 C LEU A 35 -9.855 5.471 1.303 1.00 0.00 C ATOM 611 O LEU A 35 -10.540 6.227 0.606 1.00 0.00 O ATOM 612 CB LEU A 35 -7.739 4.507 0.250 1.00 0.00 C ATOM 613 CG LEU A 35 -6.946 3.233 -0.114 1.00 0.00 C ATOM 614 CD1 LEU A 35 -6.001 3.491 -1.285 1.00 0.00 C ATOM 615 CD2 LEU A 35 -6.111 2.745 1.071 1.00 0.00 C ATOM 0 HA LEU A 35 -9.196 3.455 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.751 5.176 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.222 5.031 1.054 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.679 2.474 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.455 2.577 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.577 3.804 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.295 4.277 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.564 1.847 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.405 3.522 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.768 2.518 1.910 1.00 0.00 H new ATOM 627 N SER A 36 -9.620 5.719 2.597 1.00 0.00 N ATOM 628 CA SER A 36 -9.964 7.005 3.241 1.00 0.00 C ATOM 629 C SER A 36 -8.985 8.105 2.798 1.00 0.00 C ATOM 630 O SER A 36 -7.935 7.799 2.242 1.00 0.00 O ATOM 631 CB SER A 36 -9.984 6.845 4.766 1.00 0.00 C ATOM 632 OG SER A 36 -10.513 8.008 5.381 1.00 0.00 O ATOM 0 H SER A 36 -9.189 5.043 3.228 1.00 0.00 H new ATOM 0 HA SER A 36 -10.963 7.307 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.585 5.977 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.974 6.661 5.131 1.00 0.00 H new ATOM 0 HG SER A 36 -10.520 7.889 6.354 1.00 0.00 H new ATOM 638 N GLU A 37 -9.278 9.386 3.033 1.00 0.00 N ATOM 639 CA GLU A 37 -8.464 10.502 2.525 1.00 0.00 C ATOM 640 C GLU A 37 -7.006 10.455 3.025 1.00 0.00 C ATOM 641 O GLU A 37 -6.073 10.603 2.236 1.00 0.00 O ATOM 642 CB GLU A 37 -9.151 11.822 2.912 1.00 0.00 C ATOM 643 CG GLU A 37 -8.600 13.049 2.176 1.00 0.00 C ATOM 644 CD GLU A 37 -9.119 13.140 0.725 1.00 0.00 C ATOM 645 OE1 GLU A 37 -8.616 12.408 -0.162 1.00 0.00 O ATOM 646 OE2 GLU A 37 -10.041 13.950 0.460 1.00 0.00 O ATOM 0 H GLU A 37 -10.086 9.683 3.581 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.400 10.420 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.219 11.738 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.042 11.976 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.881 13.952 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.511 13.007 2.169 1.00 0.00 H new ATOM 653 N GLN A 38 -6.788 10.160 4.312 1.00 0.00 N ATOM 654 CA GLN A 38 -5.443 9.997 4.881 1.00 0.00 C ATOM 655 C GLN A 38 -4.800 8.674 4.433 1.00 0.00 C ATOM 656 O GLN A 38 -3.627 8.648 4.062 1.00 0.00 O ATOM 657 CB GLN A 38 -5.527 10.088 6.413 1.00 0.00 C ATOM 658 CG GLN A 38 -4.139 10.208 7.065 1.00 0.00 C ATOM 659 CD GLN A 38 -4.195 9.916 8.562 1.00 0.00 C ATOM 660 OE1 GLN A 38 -4.218 10.804 9.406 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.234 8.655 8.944 1.00 0.00 N ATOM 0 H GLN A 38 -7.539 10.027 4.989 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.803 10.798 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.133 10.950 6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.033 9.204 6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.449 9.515 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.746 11.212 6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.215 7.910 8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.283 8.424 9.936 1.00 0.00 H new ATOM 670 N GLN A 39 -5.574 7.582 4.414 1.00 0.00 N ATOM 671 CA GLN A 39 -5.122 6.265 3.943 1.00 0.00 C ATOM 672 C GLN A 39 -4.608 6.343 2.495 1.00 0.00 C ATOM 673 O GLN A 39 -3.531 5.840 2.186 1.00 0.00 O ATOM 674 CB GLN A 39 -6.272 5.251 4.064 1.00 0.00 C ATOM 675 CG GLN A 39 -6.663 4.879 5.508 1.00 0.00 C ATOM 676 CD GLN A 39 -5.914 3.657 6.040 1.00 0.00 C ATOM 677 OE1 GLN A 39 -6.024 2.556 5.519 1.00 0.00 O ATOM 678 NE2 GLN A 39 -5.146 3.785 7.101 1.00 0.00 N ATOM 0 H GLN A 39 -6.544 7.587 4.729 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.292 5.934 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.149 5.657 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.991 4.341 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.467 5.730 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.735 4.686 5.549 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.042 4.696 7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.654 2.974 7.476 1.00 0.00 H new ATOM 687 N LYS A 40 -5.323 7.058 1.620 1.00 0.00 N ATOM 688 CA LYS A 40 -4.947 7.296 0.221 1.00 0.00 C ATOM 689 C LYS A 40 -3.606 8.025 0.113 1.00 0.00 C ATOM 690 O LYS A 40 -2.775 7.624 -0.697 1.00 0.00 O ATOM 691 CB LYS A 40 -6.087 8.088 -0.440 1.00 0.00 C ATOM 692 CG LYS A 40 -5.869 8.357 -1.935 1.00 0.00 C ATOM 693 CD LYS A 40 -6.942 9.296 -2.506 1.00 0.00 C ATOM 694 CE LYS A 40 -8.351 8.686 -2.473 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.363 9.642 -2.994 1.00 0.00 N ATOM 0 H LYS A 40 -6.206 7.501 1.873 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.808 6.347 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.020 7.539 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.203 9.040 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.883 8.797 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.884 7.413 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.942 10.227 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.685 9.549 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.369 7.773 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.605 8.405 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.305 9.203 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.361 10.503 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.132 9.890 -3.977 1.00 0.00 H new ATOM 709 N ILE A 41 -3.355 9.037 0.948 1.00 0.00 N ATOM 710 CA ILE A 41 -2.076 9.767 0.960 1.00 0.00 C ATOM 711 C ILE A 41 -0.941 8.880 1.481 1.00 0.00 C ATOM 712 O ILE A 41 0.132 8.903 0.894 1.00 0.00 O ATOM 713 CB ILE A 41 -2.173 11.072 1.775 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.241 12.027 1.188 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.822 11.814 1.840 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.757 13.059 2.199 1.00 0.00 C ATOM 0 H ILE A 41 -4.029 9.376 1.635 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.848 10.040 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.463 10.779 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.818 12.550 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.081 11.438 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.936 12.727 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.077 11.173 2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.497 12.067 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.502 13.695 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.209 12.544 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.927 13.672 2.549 1.00 0.00 H new ATOM 728 N ILE A 42 -1.145 8.064 2.523 1.00 0.00 N ATOM 729 CA ILE A 42 -0.097 7.154 3.030 1.00 0.00 C ATOM 730 C ILE A 42 0.267 6.111 1.964 1.00 0.00 C ATOM 731 O ILE A 42 1.445 5.863 1.702 1.00 0.00 O ATOM 732 CB ILE A 42 -0.538 6.467 4.337 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.796 7.484 5.470 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.535 5.464 4.804 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.754 6.914 6.521 1.00 0.00 C ATOM 0 H ILE A 42 -2.025 8.012 3.035 1.00 0.00 H new ATOM 0 HA ILE A 42 0.789 7.749 3.251 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.472 5.948 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.149 7.752 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.214 8.400 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.209 4.987 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.682 4.705 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.473 5.990 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.916 7.654 7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.707 6.670 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.322 6.013 6.956 1.00 0.00 H new ATOM 747 N LEU A 43 -0.754 5.545 1.317 1.00 0.00 N ATOM 748 CA LEU A 43 -0.616 4.593 0.215 1.00 0.00 C ATOM 749 C LEU A 43 0.164 5.230 -0.950 1.00 0.00 C ATOM 750 O LEU A 43 1.161 4.677 -1.417 1.00 0.00 O ATOM 751 CB LEU A 43 -2.041 4.122 -0.158 1.00 0.00 C ATOM 752 CG LEU A 43 -2.215 3.049 -1.246 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.056 3.598 -2.664 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.296 1.850 -1.035 1.00 0.00 C ATOM 0 H LEU A 43 -1.727 5.742 1.553 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.030 3.718 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.511 3.747 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.606 5.000 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.245 2.709 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.190 2.791 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.804 4.370 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.060 4.025 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.459 1.122 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.257 2.180 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.514 1.389 -0.072 1.00 0.00 H new ATOM 766 N ALA A 44 -0.244 6.429 -1.368 1.00 0.00 N ATOM 767 CA ALA A 44 0.370 7.171 -2.460 1.00 0.00 C ATOM 768 C ALA A 44 1.809 7.609 -2.151 1.00 0.00 C ATOM 769 O ALA A 44 2.703 7.327 -2.944 1.00 0.00 O ATOM 770 CB ALA A 44 -0.512 8.383 -2.759 1.00 0.00 C ATOM 0 H ALA A 44 -1.031 6.920 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 44 0.441 6.517 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.075 8.959 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.508 8.046 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.583 9.010 -1.870 1.00 0.00 H new ATOM 776 N GLU A 45 2.060 8.247 -1.003 1.00 0.00 N ATOM 777 CA GLU A 45 3.399 8.724 -0.621 1.00 0.00 C ATOM 778 C GLU A 45 4.433 7.591 -0.502 1.00 0.00 C ATOM 779 O GLU A 45 5.624 7.836 -0.689 1.00 0.00 O ATOM 780 CB GLU A 45 3.325 9.501 0.706 1.00 0.00 C ATOM 781 CG GLU A 45 2.688 10.893 0.568 1.00 0.00 C ATOM 782 CD GLU A 45 3.630 11.889 -0.137 1.00 0.00 C ATOM 783 OE1 GLU A 45 3.521 12.066 -1.375 1.00 0.00 O ATOM 784 OE2 GLU A 45 4.480 12.512 0.543 1.00 0.00 O ATOM 0 H GLU A 45 1.340 8.449 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 45 3.736 9.380 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.752 8.918 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.331 9.609 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.758 10.812 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.431 11.274 1.556 1.00 0.00 H new ATOM 791 N TYR A 46 4.003 6.349 -0.251 1.00 0.00 N ATOM 792 CA TYR A 46 4.881 5.180 -0.203 1.00 0.00 C ATOM 793 C TYR A 46 5.346 4.770 -1.615 1.00 0.00 C ATOM 794 O TYR A 46 6.538 4.810 -1.917 1.00 0.00 O ATOM 795 CB TYR A 46 4.141 4.070 0.558 1.00 0.00 C ATOM 796 CG TYR A 46 4.860 2.754 0.793 1.00 0.00 C ATOM 797 CD1 TYR A 46 4.090 1.642 1.182 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.258 2.625 0.657 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.705 0.398 1.414 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.877 1.385 0.898 1.00 0.00 C ATOM 801 CZ TYR A 46 6.102 0.268 1.271 1.00 0.00 C ATOM 802 OH TYR A 46 6.696 -0.936 1.467 1.00 0.00 O ATOM 0 H TYR A 46 3.023 6.128 -0.074 1.00 0.00 H new ATOM 0 HA TYR A 46 5.804 5.404 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.853 4.469 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.220 3.853 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.022 1.744 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.853 3.478 0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.109 -0.455 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.948 1.289 0.797 1.00 0.00 H new ATOM 0 HH TYR A 46 7.662 -0.851 1.328 1.00 0.00 H new ATOM 812 N ILE A 47 4.413 4.470 -2.523 1.00 0.00 N ATOM 813 CA ILE A 47 4.658 4.144 -3.936 1.00 0.00 C ATOM 814 C ILE A 47 5.357 5.299 -4.671 1.00 0.00 C ATOM 815 O ILE A 47 6.205 5.058 -5.525 1.00 0.00 O ATOM 816 CB ILE A 47 3.291 3.812 -4.555 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.858 2.413 -4.061 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.275 3.852 -6.093 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.338 2.243 -3.967 1.00 0.00 C ATOM 0 H ILE A 47 3.421 4.446 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 47 5.334 3.293 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 47 2.593 4.585 -4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.259 1.657 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.298 2.230 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.276 3.607 -6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.548 4.851 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.989 3.127 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.105 1.238 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.932 2.976 -3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.893 2.394 -4.951 1.00 0.00 H new ATOM 831 N ALA A 48 5.070 6.551 -4.315 1.00 0.00 N ATOM 832 CA ALA A 48 5.737 7.730 -4.868 1.00 0.00 C ATOM 833 C ALA A 48 7.208 7.868 -4.416 1.00 0.00 C ATOM 834 O ALA A 48 8.001 8.519 -5.101 1.00 0.00 O ATOM 835 CB ALA A 48 4.915 8.955 -4.465 1.00 0.00 C ATOM 0 H ALA A 48 4.356 6.778 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 48 5.785 7.632 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.385 9.855 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.906 8.865 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.867 9.020 -3.378 1.00 0.00 H new ATOM 841 N GLU A 49 7.587 7.253 -3.291 1.00 0.00 N ATOM 842 CA GLU A 49 8.954 7.268 -2.754 1.00 0.00 C ATOM 843 C GLU A 49 9.784 6.053 -3.206 1.00 0.00 C ATOM 844 O GLU A 49 10.992 6.199 -3.412 1.00 0.00 O ATOM 845 CB GLU A 49 8.887 7.374 -1.219 1.00 0.00 C ATOM 846 CG GLU A 49 10.232 7.643 -0.526 1.00 0.00 C ATOM 847 CD GLU A 49 10.772 9.056 -0.831 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.361 10.027 -0.150 1.00 0.00 O ATOM 849 OE2 GLU A 49 11.624 9.210 -1.740 1.00 0.00 O ATOM 0 H GLU A 49 6.938 6.718 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 49 9.472 8.139 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.194 8.173 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.471 6.447 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.114 7.526 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.961 6.900 -0.849 1.00 0.00 H new ATOM 856 N VAL A 50 9.175 4.868 -3.400 1.00 0.00 N ATOM 857 CA VAL A 50 9.921 3.631 -3.709 1.00 0.00 C ATOM 858 C VAL A 50 9.541 2.993 -5.045 1.00 0.00 C ATOM 859 O VAL A 50 10.328 2.221 -5.581 1.00 0.00 O ATOM 860 CB VAL A 50 9.854 2.600 -2.560 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.254 3.216 -1.213 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.490 1.920 -2.396 1.00 0.00 C ATOM 0 H VAL A 50 8.164 4.740 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 50 10.957 3.953 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 50 10.571 1.834 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.193 2.457 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.275 3.592 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.578 4.037 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.533 1.213 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.730 2.674 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.235 1.389 -3.313 1.00 0.00 H new ATOM 872 N GLY A 51 8.376 3.310 -5.610 1.00 0.00 N ATOM 873 CA GLY A 51 7.809 2.646 -6.789 1.00 0.00 C ATOM 874 C GLY A 51 7.055 1.365 -6.423 1.00 0.00 C ATOM 875 O GLY A 51 7.476 0.608 -5.547 1.00 0.00 O ATOM 0 H GLY A 51 7.782 4.057 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.132 3.331 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.609 2.407 -7.490 1.00 0.00 H new ATOM 879 N LEU A 52 5.939 1.085 -7.103 1.00 0.00 N ATOM 880 CA LEU A 52 5.001 0.010 -6.730 1.00 0.00 C ATOM 881 C LEU A 52 5.573 -1.420 -6.840 1.00 0.00 C ATOM 882 O LEU A 52 5.006 -2.391 -6.343 1.00 0.00 O ATOM 883 CB LEU A 52 3.724 0.186 -7.574 1.00 0.00 C ATOM 884 CG LEU A 52 2.533 -0.665 -7.083 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.274 0.187 -6.998 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.250 -1.840 -8.020 1.00 0.00 C ATOM 0 H LEU A 52 5.654 1.600 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 52 4.784 0.111 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.436 1.237 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.944 -0.076 -8.609 1.00 0.00 H new ATOM 0 HG LEU A 52 2.803 -1.050 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.443 -0.426 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.437 1.008 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.040 0.590 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.405 -2.414 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.014 -1.463 -9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.129 -2.482 -8.075 1.00 0.00 H new ATOM 898 N GLN A 53 6.736 -1.534 -7.465 1.00 0.00 N ATOM 899 CA GLN A 53 7.520 -2.768 -7.596 1.00 0.00 C ATOM 900 C GLN A 53 8.341 -3.094 -6.334 1.00 0.00 C ATOM 901 O GLN A 53 8.740 -4.245 -6.147 1.00 0.00 O ATOM 902 CB GLN A 53 8.457 -2.636 -8.807 1.00 0.00 C ATOM 903 CG GLN A 53 7.695 -2.536 -10.137 1.00 0.00 C ATOM 904 CD GLN A 53 8.643 -2.248 -11.294 1.00 0.00 C ATOM 905 OE1 GLN A 53 8.992 -3.112 -12.088 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.091 -1.018 -11.433 1.00 0.00 N ATOM 0 H GLN A 53 7.185 -0.737 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 53 6.819 -3.591 -7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.082 -1.751 -8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.126 -3.496 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.161 -3.468 -10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.946 -1.747 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.804 -0.293 -10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.725 -0.790 -12.199 1.00 0.00 H new ATOM 915 N ASN A 54 8.607 -2.097 -5.477 1.00 0.00 N ATOM 916 CA ASN A 54 9.517 -2.208 -4.325 1.00 0.00 C ATOM 917 C ASN A 54 8.815 -2.191 -2.957 1.00 0.00 C ATOM 918 O ASN A 54 9.449 -2.446 -1.929 1.00 0.00 O ATOM 919 CB ASN A 54 10.596 -1.119 -4.430 1.00 0.00 C ATOM 920 CG ASN A 54 11.368 -1.192 -5.736 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.026 -2.173 -6.052 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.288 -0.163 -6.545 1.00 0.00 N ATOM 0 H ASN A 54 8.187 -1.172 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 54 9.979 -3.194 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.128 -0.138 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.290 -1.217 -3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.775 -0.179 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.738 0.654 -6.278 1.00 0.00 H new ATOM 929 N ILE A 55 7.506 -1.936 -2.941 1.00 0.00 N ATOM 930 CA ILE A 55 6.646 -2.159 -1.769 1.00 0.00 C ATOM 931 C ILE A 55 6.417 -3.656 -1.516 1.00 0.00 C ATOM 932 O ILE A 55 6.549 -4.489 -2.417 1.00 0.00 O ATOM 933 CB ILE A 55 5.303 -1.401 -1.868 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.357 -2.004 -2.925 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.537 0.098 -2.113 1.00 0.00 C ATOM 936 CD1 ILE A 55 3.031 -1.254 -3.045 1.00 0.00 C ATOM 0 H ILE A 55 7.004 -1.565 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 55 7.180 -1.749 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 55 4.802 -1.516 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.857 -2.002 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.156 -3.045 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.577 0.610 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.115 0.516 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.085 0.233 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.412 -1.729 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.511 -1.278 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.223 -0.219 -3.328 1.00 0.00 H new ATOM 948 N THR A 56 6.007 -3.989 -0.295 1.00 0.00 N ATOM 949 CA THR A 56 5.607 -5.337 0.129 1.00 0.00 C ATOM 950 C THR A 56 4.270 -5.279 0.855 1.00 0.00 C ATOM 951 O THR A 56 4.023 -4.338 1.599 1.00 0.00 O ATOM 952 CB THR A 56 6.673 -5.967 1.050 1.00 0.00 C ATOM 953 OG1 THR A 56 7.305 -5.006 1.866 1.00 0.00 O ATOM 954 CG2 THR A 56 7.761 -6.671 0.242 1.00 0.00 C ATOM 0 H THR A 56 5.940 -3.305 0.458 1.00 0.00 H new ATOM 0 HA THR A 56 5.511 -5.958 -0.761 1.00 0.00 H new ATOM 0 HB THR A 56 6.138 -6.683 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.075 -5.414 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.496 -7.104 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.313 -7.462 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.252 -5.951 -0.413 1.00 0.00 H new ATOM 962 N ALA A 57 3.414 -6.293 0.700 1.00 0.00 N ATOM 963 CA ALA A 57 2.129 -6.392 1.396 1.00 0.00 C ATOM 964 C ALA A 57 2.299 -6.490 2.919 1.00 0.00 C ATOM 965 O ALA A 57 1.439 -6.038 3.667 1.00 0.00 O ATOM 966 CB ALA A 57 1.388 -7.623 0.870 1.00 0.00 C ATOM 0 H ALA A 57 3.598 -7.080 0.078 1.00 0.00 H new ATOM 0 HA ALA A 57 1.558 -5.484 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.427 -7.714 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.224 -7.518 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.984 -8.515 1.060 1.00 0.00 H new ATOM 972 N ILE A 58 3.433 -7.033 3.374 1.00 0.00 N ATOM 973 CA ILE A 58 3.836 -7.103 4.781 1.00 0.00 C ATOM 974 C ILE A 58 4.006 -5.682 5.326 1.00 0.00 C ATOM 975 O ILE A 58 3.425 -5.319 6.345 1.00 0.00 O ATOM 976 CB ILE A 58 5.160 -7.898 4.903 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.993 -9.424 4.696 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.781 -7.703 6.302 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.537 -9.884 3.304 1.00 0.00 C ATOM 0 H ILE A 58 4.121 -7.451 2.748 1.00 0.00 H new ATOM 0 HA ILE A 58 3.071 -7.616 5.364 1.00 0.00 H new ATOM 0 HB ILE A 58 5.798 -7.504 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.946 -9.904 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.273 -9.790 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.710 -8.269 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.987 -6.645 6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.084 -8.057 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.458 -10.971 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.565 -9.446 3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.264 -9.562 2.558 1.00 0.00 H new ATOM 991 N THR A 59 4.788 -4.862 4.629 1.00 0.00 N ATOM 992 CA THR A 59 5.084 -3.492 5.040 1.00 0.00 C ATOM 993 C THR A 59 3.875 -2.596 4.813 1.00 0.00 C ATOM 994 O THR A 59 3.496 -1.863 5.716 1.00 0.00 O ATOM 995 CB THR A 59 6.324 -3.005 4.290 1.00 0.00 C ATOM 996 OG1 THR A 59 7.429 -3.792 4.678 1.00 0.00 O ATOM 997 CG2 THR A 59 6.688 -1.557 4.589 1.00 0.00 C ATOM 0 H THR A 59 5.238 -5.132 3.755 1.00 0.00 H new ATOM 0 HA THR A 59 5.300 -3.456 6.108 1.00 0.00 H new ATOM 0 HB THR A 59 6.091 -3.087 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.692 -4.375 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.577 -1.281 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.860 -0.908 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.888 -1.445 5.655 1.00 0.00 H new ATOM 1005 N LEU A 60 3.180 -2.718 3.679 1.00 0.00 N ATOM 1006 CA LEU A 60 1.941 -1.997 3.387 1.00 0.00 C ATOM 1007 C LEU A 60 0.835 -2.311 4.413 1.00 0.00 C ATOM 1008 O LEU A 60 0.128 -1.401 4.845 1.00 0.00 O ATOM 1009 CB LEU A 60 1.522 -2.317 1.934 1.00 0.00 C ATOM 1010 CG LEU A 60 0.457 -1.382 1.343 1.00 0.00 C ATOM 1011 CD1 LEU A 60 1.033 0.014 1.149 1.00 0.00 C ATOM 1012 CD2 LEU A 60 0.003 -1.889 -0.024 1.00 0.00 C ATOM 0 H LEU A 60 3.471 -3.336 2.921 1.00 0.00 H new ATOM 0 HA LEU A 60 2.110 -0.924 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.408 -2.280 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.146 -3.340 1.897 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.384 -1.356 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.269 0.668 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.361 0.409 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.883 -0.034 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.752 -1.215 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.857 -1.926 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.421 -2.888 0.081 1.00 0.00 H new ATOM 1024 N SER A 61 0.773 -3.555 4.912 1.00 0.00 N ATOM 1025 CA SER A 61 -0.084 -3.950 6.042 1.00 0.00 C ATOM 1026 C SER A 61 0.151 -3.110 7.295 1.00 0.00 C ATOM 1027 O SER A 61 -0.784 -2.745 8.010 1.00 0.00 O ATOM 1028 CB SER A 61 0.051 -5.450 6.332 1.00 0.00 C ATOM 1029 OG SER A 61 -0.765 -5.845 7.417 1.00 0.00 O ATOM 0 H SER A 61 1.325 -4.327 4.537 1.00 0.00 H new ATOM 0 HA SER A 61 -1.112 -3.751 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.223 -6.019 5.444 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.092 -5.686 6.554 1.00 0.00 H new ATOM 0 HG SER A 61 -1.529 -5.236 7.490 1.00 0.00 H new ATOM 1035 N LYS A 62 1.401 -2.706 7.502 1.00 0.00 N ATOM 1036 CA LYS A 62 1.852 -1.939 8.666 1.00 0.00 C ATOM 1037 C LYS A 62 1.962 -0.427 8.429 1.00 0.00 C ATOM 1038 O LYS A 62 1.839 0.330 9.391 1.00 0.00 O ATOM 1039 CB LYS A 62 3.154 -2.541 9.236 1.00 0.00 C ATOM 1040 CG LYS A 62 2.891 -3.569 10.353 1.00 0.00 C ATOM 1041 CD LYS A 62 2.424 -4.960 9.889 1.00 0.00 C ATOM 1042 CE LYS A 62 3.555 -5.806 9.284 1.00 0.00 C ATOM 1043 NZ LYS A 62 4.500 -6.316 10.315 1.00 0.00 N ATOM 0 H LYS A 62 2.154 -2.908 6.845 1.00 0.00 H new ATOM 0 HA LYS A 62 1.066 -2.032 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.712 -3.019 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.781 -1.739 9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.806 -3.689 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.138 -3.160 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.993 -5.493 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.631 -4.843 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.124 -6.648 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.104 -5.207 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.224 -6.908 9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.959 -5.514 10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.979 -6.883 11.014 1.00 0.00 H new ATOM 1057 N LYS A 63 2.102 0.037 7.179 1.00 0.00 N ATOM 1058 CA LYS A 63 2.085 1.464 6.817 1.00 0.00 C ATOM 1059 C LYS A 63 0.722 2.094 7.117 1.00 0.00 C ATOM 1060 O LYS A 63 0.651 3.228 7.584 1.00 0.00 O ATOM 1061 CB LYS A 63 2.411 1.589 5.317 1.00 0.00 C ATOM 1062 CG LYS A 63 3.884 1.357 4.947 1.00 0.00 C ATOM 1063 CD LYS A 63 4.810 2.514 5.338 1.00 0.00 C ATOM 1064 CE LYS A 63 6.178 2.325 4.670 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.126 3.406 5.048 1.00 0.00 N ATOM 0 H LYS A 63 2.233 -0.579 6.376 1.00 0.00 H new ATOM 0 HA LYS A 63 2.829 1.996 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.798 0.875 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.121 2.584 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.232 0.446 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.957 1.193 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.372 3.464 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.925 2.551 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.593 1.359 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.056 2.310 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.040 3.246 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.740 4.325 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.262 3.404 6.079 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.350 1.334 6.866 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.746 1.783 6.944 1.00 0.00 C ATOM 1081 C LEU A 64 -2.558 1.139 8.084 1.00 0.00 C ATOM 1082 O LEU A 64 -3.736 1.462 8.240 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.395 1.532 5.573 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.766 2.391 4.462 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.069 1.543 3.404 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.814 3.235 3.759 1.00 0.00 C ATOM 0 H LEU A 64 -0.267 0.355 6.593 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.748 2.845 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.296 0.478 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.462 1.746 5.634 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.034 3.028 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.641 2.193 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.276 0.959 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.792 0.870 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.339 3.831 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.565 2.584 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.292 3.897 4.481 1.00 0.00 H new ATOM 1098 N ASN A 65 -1.942 0.252 8.876 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.596 -0.571 9.908 1.00 0.00 C ATOM 1100 C ASN A 65 -3.784 -1.394 9.356 1.00 0.00 C ATOM 1101 O ASN A 65 -4.881 -1.403 9.921 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.929 0.274 11.156 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.715 0.964 11.751 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -0.922 0.369 12.467 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.521 2.234 11.470 1.00 0.00 N ATOM 0 H ASN A 65 -0.938 0.080 8.816 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.884 -1.328 10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.672 1.026 10.890 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.381 -0.368 11.912 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.710 2.722 11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.182 2.731 10.873 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.555 -2.072 8.225 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.509 -2.944 7.519 1.00 0.00 C ATOM 1114 C ILE A 66 -4.170 -4.433 7.753 1.00 0.00 C ATOM 1115 O ILE A 66 -3.461 -4.769 8.704 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.585 -2.544 6.023 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.218 -2.551 5.294 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.341 -1.221 5.877 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.213 -1.950 3.880 1.00 0.00 C ATOM 0 H ILE A 66 -2.653 -2.027 7.751 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.510 -2.805 7.928 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.150 -3.321 5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.499 -2.004 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.865 -3.581 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.391 -0.945 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.351 -1.334 6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.820 -0.441 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.207 -2.007 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.900 -2.509 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.528 -0.908 3.927 1.00 0.00 H new ATOM 1131 N THR A 67 -4.701 -5.333 6.919 1.00 0.00 N ATOM 1132 CA THR A 67 -4.281 -6.743 6.840 1.00 0.00 C ATOM 1133 C THR A 67 -3.341 -6.954 5.650 1.00 0.00 C ATOM 1134 O THR A 67 -3.381 -6.191 4.679 1.00 0.00 O ATOM 1135 CB THR A 67 -5.470 -7.730 6.795 1.00 0.00 C ATOM 1136 OG1 THR A 67 -5.836 -8.033 5.469 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.747 -7.224 7.471 1.00 0.00 C ATOM 0 H THR A 67 -5.449 -5.101 6.266 1.00 0.00 H new ATOM 0 HA THR A 67 -3.742 -6.964 7.761 1.00 0.00 H new ATOM 0 HB THR A 67 -5.096 -8.598 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.589 -8.660 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.526 -7.982 7.390 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.546 -7.021 8.523 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.079 -6.308 6.982 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.543 -8.029 5.666 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.715 -8.427 4.508 1.00 0.00 C ATOM 1147 C VAL A 68 -2.584 -8.738 3.284 1.00 0.00 C ATOM 1148 O VAL A 68 -2.162 -8.497 2.159 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.816 -9.634 4.859 1.00 0.00 C ATOM 1150 CG1 VAL A 68 0.059 -10.095 3.681 1.00 0.00 C ATOM 1151 CG2 VAL A 68 0.138 -9.290 6.010 1.00 0.00 C ATOM 0 H VAL A 68 -2.449 -8.647 6.472 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.071 -7.584 4.258 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.505 -10.432 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.667 -10.945 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.579 -10.389 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.710 -9.278 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.760 -10.156 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.773 -8.454 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.440 -9.016 6.892 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.821 -9.199 3.468 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.727 -9.553 2.371 1.00 0.00 C ATOM 1163 C GLU A 69 -5.377 -8.289 1.796 1.00 0.00 C ATOM 1164 O GLU A 69 -5.548 -8.181 0.580 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.786 -10.549 2.876 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.157 -11.872 3.354 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.175 -12.873 3.946 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -7.190 -12.453 4.558 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -5.923 -14.102 3.876 1.00 0.00 O ATOM 0 H GLU A 69 -4.228 -9.339 4.392 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.163 -10.031 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.346 -10.098 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.499 -10.755 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.645 -12.343 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.400 -11.652 4.106 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.649 -7.284 2.647 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.186 -5.991 2.245 1.00 0.00 C ATOM 1178 C LYS A 70 -5.136 -5.198 1.468 1.00 0.00 C ATOM 1179 O LYS A 70 -5.421 -4.681 0.393 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.683 -5.242 3.483 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.867 -4.343 3.105 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.932 -3.159 4.062 1.00 0.00 C ATOM 1183 CE LYS A 70 -9.136 -2.235 3.826 1.00 0.00 C ATOM 1184 NZ LYS A 70 -10.416 -2.839 4.282 1.00 0.00 N ATOM 0 H LYS A 70 -5.495 -7.359 3.653 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.035 -6.131 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.985 -5.953 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.877 -4.640 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.756 -3.990 2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.797 -4.911 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.968 -3.533 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.015 -2.577 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.975 -1.293 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.207 -2.000 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.197 -2.176 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.586 -3.724 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.362 -3.039 5.301 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.904 -5.198 1.969 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.722 -4.630 1.330 1.00 0.00 C ATOM 1200 C ALA A 71 -2.417 -5.274 -0.031 1.00 0.00 C ATOM 1201 O ALA A 71 -2.172 -4.580 -1.019 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.546 -4.848 2.288 1.00 0.00 C ATOM 0 H ALA A 71 -3.693 -5.615 2.876 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.895 -3.572 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.637 -4.437 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.750 -4.347 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.413 -5.915 2.464 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.446 -6.610 -0.102 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.027 -7.377 -1.272 1.00 0.00 C ATOM 1210 C LYS A 72 -3.057 -7.315 -2.385 1.00 0.00 C ATOM 1211 O LYS A 72 -2.671 -7.405 -3.548 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.728 -8.814 -0.820 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.180 -9.724 -1.921 1.00 0.00 C ATOM 1214 CD LYS A 72 -0.726 -11.080 -1.355 1.00 0.00 C ATOM 1215 CE LYS A 72 0.585 -10.972 -0.561 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.078 -12.309 -0.134 1.00 0.00 N ATOM 0 H LYS A 72 -2.768 -7.195 0.669 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.122 -6.943 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.009 -8.782 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.643 -9.255 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.947 -9.883 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.340 -9.235 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.507 -11.481 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.595 -11.787 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.343 -10.483 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.429 -10.344 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.964 -12.198 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.365 -12.765 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.250 -12.900 -0.973 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.332 -7.074 -2.053 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.346 -6.820 -3.073 1.00 0.00 C ATOM 1232 C ASN A 73 -4.888 -5.690 -4.020 1.00 0.00 C ATOM 1233 O ASN A 73 -4.850 -5.878 -5.237 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.732 -6.572 -2.423 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.268 -5.158 -2.613 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.576 -4.735 -3.714 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.326 -4.353 -1.586 1.00 0.00 N ATOM 0 H ASN A 73 -4.679 -7.051 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.466 -7.707 -3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.448 -7.279 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.663 -6.782 -1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.626 -3.386 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.072 -4.691 -0.658 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.451 -4.559 -3.449 1.00 0.00 N ATOM 1245 CA TYR A 74 -4.064 -3.363 -4.192 1.00 0.00 C ATOM 1246 C TYR A 74 -2.875 -3.641 -5.113 1.00 0.00 C ATOM 1247 O TYR A 74 -2.826 -3.169 -6.245 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.633 -2.265 -3.213 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.603 -1.882 -2.115 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -4.108 -1.726 -0.805 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.957 -1.607 -2.405 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.956 -1.246 0.212 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.811 -1.151 -1.381 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.314 -0.973 -0.071 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.150 -0.542 0.912 1.00 0.00 O ATOM 0 H TYR A 74 -4.357 -4.453 -2.439 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.926 -3.054 -4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.702 -2.581 -2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.410 -1.368 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.081 -1.974 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.336 -1.745 -3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.569 -1.087 1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.847 -0.937 -1.598 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.046 -0.402 0.541 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.918 -4.439 -4.630 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.719 -4.821 -5.376 1.00 0.00 C ATOM 1267 C ILE A 75 -1.097 -5.732 -6.553 1.00 0.00 C ATOM 1268 O ILE A 75 -0.543 -5.572 -7.639 1.00 0.00 O ATOM 1269 CB ILE A 75 0.321 -5.459 -4.421 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.677 -4.471 -3.281 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.594 -5.862 -5.190 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.596 -5.040 -2.195 1.00 0.00 C ATOM 0 H ILE A 75 -1.957 -4.843 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.249 -3.936 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.118 -6.358 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.155 -3.593 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.247 -4.132 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.310 -6.308 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.338 -6.585 -5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.036 -4.978 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.787 -4.275 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.116 -5.899 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.539 -5.352 -2.643 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.073 -6.641 -6.390 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.475 -7.610 -7.407 1.00 0.00 C ATOM 1286 C LYS A 76 -3.252 -6.966 -8.555 1.00 0.00 C ATOM 1287 O LYS A 76 -3.020 -7.322 -9.709 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.224 -8.742 -6.692 1.00 0.00 C ATOM 1289 CG LYS A 76 -3.000 -10.099 -7.384 1.00 0.00 C ATOM 1290 CD LYS A 76 -3.402 -11.302 -6.511 1.00 0.00 C ATOM 1291 CE LYS A 76 -2.275 -11.679 -5.538 1.00 0.00 C ATOM 1292 NZ LYS A 76 -2.671 -12.795 -4.637 1.00 0.00 N ATOM 0 H LYS A 76 -2.612 -6.719 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.601 -8.030 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.890 -8.802 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.290 -8.516 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.572 -10.125 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.948 -10.191 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.306 -11.063 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.638 -12.155 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.388 -11.966 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.005 -10.808 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.884 -13.020 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.502 -12.513 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.905 -13.634 -5.205 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.152 -6.019 -8.263 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.984 -5.362 -9.272 1.00 0.00 C ATOM 1308 C ASN A 77 -4.319 -4.094 -9.816 1.00 0.00 C ATOM 1309 O ASN A 77 -4.259 -3.914 -11.034 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.418 -5.149 -8.740 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.546 -4.429 -7.404 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -5.921 -3.417 -7.136 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -7.382 -4.932 -6.531 1.00 0.00 N ATOM 0 H ASN A 77 -4.323 -5.687 -7.314 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.078 -6.020 -10.136 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.979 -4.586 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.897 -6.124 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.510 -4.477 -5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.905 -5.779 -6.755 1.00 0.00 H new ATOM 1597 N GLU A 95 4.147 19.229 -32.537 1.00 0.00 N ATOM 1598 CA GLU A 95 3.219 18.910 -33.633 1.00 0.00 C ATOM 1599 C GLU A 95 2.054 18.030 -33.144 1.00 0.00 C ATOM 1600 O GLU A 95 2.233 17.164 -32.282 1.00 0.00 O ATOM 1601 CB GLU A 95 3.956 18.201 -34.786 1.00 0.00 C ATOM 1602 CG GLU A 95 5.002 19.083 -35.481 1.00 0.00 C ATOM 1603 CD GLU A 95 5.618 18.360 -36.695 1.00 0.00 C ATOM 1604 OE1 GLU A 95 6.631 17.636 -36.531 1.00 0.00 O ATOM 1605 OE2 GLU A 95 5.101 18.517 -37.830 1.00 0.00 O ATOM 0 HA GLU A 95 2.811 19.853 -33.997 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.446 17.308 -34.398 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.225 17.869 -35.523 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.539 20.015 -35.805 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.788 19.347 -34.773 1.00 0.00 H new ATOM 1612 N GLU A 96 0.861 18.226 -33.712 1.00 0.00 N ATOM 1613 CA GLU A 96 -0.343 17.430 -33.431 1.00 0.00 C ATOM 1614 C GLU A 96 -1.198 17.281 -34.699 1.00 0.00 C ATOM 1615 O GLU A 96 -1.783 18.250 -35.190 1.00 0.00 O ATOM 1616 CB GLU A 96 -1.129 18.075 -32.273 1.00 0.00 C ATOM 1617 CG GLU A 96 -2.325 17.223 -31.830 1.00 0.00 C ATOM 1618 CD GLU A 96 -3.048 17.868 -30.632 1.00 0.00 C ATOM 1619 OE1 GLU A 96 -3.952 18.714 -30.843 1.00 0.00 O ATOM 1620 OE2 GLU A 96 -2.728 17.527 -29.466 1.00 0.00 O ATOM 0 H GLU A 96 0.699 18.962 -34.399 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.055 16.425 -33.123 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.461 18.227 -31.425 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.482 19.059 -32.581 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.021 17.107 -32.661 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.984 16.224 -31.559 1.00 0.00 H new ATOM 1627 N VAL A 97 -1.254 16.053 -35.227 1.00 0.00 N ATOM 1628 CA VAL A 97 -2.027 15.674 -36.423 1.00 0.00 C ATOM 1629 C VAL A 97 -2.649 14.288 -36.217 1.00 0.00 C ATOM 1630 O VAL A 97 -1.960 13.366 -35.774 1.00 0.00 O ATOM 1631 CB VAL A 97 -1.141 15.672 -37.691 1.00 0.00 C ATOM 1632 CG1 VAL A 97 -1.942 15.289 -38.942 1.00 0.00 C ATOM 1633 CG2 VAL A 97 -0.499 17.038 -37.967 1.00 0.00 C ATOM 0 H VAL A 97 -0.746 15.266 -34.822 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.815 16.413 -36.567 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.364 14.935 -37.489 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.285 15.299 -39.812 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.360 14.291 -38.815 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.750 16.005 -39.090 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.111 16.978 -38.868 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.280 17.785 -38.107 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.128 17.323 -37.122 1.00 0.00 H new ATOM 1643 N SER A 98 -3.939 14.130 -36.541 1.00 0.00 N ATOM 1644 CA SER A 98 -4.643 12.834 -36.491 1.00 0.00 C ATOM 1645 C SER A 98 -5.955 12.846 -37.292 1.00 0.00 C ATOM 1646 O SER A 98 -6.029 12.255 -38.371 1.00 0.00 O ATOM 1647 CB SER A 98 -4.900 12.426 -35.030 1.00 0.00 C ATOM 1648 OG SER A 98 -5.555 11.169 -34.965 1.00 0.00 O ATOM 0 H SER A 98 -4.531 14.902 -36.848 1.00 0.00 H new ATOM 0 HA SER A 98 -3.995 12.094 -36.961 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.954 12.377 -34.490 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.509 13.184 -34.538 1.00 0.00 H new ATOM 0 HG SER A 98 -5.707 10.928 -34.027 1.00 0.00 H new ATOM 1654 N SER A 99 -6.984 13.548 -36.798 1.00 0.00 N ATOM 1655 CA SER A 99 -8.333 13.601 -37.394 1.00 0.00 C ATOM 1656 C SER A 99 -8.489 14.665 -38.490 1.00 0.00 C ATOM 1657 O SER A 99 -9.385 14.560 -39.332 1.00 0.00 O ATOM 1658 CB SER A 99 -9.366 13.832 -36.285 1.00 0.00 C ATOM 1659 OG SER A 99 -9.057 15.012 -35.554 1.00 0.00 O ATOM 0 H SER A 99 -6.903 14.110 -35.951 1.00 0.00 H new ATOM 0 HA SER A 99 -8.498 12.642 -37.885 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.362 13.917 -36.720 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.384 12.975 -35.612 1.00 0.00 H new ATOM 0 HG SER A 99 -9.727 15.146 -34.851 1.00 0.00 H new ATOM 1665 N MET A 100 -7.607 15.669 -38.504 1.00 0.00 N ATOM 1666 CA MET A 100 -7.529 16.736 -39.507 1.00 0.00 C ATOM 1667 C MET A 100 -6.119 16.757 -40.113 1.00 0.00 C ATOM 1668 O MET A 100 -5.143 17.043 -39.419 1.00 0.00 O ATOM 1669 CB MET A 100 -7.888 18.088 -38.866 1.00 0.00 C ATOM 1670 CG MET A 100 -9.345 18.143 -38.386 1.00 0.00 C ATOM 1671 SD MET A 100 -9.817 19.661 -37.504 1.00 0.00 S ATOM 1672 CE MET A 100 -9.726 20.886 -38.841 1.00 0.00 C ATOM 0 H MET A 100 -6.893 15.765 -37.781 1.00 0.00 H new ATOM 0 HA MET A 100 -8.246 16.549 -40.307 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.224 18.274 -38.022 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.717 18.886 -39.589 1.00 0.00 H new ATOM 0 HG2 MET A 100 -9.999 18.026 -39.250 1.00 0.00 H new ATOM 0 HG3 MET A 100 -9.527 17.291 -37.731 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.058 21.855 -38.469 1.00 0.00 H new ATOM 0 HE2 MET A 100 -8.697 20.965 -39.193 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.368 20.574 -39.665 1.00 0.00 H new ATOM 1682 N GLU A 101 -6.008 16.433 -41.403 1.00 0.00 N ATOM 1683 CA GLU A 101 -4.741 16.344 -42.147 1.00 0.00 C ATOM 1684 C GLU A 101 -4.942 16.871 -43.586 1.00 0.00 C ATOM 1685 O GLU A 101 -5.057 16.105 -44.547 1.00 0.00 O ATOM 1686 CB GLU A 101 -4.219 14.892 -42.095 1.00 0.00 C ATOM 1687 CG GLU A 101 -2.796 14.754 -42.658 1.00 0.00 C ATOM 1688 CD GLU A 101 -2.328 13.285 -42.642 1.00 0.00 C ATOM 1689 OE1 GLU A 101 -2.640 12.532 -43.598 1.00 0.00 O ATOM 1690 OE2 GLU A 101 -1.630 12.870 -41.684 1.00 0.00 O ATOM 0 H GLU A 101 -6.821 16.218 -41.981 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.978 16.974 -41.689 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.233 14.542 -41.063 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.893 14.247 -42.659 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.768 15.136 -43.678 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.109 15.363 -42.070 1.00 0.00 H new ATOM 1697 N ALA A 102 -5.053 18.196 -43.727 1.00 0.00 N ATOM 1698 CA ALA A 102 -5.267 18.887 -45.004 1.00 0.00 C ATOM 1699 C ALA A 102 -4.590 20.272 -45.036 1.00 0.00 C ATOM 1700 O ALA A 102 -4.503 20.953 -44.008 1.00 0.00 O ATOM 1701 CB ALA A 102 -6.778 19.004 -45.256 1.00 0.00 C ATOM 0 H ALA A 102 -4.995 18.835 -42.934 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.804 18.303 -45.799 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.950 19.516 -46.203 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.218 18.008 -45.297 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.239 19.571 -44.447 1.00 0.00 H new ATOM 1707 N LYS A 103 -4.135 20.695 -46.225 1.00 0.00 N ATOM 1708 CA LYS A 103 -3.504 22.004 -46.497 1.00 0.00 C ATOM 1709 C LYS A 103 -4.012 22.588 -47.825 1.00 0.00 C ATOM 1710 O LYS A 103 -4.206 21.844 -48.791 1.00 0.00 O ATOM 1711 CB LYS A 103 -1.968 21.881 -46.509 1.00 0.00 C ATOM 1712 CG LYS A 103 -1.399 21.383 -45.167 1.00 0.00 C ATOM 1713 CD LYS A 103 0.137 21.365 -45.141 1.00 0.00 C ATOM 1714 CE LYS A 103 0.793 22.753 -45.097 1.00 0.00 C ATOM 1715 NZ LYS A 103 0.586 23.434 -43.789 1.00 0.00 N ATOM 0 H LYS A 103 -4.197 20.113 -47.061 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.783 22.687 -45.695 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.669 21.196 -47.302 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.532 22.852 -46.746 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.764 22.023 -44.363 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.773 20.378 -44.970 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.466 20.795 -44.272 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.496 20.836 -46.024 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.862 22.654 -45.287 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.383 23.372 -45.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.046 24.367 -43.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.433 23.554 -43.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.000 22.858 -43.028 1.00 0.00 H new