USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 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 116 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 102 TYR OH : rot 130:sc= -1.65! USER MOD Set 2.2: A 104 SER OG : rot 180:sc= -0.296 USER MOD Set 2.3: A 110 HIS : no HE2:sc= -3.77 K(o=-5.7,f=-8.2!) USER MOD Set 3.1: A 49 GLN : amide:sc= -0.96 X(o=-0.96,f=-0.59) USER MOD Set 3.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 44 SER OG : rot 140:sc= 0.795 USER MOD Set 4.2: A 131 LYS NZ :NH3+ -152:sc= -0.567 (180deg=-1.09!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 26:sc= -1.8! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 163:sc= -10.9! (180deg=-12!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.16 USER MOD Single : A 56 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.13) USER MOD Single : A 57 CYS SG : rot 23:sc= -0.858! USER MOD Single : A 58 MET CE :methyl 178:sc= 0 (180deg=-0.00222) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -162:sc= -0.0857 USER MOD Single : A 64 SER OG : rot 180:sc= -0.833 USER MOD Single : A 68 CYS SG : rot -87:sc= 0.118 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0734) USER MOD Single : A 77 SER OG : rot 150:sc= 0 USER MOD Single : A 78 TYR OH : rot 165:sc= -0.0542 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.1) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.1) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 118 GLN : amide:sc= -2.29 K(o=-2.3,f=-6.6!) USER MOD Single : A 122 ASN : amide:sc= -1.99! C(o=-2!,f=-10!) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -96:sc= 0.853 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -6.703 17.045 8.773 1.00 0.00 N ATOM 14 CA LEU A 2 -5.634 16.085 8.989 1.00 0.00 C ATOM 15 C LEU A 2 -5.792 15.455 10.375 1.00 0.00 C ATOM 16 O LEU A 2 -5.945 16.164 11.368 1.00 0.00 O ATOM 17 CB LEU A 2 -4.271 16.742 8.764 1.00 0.00 C ATOM 18 CG LEU A 2 -3.753 16.736 7.324 1.00 0.00 C ATOM 19 CD1 LEU A 2 -3.453 15.311 6.856 1.00 0.00 C ATOM 20 CD2 LEU A 2 -4.726 17.454 6.387 1.00 0.00 C ATOM 0 HA LEU A 2 -5.696 15.276 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.328 17.776 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.538 16.238 9.395 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.814 17.289 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.086 15.335 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.695 14.868 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.363 14.714 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.333 17.435 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.693 16.951 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.846 18.488 6.710 1.00 0.00 H new ATOM 32 N PRO A 3 -5.748 14.097 10.397 1.00 0.00 N ATOM 33 CA PRO A 3 -5.884 13.364 11.644 1.00 0.00 C ATOM 34 C PRO A 3 -4.603 13.453 12.475 1.00 0.00 C ATOM 35 O PRO A 3 -3.555 13.849 11.967 1.00 0.00 O ATOM 36 CB PRO A 3 -6.225 11.941 11.229 1.00 0.00 C ATOM 37 CG PRO A 3 -5.812 11.822 9.771 1.00 0.00 C ATOM 38 CD PRO A 3 -5.568 13.225 9.240 1.00 0.00 C ATOM 0 HA PRO A 3 -6.661 13.774 12.290 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.694 11.216 11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.290 11.743 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.911 11.216 9.678 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.591 11.325 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.565 13.322 8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.269 13.474 8.444 1.00 0.00 H new ATOM 46 N PRO A 4 -4.732 13.069 13.773 1.00 0.00 N ATOM 47 CA PRO A 4 -3.597 13.102 14.680 1.00 0.00 C ATOM 48 C PRO A 4 -2.635 11.946 14.397 1.00 0.00 C ATOM 49 O PRO A 4 -3.064 10.810 14.200 1.00 0.00 O ATOM 50 CB PRO A 4 -4.203 13.042 16.072 1.00 0.00 C ATOM 51 CG PRO A 4 -5.616 12.512 15.889 1.00 0.00 C ATOM 52 CD PRO A 4 -5.957 12.594 14.410 1.00 0.00 C ATOM 0 HA PRO A 4 -2.991 14.000 14.562 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.622 12.389 16.723 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.213 14.028 16.537 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.686 11.483 16.240 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -6.323 13.098 16.477 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.256 11.622 14.018 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.787 13.278 14.232 1.00 0.00 H new ATOM 60 N PRO A 5 -1.317 12.283 14.386 1.00 0.00 N ATOM 61 CA PRO A 5 -0.292 11.287 14.131 1.00 0.00 C ATOM 62 C PRO A 5 -0.087 10.387 15.351 1.00 0.00 C ATOM 63 O PRO A 5 0.028 10.874 16.474 1.00 0.00 O ATOM 64 CB PRO A 5 0.949 12.084 13.766 1.00 0.00 C ATOM 65 CG PRO A 5 0.705 13.494 14.279 1.00 0.00 C ATOM 66 CD PRO A 5 -0.773 13.618 14.616 1.00 0.00 C ATOM 0 HA PRO A 5 -0.561 10.603 13.326 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.839 11.651 14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.111 12.083 12.688 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.315 13.691 15.160 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.988 14.229 13.525 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.919 13.933 15.649 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.263 14.360 13.985 1.00 0.00 H new ATOM 74 N GLU A 6 -0.045 9.089 15.088 1.00 0.00 N ATOM 75 CA GLU A 6 0.144 8.116 16.151 1.00 0.00 C ATOM 76 C GLU A 6 1.560 7.538 16.095 1.00 0.00 C ATOM 77 O GLU A 6 2.144 7.419 15.019 1.00 0.00 O ATOM 78 CB GLU A 6 -0.905 7.004 16.070 1.00 0.00 C ATOM 79 CG GLU A 6 -2.079 7.290 17.008 1.00 0.00 C ATOM 80 CD GLU A 6 -2.988 8.378 16.433 1.00 0.00 C ATOM 81 OE1 GLU A 6 -2.553 9.550 16.452 1.00 0.00 O ATOM 82 OE2 GLU A 6 -4.098 8.014 15.988 1.00 0.00 O ATOM 0 H GLU A 6 -0.139 8.688 14.155 1.00 0.00 H new ATOM 0 HA GLU A 6 0.016 8.622 17.108 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.267 6.914 15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.449 6.049 16.332 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.653 6.377 17.166 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.703 7.603 17.982 1.00 0.00 H new ATOM 89 N PRO A 7 2.085 7.186 17.299 1.00 0.00 N ATOM 90 CA PRO A 7 3.421 6.624 17.397 1.00 0.00 C ATOM 91 C PRO A 7 3.440 5.168 16.924 1.00 0.00 C ATOM 92 O PRO A 7 2.749 4.320 17.485 1.00 0.00 O ATOM 93 CB PRO A 7 3.806 6.777 18.859 1.00 0.00 C ATOM 94 CG PRO A 7 2.503 6.991 19.613 1.00 0.00 C ATOM 95 CD PRO A 7 1.423 7.312 18.594 1.00 0.00 C ATOM 0 HA PRO A 7 4.139 7.133 16.754 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.326 5.890 19.221 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.481 7.621 18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.239 6.099 20.181 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.606 7.806 20.330 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.583 6.623 18.678 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.027 8.317 18.740 1.00 0.00 H new ATOM 103 N TYR A 8 4.239 4.924 15.896 1.00 0.00 N ATOM 104 CA TYR A 8 4.357 3.587 15.340 1.00 0.00 C ATOM 105 C TYR A 8 5.719 2.974 15.672 1.00 0.00 C ATOM 106 O TYR A 8 6.750 3.631 15.533 1.00 0.00 O ATOM 107 CB TYR A 8 4.240 3.748 13.824 1.00 0.00 C ATOM 108 CG TYR A 8 4.569 2.479 13.035 1.00 0.00 C ATOM 109 CD1 TYR A 8 3.641 1.461 12.949 1.00 0.00 C ATOM 110 CD2 TYR A 8 5.793 2.352 12.410 1.00 0.00 C ATOM 111 CE1 TYR A 8 3.951 0.266 12.207 1.00 0.00 C ATOM 112 CE2 TYR A 8 6.102 1.157 11.669 1.00 0.00 C ATOM 113 CZ TYR A 8 5.166 0.173 11.603 1.00 0.00 C ATOM 114 OH TYR A 8 5.458 -0.955 10.904 1.00 0.00 O ATOM 0 H TYR A 8 4.811 5.630 15.433 1.00 0.00 H new ATOM 0 HA TYR A 8 3.589 2.932 15.751 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.225 4.062 13.580 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.907 4.547 13.501 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.683 1.560 13.438 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.519 3.149 12.477 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.234 -0.538 12.132 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.056 1.045 11.176 1.00 0.00 H new ATOM 0 HH TYR A 8 6.359 -0.882 10.526 1.00 0.00 H new ATOM 207 N SER A 14 7.618 -9.195 6.648 1.00 0.00 N ATOM 208 CA SER A 14 8.078 -10.092 5.601 1.00 0.00 C ATOM 209 C SER A 14 7.076 -10.105 4.445 1.00 0.00 C ATOM 210 O SER A 14 5.882 -9.895 4.652 1.00 0.00 O ATOM 211 CB SER A 14 8.283 -11.509 6.142 1.00 0.00 C ATOM 212 OG SER A 14 9.364 -11.575 7.067 1.00 0.00 O ATOM 0 HA SER A 14 9.039 -9.728 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.368 -11.847 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.473 -12.190 5.312 1.00 0.00 H new ATOM 0 HG SER A 14 9.462 -12.495 7.391 1.00 0.00 H new ATOM 218 N TYR A 15 7.599 -10.355 3.253 1.00 0.00 N ATOM 219 CA TYR A 15 6.764 -10.398 2.064 1.00 0.00 C ATOM 220 C TYR A 15 6.661 -11.823 1.520 1.00 0.00 C ATOM 221 O TYR A 15 7.607 -12.602 1.622 1.00 0.00 O ATOM 222 CB TYR A 15 7.464 -9.517 1.027 1.00 0.00 C ATOM 223 CG TYR A 15 7.819 -8.119 1.536 1.00 0.00 C ATOM 224 CD1 TYR A 15 6.828 -7.175 1.711 1.00 0.00 C ATOM 225 CD2 TYR A 15 9.132 -7.800 1.818 1.00 0.00 C ATOM 226 CE1 TYR A 15 7.163 -5.859 2.190 1.00 0.00 C ATOM 227 CE2 TYR A 15 9.468 -6.484 2.296 1.00 0.00 C ATOM 228 CZ TYR A 15 8.465 -5.579 2.459 1.00 0.00 C ATOM 229 OH TYR A 15 8.781 -4.335 2.911 1.00 0.00 O ATOM 0 H TYR A 15 8.590 -10.530 3.085 1.00 0.00 H new ATOM 0 HA TYR A 15 5.754 -10.056 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.376 -10.015 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.820 -9.421 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.801 -7.423 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.908 -8.538 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.397 -5.111 2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.491 -6.222 2.520 1.00 0.00 H new ATOM 0 HH TYR A 15 9.748 -4.278 3.062 1.00 0.00 H new ATOM 239 N PRO A 16 5.471 -12.130 0.935 1.00 0.00 N ATOM 240 CA PRO A 16 5.231 -13.448 0.374 1.00 0.00 C ATOM 241 C PRO A 16 5.967 -13.620 -0.956 1.00 0.00 C ATOM 242 O PRO A 16 6.388 -14.724 -1.299 1.00 0.00 O ATOM 243 CB PRO A 16 3.721 -13.547 0.234 1.00 0.00 C ATOM 244 CG PRO A 16 3.203 -12.119 0.284 1.00 0.00 C ATOM 245 CD PRO A 16 4.327 -11.233 0.795 1.00 0.00 C ATOM 0 HA PRO A 16 5.613 -14.250 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.447 -14.029 -0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.293 -14.146 1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.881 -11.795 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.335 -12.051 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.542 -10.423 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.066 -10.772 1.748 1.00 0.00 H new ATOM 253 N SER A 17 6.100 -12.511 -1.670 1.00 0.00 N ATOM 254 CA SER A 17 6.778 -12.525 -2.954 1.00 0.00 C ATOM 255 C SER A 17 8.235 -12.955 -2.773 1.00 0.00 C ATOM 256 O SER A 17 8.761 -13.734 -3.567 1.00 0.00 O ATOM 257 CB SER A 17 6.710 -11.154 -3.628 1.00 0.00 C ATOM 258 OG SER A 17 7.422 -11.129 -4.862 1.00 0.00 O ATOM 0 H SER A 17 5.749 -11.597 -1.383 1.00 0.00 H new ATOM 0 HA SER A 17 6.272 -13.243 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.668 -10.889 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.121 -10.400 -2.957 1.00 0.00 H new ATOM 0 HG SER A 17 7.353 -10.237 -5.261 1.00 0.00 H new ATOM 264 N LYS A 18 8.847 -12.431 -1.722 1.00 0.00 N ATOM 265 CA LYS A 18 10.233 -12.751 -1.425 1.00 0.00 C ATOM 266 C LYS A 18 10.305 -13.504 -0.095 1.00 0.00 C ATOM 267 O LYS A 18 10.995 -13.075 0.829 1.00 0.00 O ATOM 268 CB LYS A 18 11.095 -11.486 -1.462 1.00 0.00 C ATOM 269 CG LYS A 18 10.645 -10.485 -0.398 1.00 0.00 C ATOM 270 CD LYS A 18 11.789 -9.545 -0.012 1.00 0.00 C ATOM 271 CE LYS A 18 12.608 -10.124 1.145 1.00 0.00 C ATOM 272 NZ LYS A 18 12.604 -9.197 2.298 1.00 0.00 N ATOM 0 H LYS A 18 8.408 -11.786 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 18 10.643 -13.412 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.140 -11.749 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.031 -11.027 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.803 -9.904 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.295 -11.020 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.436 -9.381 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.386 -8.574 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.195 -11.087 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.632 -10.304 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.164 -9.605 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.019 -8.287 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.626 -9.046 2.619 1.00 0.00 H new ATOM 597 N CYS A 40 -0.482 -8.701 -13.674 1.00 0.00 N ATOM 598 CA CYS A 40 -1.109 -8.257 -12.441 1.00 0.00 C ATOM 599 C CYS A 40 -2.388 -7.498 -12.798 1.00 0.00 C ATOM 600 O CYS A 40 -2.419 -6.753 -13.776 1.00 0.00 O ATOM 601 CB CYS A 40 -0.157 -7.407 -11.598 1.00 0.00 C ATOM 602 SG CYS A 40 0.445 -5.982 -12.576 1.00 0.00 S ATOM 0 HA CYS A 40 -1.361 -9.121 -11.826 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.668 -7.054 -10.703 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.686 -8.012 -11.266 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.427 -5.686 -13.494 1.00 0.00 H new ATOM 608 N VAL A 41 -3.413 -7.714 -11.988 1.00 0.00 N ATOM 609 CA VAL A 41 -4.692 -7.059 -12.205 1.00 0.00 C ATOM 610 C VAL A 41 -4.714 -5.729 -11.451 1.00 0.00 C ATOM 611 O VAL A 41 -4.028 -5.572 -10.443 1.00 0.00 O ATOM 612 CB VAL A 41 -5.834 -7.994 -11.803 1.00 0.00 C ATOM 613 CG1 VAL A 41 -5.879 -9.226 -12.711 1.00 0.00 C ATOM 614 CG2 VAL A 41 -5.718 -8.400 -10.334 1.00 0.00 C ATOM 0 H VAL A 41 -3.384 -8.334 -11.179 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.831 -6.835 -13.263 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.771 -7.452 -11.927 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.700 -9.874 -12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.032 -8.912 -13.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.938 -9.770 -12.633 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.542 -9.065 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.771 -8.915 -10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.758 -7.510 -9.706 1.00 0.00 H new ATOM 624 N THR A 42 -5.511 -4.804 -11.968 1.00 0.00 N ATOM 625 CA THR A 42 -5.632 -3.493 -11.355 1.00 0.00 C ATOM 626 C THR A 42 -7.007 -3.333 -10.705 1.00 0.00 C ATOM 627 O THR A 42 -8.020 -3.248 -11.399 1.00 0.00 O ATOM 628 CB THR A 42 -5.340 -2.441 -12.428 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.979 -2.673 -12.781 1.00 0.00 O ATOM 630 CG2 THR A 42 -5.342 -1.018 -11.867 1.00 0.00 C ATOM 0 H THR A 42 -6.079 -4.938 -12.805 1.00 0.00 H new ATOM 0 HA THR A 42 -4.910 -3.365 -10.549 1.00 0.00 H new ATOM 0 HB THR A 42 -6.081 -2.519 -13.224 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.707 -2.035 -13.473 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.130 -0.311 -12.669 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.319 -0.798 -11.438 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.578 -0.930 -11.094 1.00 0.00 H new ATOM 638 N MET A 43 -6.999 -3.296 -9.380 1.00 0.00 N ATOM 639 CA MET A 43 -8.234 -3.147 -8.628 1.00 0.00 C ATOM 640 C MET A 43 -8.938 -1.836 -8.984 1.00 0.00 C ATOM 641 O MET A 43 -10.053 -1.846 -9.502 1.00 0.00 O ATOM 642 CB MET A 43 -7.926 -3.173 -7.131 1.00 0.00 C ATOM 643 CG MET A 43 -8.749 -4.249 -6.419 1.00 0.00 C ATOM 644 SD MET A 43 -8.046 -4.596 -4.817 1.00 0.00 S ATOM 645 CE MET A 43 -6.591 -5.506 -5.307 1.00 0.00 C ATOM 0 H MET A 43 -6.157 -3.367 -8.808 1.00 0.00 H new ATOM 0 HA MET A 43 -8.896 -3.974 -8.885 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.864 -3.363 -6.978 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.142 -2.198 -6.695 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.781 -3.915 -6.308 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.771 -5.158 -7.020 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.887 -5.541 -4.476 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.874 -6.521 -5.586 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.123 -5.013 -6.159 1.00 0.00 H new ATOM 655 N SER A 44 -8.257 -0.737 -8.689 1.00 0.00 N ATOM 656 CA SER A 44 -8.802 0.580 -8.970 1.00 0.00 C ATOM 657 C SER A 44 -7.699 1.634 -8.875 1.00 0.00 C ATOM 658 O SER A 44 -6.566 1.322 -8.509 1.00 0.00 O ATOM 659 CB SER A 44 -9.945 0.918 -8.011 1.00 0.00 C ATOM 660 OG SER A 44 -10.725 2.016 -8.477 1.00 0.00 O ATOM 0 H SER A 44 -7.332 -0.733 -8.258 1.00 0.00 H new ATOM 0 HA SER A 44 -9.203 0.576 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.585 0.045 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.536 1.155 -7.029 1.00 0.00 H new ATOM 0 HG SER A 44 -11.674 1.840 -8.305 1.00 0.00 H new ATOM 666 N SER A 45 -8.067 2.862 -9.211 1.00 0.00 N ATOM 667 CA SER A 45 -7.122 3.965 -9.167 1.00 0.00 C ATOM 668 C SER A 45 -7.770 5.183 -8.508 1.00 0.00 C ATOM 669 O SER A 45 -8.878 5.575 -8.870 1.00 0.00 O ATOM 670 CB SER A 45 -6.628 4.321 -10.571 1.00 0.00 C ATOM 671 OG SER A 45 -6.290 5.702 -10.683 1.00 0.00 O ATOM 0 H SER A 45 -9.007 3.117 -9.515 1.00 0.00 H new ATOM 0 HA SER A 45 -6.261 3.655 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.756 3.713 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.400 4.076 -11.300 1.00 0.00 H new ATOM 0 HG SER A 45 -5.978 5.890 -11.593 1.00 0.00 H new ATOM 677 N ALA A 46 -7.051 5.750 -7.549 1.00 0.00 N ATOM 678 CA ALA A 46 -7.542 6.916 -6.835 1.00 0.00 C ATOM 679 C ALA A 46 -6.373 7.858 -6.541 1.00 0.00 C ATOM 680 O ALA A 46 -5.287 7.410 -6.175 1.00 0.00 O ATOM 681 CB ALA A 46 -8.264 6.469 -5.563 1.00 0.00 C ATOM 0 H ALA A 46 -6.132 5.423 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.262 7.463 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.632 7.344 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.103 5.826 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.572 5.918 -4.926 1.00 0.00 H new ATOM 687 N VAL A 47 -6.635 9.145 -6.712 1.00 0.00 N ATOM 688 CA VAL A 47 -5.618 10.155 -6.470 1.00 0.00 C ATOM 689 C VAL A 47 -5.476 10.379 -4.963 1.00 0.00 C ATOM 690 O VAL A 47 -6.377 10.923 -4.326 1.00 0.00 O ATOM 691 CB VAL A 47 -5.958 11.435 -7.235 1.00 0.00 C ATOM 692 CG1 VAL A 47 -5.032 12.581 -6.826 1.00 0.00 C ATOM 693 CG2 VAL A 47 -5.906 11.201 -8.746 1.00 0.00 C ATOM 0 H VAL A 47 -7.537 9.512 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.650 9.818 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.978 11.719 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.296 13.479 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.140 12.773 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.999 12.309 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.152 12.127 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.904 10.880 -9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.625 10.429 -9.020 1.00 0.00 H new ATOM 703 N VAL A 48 -4.340 9.947 -4.437 1.00 0.00 N ATOM 704 CA VAL A 48 -4.069 10.094 -3.017 1.00 0.00 C ATOM 705 C VAL A 48 -2.708 10.765 -2.828 1.00 0.00 C ATOM 706 O VAL A 48 -1.866 10.732 -3.724 1.00 0.00 O ATOM 707 CB VAL A 48 -4.167 8.734 -2.322 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.061 7.777 -3.113 1.00 0.00 C ATOM 709 CG2 VAL A 48 -2.778 8.131 -2.099 1.00 0.00 C ATOM 0 H VAL A 48 -3.596 9.495 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.815 10.737 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.625 8.889 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.114 6.818 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.062 8.200 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.645 7.631 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.876 7.165 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.281 7.997 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.187 8.801 -1.475 1.00 0.00 H new ATOM 719 N GLN A 49 -2.532 11.357 -1.656 1.00 0.00 N ATOM 720 CA GLN A 49 -1.287 12.035 -1.339 1.00 0.00 C ATOM 721 C GLN A 49 -0.556 11.302 -0.212 1.00 0.00 C ATOM 722 O GLN A 49 -1.123 11.073 0.855 1.00 0.00 O ATOM 723 CB GLN A 49 -1.537 13.498 -0.967 1.00 0.00 C ATOM 724 CG GLN A 49 -2.703 14.076 -1.773 1.00 0.00 C ATOM 725 CD GLN A 49 -3.100 15.458 -1.249 1.00 0.00 C ATOM 726 OE1 GLN A 49 -4.263 15.763 -1.047 1.00 0.00 O ATOM 727 NE2 GLN A 49 -2.070 16.273 -1.040 1.00 0.00 N ATOM 0 H GLN A 49 -3.231 11.381 -0.914 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.654 12.023 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.753 13.574 0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.636 14.083 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.423 14.148 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.558 13.402 -1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.120 15.954 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.230 17.217 -0.690 1.00 0.00 H new ATOM 736 N LEU A 50 0.692 10.953 -0.489 1.00 0.00 N ATOM 737 CA LEU A 50 1.507 10.250 0.488 1.00 0.00 C ATOM 738 C LEU A 50 2.054 11.253 1.506 1.00 0.00 C ATOM 739 O LEU A 50 2.751 12.198 1.139 1.00 0.00 O ATOM 740 CB LEU A 50 2.592 9.429 -0.211 1.00 0.00 C ATOM 741 CG LEU A 50 3.131 8.228 0.569 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.806 8.675 1.867 1.00 0.00 C ATOM 743 CD2 LEU A 50 2.029 7.198 0.821 1.00 0.00 C ATOM 0 H LEU A 50 1.159 11.144 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 50 0.903 9.531 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.194 9.071 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.427 10.090 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 50 3.893 7.741 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.180 7.802 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.637 9.341 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.083 9.200 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.439 6.355 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.227 7.657 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.635 6.846 -0.132 1.00 0.00 H new ATOM 755 N TYR A 51 1.718 11.012 2.764 1.00 0.00 N ATOM 756 CA TYR A 51 2.167 11.882 3.838 1.00 0.00 C ATOM 757 C TYR A 51 2.855 11.079 4.944 1.00 0.00 C ATOM 758 O TYR A 51 2.578 9.894 5.119 1.00 0.00 O ATOM 759 CB TYR A 51 0.907 12.535 4.408 1.00 0.00 C ATOM 760 CG TYR A 51 0.490 13.819 3.689 1.00 0.00 C ATOM 761 CD1 TYR A 51 0.230 13.798 2.333 1.00 0.00 C ATOM 762 CD2 TYR A 51 0.375 15.000 4.394 1.00 0.00 C ATOM 763 CE1 TYR A 51 -0.161 15.007 1.655 1.00 0.00 C ATOM 764 CE2 TYR A 51 -0.016 16.209 3.717 1.00 0.00 C ATOM 765 CZ TYR A 51 -0.265 16.153 2.381 1.00 0.00 C ATOM 766 OH TYR A 51 -0.635 17.294 1.742 1.00 0.00 O ATOM 0 H TYR A 51 1.140 10.227 3.064 1.00 0.00 H new ATOM 0 HA TYR A 51 2.884 12.613 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.086 11.820 4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.071 12.758 5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.320 12.874 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.579 15.017 5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.367 15.004 0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.109 17.139 4.258 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.669 18.033 2.385 1.00 0.00 H new ATOM 776 N ALA A 52 3.740 11.757 5.661 1.00 0.00 N ATOM 777 CA ALA A 52 4.470 11.121 6.744 1.00 0.00 C ATOM 778 C ALA A 52 4.299 11.946 8.021 1.00 0.00 C ATOM 779 O ALA A 52 4.492 13.160 8.011 1.00 0.00 O ATOM 780 CB ALA A 52 5.939 10.962 6.346 1.00 0.00 C ATOM 0 H ALA A 52 3.968 12.740 5.513 1.00 0.00 H new ATOM 0 HA ALA A 52 4.075 10.124 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.487 10.485 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.009 10.345 5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.370 11.943 6.145 1.00 0.00 H new ATOM 786 N ALA A 53 3.938 11.253 9.092 1.00 0.00 N ATOM 787 CA ALA A 53 3.739 11.905 10.374 1.00 0.00 C ATOM 788 C ALA A 53 5.072 12.474 10.865 1.00 0.00 C ATOM 789 O ALA A 53 5.807 11.805 11.588 1.00 0.00 O ATOM 790 CB ALA A 53 3.130 10.911 11.364 1.00 0.00 C ATOM 0 H ALA A 53 3.778 10.246 9.097 1.00 0.00 H new ATOM 0 HA ALA A 53 3.041 12.737 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.981 11.401 12.326 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.171 10.559 10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.804 10.063 11.489 1.00 0.00 H new ATOM 796 N ASP A 54 5.342 13.703 10.450 1.00 0.00 N ATOM 797 CA ASP A 54 6.573 14.370 10.838 1.00 0.00 C ATOM 798 C ASP A 54 6.514 14.717 12.327 1.00 0.00 C ATOM 799 O ASP A 54 5.451 14.645 12.942 1.00 0.00 O ATOM 800 CB ASP A 54 6.766 15.672 10.056 1.00 0.00 C ATOM 801 CG ASP A 54 8.207 15.970 9.642 1.00 0.00 C ATOM 802 OD1 ASP A 54 8.713 15.229 8.772 1.00 0.00 O ATOM 803 OD2 ASP A 54 8.772 16.933 10.204 1.00 0.00 O ATOM 0 H ASP A 54 4.729 14.254 9.849 1.00 0.00 H new ATOM 0 HA ASP A 54 7.402 13.695 10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.147 15.635 9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.400 16.500 10.663 1.00 0.00 H new ATOM 808 N ARG A 55 7.668 15.085 12.863 1.00 0.00 N ATOM 809 CA ARG A 55 7.760 15.444 14.269 1.00 0.00 C ATOM 810 C ARG A 55 6.708 16.499 14.617 1.00 0.00 C ATOM 811 O ARG A 55 5.963 16.949 13.748 1.00 0.00 O ATOM 812 CB ARG A 55 9.149 15.985 14.608 1.00 0.00 C ATOM 813 CG ARG A 55 10.104 14.850 14.984 1.00 0.00 C ATOM 814 CD ARG A 55 11.546 15.354 15.076 1.00 0.00 C ATOM 815 NE ARG A 55 12.069 15.147 16.444 1.00 0.00 N ATOM 816 CZ ARG A 55 13.371 15.055 16.745 1.00 0.00 C ATOM 817 NH1 ARG A 55 14.291 15.152 15.776 1.00 0.00 N ATOM 818 NH2 ARG A 55 13.754 14.868 18.016 1.00 0.00 N ATOM 0 H ARG A 55 8.548 15.143 12.350 1.00 0.00 H new ATOM 0 HA ARG A 55 7.581 14.542 14.855 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.548 16.533 13.754 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.076 16.692 15.434 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.804 14.419 15.939 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.040 14.055 14.241 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.171 14.826 14.355 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.587 16.412 14.819 1.00 0.00 H new ATOM 0 HE ARG A 55 11.396 15.069 17.206 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.000 15.296 14.809 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.282 15.082 16.005 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.054 14.796 18.754 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.746 14.798 18.245 1.00 0.00 H new ATOM 832 N ASN A 56 6.683 16.865 15.890 1.00 0.00 N ATOM 833 CA ASN A 56 5.735 17.858 16.365 1.00 0.00 C ATOM 834 C ASN A 56 4.352 17.556 15.785 1.00 0.00 C ATOM 835 O ASN A 56 3.598 18.472 15.458 1.00 0.00 O ATOM 836 CB ASN A 56 6.139 19.264 15.914 1.00 0.00 C ATOM 837 CG ASN A 56 7.094 19.909 16.920 1.00 0.00 C ATOM 838 OD1 ASN A 56 6.812 20.017 18.101 1.00 0.00 O ATOM 839 ND2 ASN A 56 8.238 20.330 16.387 1.00 0.00 N ATOM 0 H ASN A 56 7.304 16.491 16.607 1.00 0.00 H new ATOM 0 HA ASN A 56 5.721 17.817 17.454 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.616 19.213 14.935 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.249 19.884 15.803 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.942 20.774 16.976 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.411 20.209 15.389 1.00 0.00 H new ATOM 846 N CYS A 57 4.060 16.269 15.676 1.00 0.00 N ATOM 847 CA CYS A 57 2.780 15.834 15.142 1.00 0.00 C ATOM 848 C CYS A 57 2.404 16.760 13.984 1.00 0.00 C ATOM 849 O CYS A 57 1.578 17.657 14.145 1.00 0.00 O ATOM 850 CB CYS A 57 1.697 15.801 16.222 1.00 0.00 C ATOM 851 SG CYS A 57 1.689 17.382 17.146 1.00 0.00 S ATOM 0 H CYS A 57 4.688 15.513 15.948 1.00 0.00 H new ATOM 0 HA CYS A 57 2.865 14.811 14.776 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.722 15.631 15.766 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.878 14.971 16.905 1.00 0.00 H new ATOM 0 HG CYS A 57 2.218 18.316 16.412 1.00 0.00 H new ATOM 857 N MET A 58 3.027 16.511 12.842 1.00 0.00 N ATOM 858 CA MET A 58 2.769 17.310 11.657 1.00 0.00 C ATOM 859 C MET A 58 3.133 16.542 10.385 1.00 0.00 C ATOM 860 O MET A 58 4.296 16.509 9.988 1.00 0.00 O ATOM 861 CB MET A 58 3.585 18.602 11.724 1.00 0.00 C ATOM 862 CG MET A 58 2.774 19.731 12.363 1.00 0.00 C ATOM 863 SD MET A 58 3.097 21.269 11.516 1.00 0.00 S ATOM 864 CE MET A 58 2.058 21.058 10.080 1.00 0.00 C ATOM 0 H MET A 58 3.711 15.766 12.712 1.00 0.00 H new ATOM 0 HA MET A 58 1.705 17.543 11.625 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.495 18.432 12.300 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.893 18.894 10.720 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.710 19.497 12.317 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.034 19.825 13.417 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.114 21.950 9.456 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.398 20.194 9.509 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.027 20.900 10.397 1.00 0.00 H new ATOM 874 N TRP A 59 2.117 15.941 9.783 1.00 0.00 N ATOM 875 CA TRP A 59 2.315 15.175 8.565 1.00 0.00 C ATOM 876 C TRP A 59 3.263 15.964 7.659 1.00 0.00 C ATOM 877 O TRP A 59 3.384 17.181 7.792 1.00 0.00 O ATOM 878 CB TRP A 59 0.978 14.854 7.895 1.00 0.00 C ATOM 879 CG TRP A 59 -0.094 14.344 8.859 1.00 0.00 C ATOM 880 CD1 TRP A 59 -1.049 15.051 9.481 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.285 12.980 9.290 1.00 0.00 C ATOM 882 NE1 TRP A 59 -1.837 14.246 10.277 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.358 12.946 10.158 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.426 11.813 8.958 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -1.815 11.770 10.765 1.00 0.00 C ATOM 886 CZ3 TRP A 59 -0.045 10.647 9.574 1.00 0.00 C ATOM 887 CH2 TRP A 59 -1.123 10.596 10.449 1.00 0.00 C ATOM 0 H TRP A 59 1.154 15.969 10.117 1.00 0.00 H new ATOM 0 HA TRP A 59 2.768 14.209 8.787 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.608 15.751 7.398 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.142 14.105 7.121 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.184 16.117 9.372 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.626 14.549 10.848 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.268 11.816 8.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.657 11.769 11.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.466 9.722 9.353 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.425 9.654 10.883 1.00 0.00 H new ATOM 898 N SER A 60 3.911 15.239 6.759 1.00 0.00 N ATOM 899 CA SER A 60 4.843 15.856 5.832 1.00 0.00 C ATOM 900 C SER A 60 4.679 15.244 4.439 1.00 0.00 C ATOM 901 O SER A 60 5.136 14.130 4.189 1.00 0.00 O ATOM 902 CB SER A 60 6.287 15.696 6.314 1.00 0.00 C ATOM 903 OG SER A 60 7.227 16.150 5.345 1.00 0.00 O ATOM 0 H SER A 60 3.809 14.230 6.652 1.00 0.00 H new ATOM 0 HA SER A 60 4.620 16.922 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.424 16.254 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.479 14.647 6.542 1.00 0.00 H new ATOM 0 HG SER A 60 8.136 16.032 5.691 1.00 0.00 H new ATOM 909 N LYS A 61 4.024 16.000 3.569 1.00 0.00 N ATOM 910 CA LYS A 61 3.794 15.546 2.208 1.00 0.00 C ATOM 911 C LYS A 61 5.135 15.207 1.554 1.00 0.00 C ATOM 912 O LYS A 61 6.090 15.977 1.651 1.00 0.00 O ATOM 913 CB LYS A 61 2.975 16.578 1.431 1.00 0.00 C ATOM 914 CG LYS A 61 2.768 16.135 -0.019 1.00 0.00 C ATOM 915 CD LYS A 61 3.716 16.879 -0.961 1.00 0.00 C ATOM 916 CE LYS A 61 3.070 18.163 -1.488 1.00 0.00 C ATOM 917 NZ LYS A 61 3.524 18.442 -2.868 1.00 0.00 N ATOM 0 H LYS A 61 3.646 16.923 3.780 1.00 0.00 H new ATOM 0 HA LYS A 61 3.199 14.633 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.008 16.718 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.484 17.542 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.936 15.061 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.736 16.320 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.640 17.122 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.985 16.233 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.985 18.066 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.327 19.000 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.077 19.316 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.558 18.556 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.257 17.651 -3.488 1.00 0.00 H new ATOM 931 N LYS A 62 5.164 14.053 0.903 1.00 0.00 N ATOM 932 CA LYS A 62 6.373 13.602 0.233 1.00 0.00 C ATOM 933 C LYS A 62 6.140 13.597 -1.279 1.00 0.00 C ATOM 934 O LYS A 62 7.007 14.015 -2.045 1.00 0.00 O ATOM 935 CB LYS A 62 6.822 12.250 0.792 1.00 0.00 C ATOM 936 CG LYS A 62 8.116 12.392 1.596 1.00 0.00 C ATOM 937 CD LYS A 62 7.864 12.156 3.086 1.00 0.00 C ATOM 938 CE LYS A 62 8.977 11.305 3.702 1.00 0.00 C ATOM 939 NZ LYS A 62 9.659 12.049 4.785 1.00 0.00 N ATOM 0 H LYS A 62 4.370 13.417 0.825 1.00 0.00 H new ATOM 0 HA LYS A 62 7.196 14.290 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.038 11.837 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.973 11.546 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.855 11.679 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.533 13.388 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.804 13.113 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.904 11.659 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.559 10.379 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.698 11.027 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.411 11.457 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.075 12.921 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.971 12.292 5.526 1.00 0.00 H new ATOM 953 N CYS A 63 4.966 13.118 -1.664 1.00 0.00 N ATOM 954 CA CYS A 63 4.609 13.053 -3.070 1.00 0.00 C ATOM 955 C CYS A 63 3.087 12.936 -3.174 1.00 0.00 C ATOM 956 O CYS A 63 2.401 12.795 -2.164 1.00 0.00 O ATOM 957 CB CYS A 63 5.319 11.899 -3.780 1.00 0.00 C ATOM 958 SG CYS A 63 4.691 10.297 -3.156 1.00 0.00 S ATOM 0 H CYS A 63 4.250 12.771 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 63 4.938 13.962 -3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.157 11.968 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.394 11.966 -3.615 1.00 0.00 H new ATOM 0 HG CYS A 63 5.533 9.353 -3.458 1.00 0.00 H new ATOM 964 N SER A 64 2.603 13.000 -4.406 1.00 0.00 N ATOM 965 CA SER A 64 1.175 12.904 -4.655 1.00 0.00 C ATOM 966 C SER A 64 0.918 12.693 -6.149 1.00 0.00 C ATOM 967 O SER A 64 1.730 13.087 -6.985 1.00 0.00 O ATOM 968 CB SER A 64 0.444 14.154 -4.163 1.00 0.00 C ATOM 969 OG SER A 64 1.260 14.946 -3.304 1.00 0.00 O ATOM 0 H SER A 64 3.175 13.117 -5.242 1.00 0.00 H new ATOM 0 HA SER A 64 0.788 12.049 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.132 14.752 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.462 13.859 -3.633 1.00 0.00 H new ATOM 0 HG SER A 64 0.758 15.735 -3.012 1.00 0.00 H new ATOM 975 N GLY A 65 -0.216 12.072 -6.440 1.00 0.00 N ATOM 976 CA GLY A 65 -0.590 11.805 -7.819 1.00 0.00 C ATOM 977 C GLY A 65 -1.689 10.743 -7.892 1.00 0.00 C ATOM 978 O GLY A 65 -2.522 10.642 -6.992 1.00 0.00 O ATOM 0 H GLY A 65 -0.888 11.746 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.936 12.725 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.283 11.469 -8.378 1.00 0.00 H new ATOM 982 N VAL A 66 -1.656 9.976 -8.972 1.00 0.00 N ATOM 983 CA VAL A 66 -2.639 8.925 -9.174 1.00 0.00 C ATOM 984 C VAL A 66 -2.099 7.612 -8.606 1.00 0.00 C ATOM 985 O VAL A 66 -1.057 7.124 -9.040 1.00 0.00 O ATOM 986 CB VAL A 66 -3.004 8.829 -10.657 1.00 0.00 C ATOM 987 CG1 VAL A 66 -4.376 8.176 -10.843 1.00 0.00 C ATOM 988 CG2 VAL A 66 -2.957 10.205 -11.324 1.00 0.00 C ATOM 0 H VAL A 66 -0.964 10.061 -9.716 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.561 9.156 -8.640 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.262 8.196 -11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.611 8.120 -11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.361 7.171 -10.421 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.134 8.771 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.220 10.108 -12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.665 10.872 -10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.951 10.617 -11.238 1.00 0.00 H new ATOM 998 N ALA A 67 -2.833 7.075 -7.641 1.00 0.00 N ATOM 999 CA ALA A 67 -2.441 5.828 -7.008 1.00 0.00 C ATOM 1000 C ALA A 67 -3.414 4.722 -7.424 1.00 0.00 C ATOM 1001 O ALA A 67 -4.618 4.953 -7.519 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.389 6.019 -5.491 1.00 0.00 C ATOM 0 H ALA A 67 -3.697 7.482 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.444 5.530 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.095 5.083 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.662 6.794 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.373 6.316 -5.128 1.00 0.00 H new ATOM 1008 N CYS A 68 -2.855 3.544 -7.661 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.658 2.403 -8.065 1.00 0.00 C ATOM 1010 C CYS A 68 -3.200 1.186 -7.259 1.00 0.00 C ATOM 1011 O CYS A 68 -2.011 1.029 -6.985 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.572 2.155 -9.572 1.00 0.00 C ATOM 1013 SG CYS A 68 -1.844 1.793 -10.050 1.00 0.00 S ATOM 0 H CYS A 68 -1.856 3.356 -7.581 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.709 2.602 -7.856 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.217 1.321 -9.849 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.932 3.030 -10.114 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.217 2.907 -10.286 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.168 0.353 -6.903 1.00 0.00 N ATOM 1020 CA LEU A 69 -3.878 -0.846 -6.135 1.00 0.00 C ATOM 1021 C LEU A 69 -3.866 -2.055 -7.072 1.00 0.00 C ATOM 1022 O LEU A 69 -4.890 -2.400 -7.659 1.00 0.00 O ATOM 1023 CB LEU A 69 -4.857 -0.983 -4.966 1.00 0.00 C ATOM 1024 CG LEU A 69 -4.409 -1.889 -3.818 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -4.833 -1.312 -2.467 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -4.917 -3.318 -4.017 1.00 0.00 C ATOM 0 H LEU A 69 -5.153 0.485 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.887 -0.781 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.052 0.011 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.803 -1.361 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.320 -1.932 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.502 -1.976 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.381 -0.329 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.919 -1.219 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.584 -3.941 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.006 -3.315 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.523 -3.718 -4.951 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.697 -2.667 -7.180 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.537 -3.831 -8.035 1.00 0.00 C ATOM 1040 C VAL A 70 -2.330 -5.073 -7.165 1.00 0.00 C ATOM 1041 O VAL A 70 -1.640 -5.014 -6.149 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.396 -3.600 -9.028 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -1.120 -4.860 -9.850 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -1.696 -2.406 -9.939 1.00 0.00 C ATOM 0 H VAL A 70 -1.850 -2.379 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.437 -3.995 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.497 -3.369 -8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.305 -4.668 -10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.842 -5.676 -9.183 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.016 -5.135 -10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.870 -2.263 -10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.613 -2.596 -10.498 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.820 -1.508 -9.333 1.00 0.00 H new ATOM 1054 N LYS A 71 -2.939 -6.167 -7.598 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.830 -7.421 -6.871 1.00 0.00 C ATOM 1056 C LYS A 71 -2.438 -8.536 -7.843 1.00 0.00 C ATOM 1057 O LYS A 71 -3.040 -8.675 -8.907 1.00 0.00 O ATOM 1058 CB LYS A 71 -4.118 -7.705 -6.095 1.00 0.00 C ATOM 1059 CG LYS A 71 -5.310 -7.843 -7.044 1.00 0.00 C ATOM 1060 CD LYS A 71 -6.397 -8.729 -6.433 1.00 0.00 C ATOM 1061 CE LYS A 71 -6.058 -10.211 -6.605 1.00 0.00 C ATOM 1062 NZ LYS A 71 -6.297 -10.947 -5.343 1.00 0.00 N ATOM 0 H LYS A 71 -3.509 -6.211 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.041 -7.359 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.003 -8.620 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.305 -6.899 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.720 -6.857 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.978 -8.269 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.506 -8.498 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.355 -8.514 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.665 -10.639 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.016 -10.319 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.906 -11.908 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.833 -10.448 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.320 -11.003 -5.162 1.00 0.00 H new ATOM 1076 N ASP A 72 -1.435 -9.301 -7.442 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.957 -10.400 -8.264 1.00 0.00 C ATOM 1078 C ASP A 72 -1.700 -11.680 -7.878 1.00 0.00 C ATOM 1079 O ASP A 72 -1.805 -12.011 -6.698 1.00 0.00 O ATOM 1080 CB ASP A 72 0.539 -10.639 -8.048 1.00 0.00 C ATOM 1081 CG ASP A 72 1.393 -9.372 -7.982 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.816 -8.315 -7.645 1.00 0.00 O ATOM 1083 OD2 ASP A 72 2.604 -9.487 -8.271 1.00 0.00 O ATOM 0 H ASP A 72 -0.939 -9.182 -6.558 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.134 -10.142 -9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.672 -11.198 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.911 -11.268 -8.856 1.00 0.00 H new ATOM 1157 N SER A 77 0.486 -11.734 -4.244 1.00 0.00 N ATOM 1158 CA SER A 77 0.987 -10.586 -3.507 1.00 0.00 C ATOM 1159 C SER A 77 0.429 -9.295 -4.109 1.00 0.00 C ATOM 1160 O SER A 77 0.209 -9.213 -5.316 1.00 0.00 O ATOM 1161 CB SER A 77 2.516 -10.555 -3.507 1.00 0.00 C ATOM 1162 OG SER A 77 3.045 -10.289 -4.803 1.00 0.00 O ATOM 0 HA SER A 77 0.654 -10.671 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.863 -9.792 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.898 -11.511 -3.149 1.00 0.00 H new ATOM 0 HG SER A 77 3.899 -9.816 -4.717 1.00 0.00 H new ATOM 1168 N TYR A 78 0.216 -8.318 -3.240 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.310 -7.035 -3.671 1.00 0.00 C ATOM 1170 C TYR A 78 0.783 -5.965 -3.674 1.00 0.00 C ATOM 1171 O TYR A 78 1.742 -6.051 -2.909 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.379 -6.651 -2.645 1.00 0.00 C ATOM 1173 CG TYR A 78 -2.342 -7.788 -2.295 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -2.771 -8.656 -3.278 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -2.780 -7.945 -0.996 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -3.678 -9.725 -2.949 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -3.686 -9.015 -0.666 1.00 0.00 C ATOM 1178 CZ TYR A 78 -4.090 -9.853 -1.659 1.00 0.00 C ATOM 1179 OH TYR A 78 -4.946 -10.863 -1.348 1.00 0.00 O ATOM 0 H TYR A 78 0.398 -8.390 -2.239 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.707 -7.105 -4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.888 -6.311 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.953 -5.808 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.427 -8.534 -4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.444 -7.266 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.023 -10.410 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.037 -9.149 0.347 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.969 -10.985 -0.376 1.00 0.00 H new ATOM 1189 N PHE A 79 0.603 -4.982 -4.543 1.00 0.00 N ATOM 1190 CA PHE A 79 1.563 -3.896 -4.655 1.00 0.00 C ATOM 1191 C PHE A 79 0.854 -2.542 -4.722 1.00 0.00 C ATOM 1192 O PHE A 79 -0.099 -2.373 -5.482 1.00 0.00 O ATOM 1193 CB PHE A 79 2.338 -4.118 -5.956 1.00 0.00 C ATOM 1194 CG PHE A 79 3.324 -5.285 -5.901 1.00 0.00 C ATOM 1195 CD1 PHE A 79 4.241 -5.355 -4.899 1.00 0.00 C ATOM 1196 CD2 PHE A 79 3.285 -6.254 -6.855 1.00 0.00 C ATOM 1197 CE1 PHE A 79 5.157 -6.439 -4.849 1.00 0.00 C ATOM 1198 CE2 PHE A 79 4.201 -7.338 -6.805 1.00 0.00 C ATOM 1199 CZ PHE A 79 5.118 -7.408 -5.802 1.00 0.00 C ATOM 0 H PHE A 79 -0.193 -4.914 -5.177 1.00 0.00 H new ATOM 0 HA PHE A 79 2.220 -3.889 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.628 -4.293 -6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.883 -3.207 -6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.273 -4.586 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.557 -6.199 -7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.885 -6.494 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.170 -8.107 -7.563 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.814 -8.233 -5.763 1.00 0.00 H new ATOM 1209 N LEU A 80 1.346 -1.613 -3.916 1.00 0.00 N ATOM 1210 CA LEU A 80 0.771 -0.278 -3.874 1.00 0.00 C ATOM 1211 C LEU A 80 1.833 0.742 -4.290 1.00 0.00 C ATOM 1212 O LEU A 80 2.795 0.975 -3.561 1.00 0.00 O ATOM 1213 CB LEU A 80 0.159 -0.002 -2.499 1.00 0.00 C ATOM 1214 CG LEU A 80 -1.352 0.243 -2.476 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -1.894 0.189 -1.047 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -1.704 1.559 -3.173 1.00 0.00 C ATOM 0 H LEU A 80 2.136 -1.757 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.050 -0.193 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.380 -0.848 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.655 0.869 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.837 -0.558 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.969 0.366 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.693 -0.793 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.407 0.955 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.783 1.709 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.208 2.385 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.372 1.521 -4.210 1.00 0.00 H new ATOM 1228 N ARG A 81 1.621 1.324 -5.462 1.00 0.00 N ATOM 1229 CA ARG A 81 2.547 2.314 -5.983 1.00 0.00 C ATOM 1230 C ARG A 81 1.791 3.571 -6.421 1.00 0.00 C ATOM 1231 O ARG A 81 0.637 3.489 -6.840 1.00 0.00 O ATOM 1232 CB ARG A 81 3.334 1.761 -7.172 1.00 0.00 C ATOM 1233 CG ARG A 81 2.407 1.463 -8.353 1.00 0.00 C ATOM 1234 CD ARG A 81 3.106 1.746 -9.683 1.00 0.00 C ATOM 1235 NE ARG A 81 4.256 0.829 -9.857 1.00 0.00 N ATOM 1236 CZ ARG A 81 4.180 -0.365 -10.460 1.00 0.00 C ATOM 1237 NH1 ARG A 81 3.010 -0.795 -10.952 1.00 0.00 N ATOM 1238 NH2 ARG A 81 5.274 -1.128 -10.572 1.00 0.00 N ATOM 0 H ARG A 81 0.822 1.128 -6.065 1.00 0.00 H new ATOM 0 HA ARG A 81 3.245 2.566 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.095 2.480 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.855 0.851 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.092 0.420 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.506 2.071 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.403 1.621 -10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.448 2.781 -9.710 1.00 0.00 H new ATOM 0 HE ARG A 81 5.163 1.125 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.177 -0.213 -10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.953 -1.704 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.165 -0.800 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.217 -2.037 -11.031 1.00 0.00 H new ATOM 1252 N ILE A 82 2.471 4.701 -6.310 1.00 0.00 N ATOM 1253 CA ILE A 82 1.877 5.972 -6.690 1.00 0.00 C ATOM 1254 C ILE A 82 2.683 6.584 -7.839 1.00 0.00 C ATOM 1255 O ILE A 82 3.910 6.486 -7.864 1.00 0.00 O ATOM 1256 CB ILE A 82 1.750 6.889 -5.472 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.600 6.442 -4.568 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.608 8.352 -5.900 1.00 0.00 C ATOM 1259 CD1 ILE A 82 0.937 6.679 -3.095 1.00 0.00 C ATOM 0 H ILE A 82 3.428 4.764 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 82 0.861 5.823 -7.056 1.00 0.00 H new ATOM 0 HB ILE A 82 2.667 6.812 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.306 6.988 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.394 5.384 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.519 8.983 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.486 8.651 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.717 8.466 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.103 6.353 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.830 6.113 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.119 7.741 -2.930 1.00 0.00 H new ATOM 1271 N PHE A 83 1.961 7.201 -8.762 1.00 0.00 N ATOM 1272 CA PHE A 83 2.593 7.828 -9.911 1.00 0.00 C ATOM 1273 C PHE A 83 2.330 9.336 -9.927 1.00 0.00 C ATOM 1274 O PHE A 83 1.289 9.792 -9.457 1.00 0.00 O ATOM 1275 CB PHE A 83 1.973 7.201 -11.161 1.00 0.00 C ATOM 1276 CG PHE A 83 0.715 6.377 -10.884 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.771 5.311 -10.041 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.461 6.709 -11.482 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -0.397 4.545 -9.784 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.629 5.944 -11.226 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.572 4.879 -10.381 1.00 0.00 C ATOM 0 H PHE A 83 0.944 7.280 -8.738 1.00 0.00 H new ATOM 0 HA PHE A 83 3.671 7.675 -9.871 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.728 7.993 -11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.715 6.563 -11.641 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.705 5.047 -9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.506 7.555 -12.152 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.352 3.698 -9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.562 6.207 -11.702 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.461 4.298 -10.184 1.00 0.00 H new ATOM 1291 N ASP A 84 3.291 10.066 -10.472 1.00 0.00 N ATOM 1292 CA ASP A 84 3.176 11.512 -10.555 1.00 0.00 C ATOM 1293 C ASP A 84 2.142 11.877 -11.622 1.00 0.00 C ATOM 1294 O ASP A 84 1.843 11.071 -12.501 1.00 0.00 O ATOM 1295 CB ASP A 84 4.510 12.148 -10.953 1.00 0.00 C ATOM 1296 CG ASP A 84 4.663 13.621 -10.569 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.716 14.385 -10.860 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.723 13.952 -9.993 1.00 0.00 O ATOM 0 H ASP A 84 4.153 9.684 -10.861 1.00 0.00 H new ATOM 0 HA ASP A 84 2.877 11.883 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.318 11.581 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.632 12.055 -12.032 1.00 0.00 H new ATOM 1303 N ILE A 85 1.625 13.090 -11.508 1.00 0.00 N ATOM 1304 CA ILE A 85 0.630 13.572 -12.452 1.00 0.00 C ATOM 1305 C ILE A 85 1.302 14.502 -13.464 1.00 0.00 C ATOM 1306 O ILE A 85 0.748 14.771 -14.529 1.00 0.00 O ATOM 1307 CB ILE A 85 -0.545 14.215 -11.711 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -0.349 14.131 -10.196 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -1.873 13.599 -12.153 1.00 0.00 C ATOM 1310 CD1 ILE A 85 0.446 15.331 -9.679 1.00 0.00 C ATOM 0 H ILE A 85 1.876 13.755 -10.776 1.00 0.00 H new ATOM 0 HA ILE A 85 0.205 12.741 -13.015 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.578 15.273 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.320 14.093 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.173 13.208 -9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.692 14.073 -11.612 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.008 13.754 -13.223 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.867 12.530 -11.939 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.571 15.247 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.425 15.352 -10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.091 16.251 -9.911 1.00 0.00 H new ATOM 1322 N LYS A 86 2.486 14.968 -13.096 1.00 0.00 N ATOM 1323 CA LYS A 86 3.239 15.862 -13.959 1.00 0.00 C ATOM 1324 C LYS A 86 4.476 15.134 -14.487 1.00 0.00 C ATOM 1325 O LYS A 86 4.995 15.473 -15.550 1.00 0.00 O ATOM 1326 CB LYS A 86 3.560 17.168 -13.228 1.00 0.00 C ATOM 1327 CG LYS A 86 2.832 18.350 -13.871 1.00 0.00 C ATOM 1328 CD LYS A 86 3.499 18.756 -15.187 1.00 0.00 C ATOM 1329 CE LYS A 86 2.511 19.480 -16.102 1.00 0.00 C ATOM 1330 NZ LYS A 86 3.055 20.793 -16.516 1.00 0.00 N ATOM 0 H LYS A 86 2.943 14.743 -12.212 1.00 0.00 H new ATOM 0 HA LYS A 86 2.642 16.146 -14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.269 17.084 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.635 17.345 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.791 18.084 -14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.829 19.197 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.352 19.403 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.885 17.870 -15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.307 18.870 -16.982 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.562 19.620 -15.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.372 21.272 -17.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.227 21.379 -15.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.949 20.652 -17.028 1.00 0.00 H new ATOM 1344 N ASP A 87 4.914 14.145 -13.720 1.00 0.00 N ATOM 1345 CA ASP A 87 6.080 13.365 -14.098 1.00 0.00 C ATOM 1346 C ASP A 87 5.629 11.993 -14.602 1.00 0.00 C ATOM 1347 O ASP A 87 6.414 11.259 -15.200 1.00 0.00 O ATOM 1348 CB ASP A 87 7.008 13.148 -12.901 1.00 0.00 C ATOM 1349 CG ASP A 87 8.488 13.425 -13.172 1.00 0.00 C ATOM 1350 OD1 ASP A 87 8.760 14.134 -14.165 1.00 0.00 O ATOM 1351 OD2 ASP A 87 9.313 12.922 -12.380 1.00 0.00 O ATOM 0 H ASP A 87 4.482 13.867 -12.839 1.00 0.00 H new ATOM 0 HA ASP A 87 6.615 13.912 -14.875 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.678 13.789 -12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.903 12.118 -12.561 1.00 0.00 H new ATOM 1356 N GLY A 88 4.366 11.688 -14.341 1.00 0.00 N ATOM 1357 CA GLY A 88 3.801 10.417 -14.760 1.00 0.00 C ATOM 1358 C GLY A 88 4.747 9.260 -14.429 1.00 0.00 C ATOM 1359 O GLY A 88 4.827 8.285 -15.175 1.00 0.00 O ATOM 0 H GLY A 88 3.718 12.300 -13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.842 10.260 -14.265 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.607 10.437 -15.832 1.00 0.00 H new ATOM 1363 N LYS A 89 5.442 9.407 -13.310 1.00 0.00 N ATOM 1364 CA LYS A 89 6.379 8.387 -12.871 1.00 0.00 C ATOM 1365 C LYS A 89 6.045 7.979 -11.435 1.00 0.00 C ATOM 1366 O LYS A 89 5.337 8.696 -10.730 1.00 0.00 O ATOM 1367 CB LYS A 89 7.819 8.869 -13.054 1.00 0.00 C ATOM 1368 CG LYS A 89 8.182 8.962 -14.538 1.00 0.00 C ATOM 1369 CD LYS A 89 8.710 7.624 -15.058 1.00 0.00 C ATOM 1370 CE LYS A 89 8.933 7.673 -16.570 1.00 0.00 C ATOM 1371 NZ LYS A 89 10.360 7.917 -16.876 1.00 0.00 N ATOM 0 H LYS A 89 5.375 10.217 -12.694 1.00 0.00 H new ATOM 0 HA LYS A 89 6.286 7.493 -13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.942 9.845 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.502 8.184 -12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.305 9.259 -15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.936 9.736 -14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.646 7.379 -14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.002 6.831 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.614 6.734 -17.021 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.321 8.461 -17.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.494 7.947 -17.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.654 8.825 -16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.937 7.151 -16.474 1.00 0.00 H new ATOM 1385 N LEU A 90 6.569 6.827 -11.045 1.00 0.00 N ATOM 1386 CA LEU A 90 6.336 6.314 -9.706 1.00 0.00 C ATOM 1387 C LEU A 90 6.930 7.283 -8.682 1.00 0.00 C ATOM 1388 O LEU A 90 8.081 7.699 -8.811 1.00 0.00 O ATOM 1389 CB LEU A 90 6.868 4.884 -9.580 1.00 0.00 C ATOM 1390 CG LEU A 90 7.899 4.647 -8.474 1.00 0.00 C ATOM 1391 CD1 LEU A 90 7.835 3.206 -7.966 1.00 0.00 C ATOM 1392 CD2 LEU A 90 9.304 5.027 -8.947 1.00 0.00 C ATOM 0 H LEU A 90 7.154 6.234 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 90 5.267 6.251 -9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.023 4.217 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.314 4.598 -10.533 1.00 0.00 H new ATOM 0 HG LEU A 90 7.655 5.296 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.577 3.064 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.841 3.005 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.041 2.521 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.019 4.850 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.573 4.421 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.322 6.081 -9.223 1.00 0.00 H new ATOM 1404 N LEU A 91 6.119 7.614 -7.688 1.00 0.00 N ATOM 1405 CA LEU A 91 6.550 8.526 -6.643 1.00 0.00 C ATOM 1406 C LEU A 91 6.659 7.765 -5.320 1.00 0.00 C ATOM 1407 O LEU A 91 7.360 8.199 -4.407 1.00 0.00 O ATOM 1408 CB LEU A 91 5.623 9.742 -6.578 1.00 0.00 C ATOM 1409 CG LEU A 91 5.567 10.611 -7.835 1.00 0.00 C ATOM 1410 CD1 LEU A 91 4.513 11.711 -7.696 1.00 0.00 C ATOM 1411 CD2 LEU A 91 6.947 11.180 -8.172 1.00 0.00 C ATOM 0 H LEU A 91 5.166 7.267 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 91 7.541 8.920 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.614 9.393 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.935 10.367 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 91 5.266 9.980 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.494 12.314 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.533 11.259 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.759 12.345 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.878 11.794 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.302 11.790 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.646 10.361 -8.345 1.00 0.00 H new ATOM 1423 N TRP A 92 5.956 6.644 -5.259 1.00 0.00 N ATOM 1424 CA TRP A 92 5.966 5.818 -4.064 1.00 0.00 C ATOM 1425 C TRP A 92 5.627 4.384 -4.477 1.00 0.00 C ATOM 1426 O TRP A 92 4.877 4.169 -5.428 1.00 0.00 O ATOM 1427 CB TRP A 92 5.013 6.377 -3.005 1.00 0.00 C ATOM 1428 CG TRP A 92 4.785 5.439 -1.818 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.564 5.268 -0.740 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.668 4.545 -1.630 1.00 0.00 C ATOM 1431 NE1 TRP A 92 5.031 4.333 0.125 1.00 0.00 N ATOM 1432 CE2 TRP A 92 3.842 3.880 -0.434 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.546 4.308 -2.445 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 2.935 2.932 0.056 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.649 3.358 -1.941 1.00 0.00 C ATOM 1436 CH2 TRP A 92 1.810 2.679 -0.739 1.00 0.00 C ATOM 0 H TRP A 92 5.375 6.288 -6.018 1.00 0.00 H new ATOM 0 HA TRP A 92 6.952 5.822 -3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.410 7.323 -2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.053 6.595 -3.473 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.491 5.795 -0.570 1.00 0.00 H new ATOM 0 HE1 TRP A 92 5.435 4.030 1.011 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.389 4.818 -3.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 3.094 2.424 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.770 3.137 -2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.071 1.959 -0.419 1.00 0.00 H new ATOM 1447 N GLU A 93 6.195 3.441 -3.742 1.00 0.00 N ATOM 1448 CA GLU A 93 5.962 2.034 -4.019 1.00 0.00 C ATOM 1449 C GLU A 93 6.060 1.215 -2.731 1.00 0.00 C ATOM 1450 O GLU A 93 7.049 1.308 -2.004 1.00 0.00 O ATOM 1451 CB GLU A 93 6.941 1.514 -5.074 1.00 0.00 C ATOM 1452 CG GLU A 93 6.753 0.013 -5.305 1.00 0.00 C ATOM 1453 CD GLU A 93 8.028 -0.620 -5.865 1.00 0.00 C ATOM 1454 OE1 GLU A 93 9.060 -0.529 -5.166 1.00 0.00 O ATOM 1455 OE2 GLU A 93 7.941 -1.180 -6.980 1.00 0.00 O ATOM 0 H GLU A 93 6.817 3.623 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 93 4.954 1.925 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.791 2.051 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.964 1.711 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.484 -0.472 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.927 -0.151 -5.997 1.00 0.00 H new ATOM 1462 N GLN A 94 5.020 0.432 -2.484 1.00 0.00 N ATOM 1463 CA GLN A 94 4.976 -0.403 -1.296 1.00 0.00 C ATOM 1464 C GLN A 94 4.750 -1.866 -1.682 1.00 0.00 C ATOM 1465 O GLN A 94 3.906 -2.166 -2.525 1.00 0.00 O ATOM 1466 CB GLN A 94 3.896 0.081 -0.327 1.00 0.00 C ATOM 1467 CG GLN A 94 3.572 -0.993 0.715 1.00 0.00 C ATOM 1468 CD GLN A 94 4.821 -1.379 1.510 1.00 0.00 C ATOM 1469 OE1 GLN A 94 5.693 -0.569 1.779 1.00 0.00 O ATOM 1470 NE2 GLN A 94 4.858 -2.658 1.872 1.00 0.00 N ATOM 0 H GLN A 94 4.201 0.358 -3.087 1.00 0.00 H new ATOM 0 HA GLN A 94 5.937 -0.327 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.232 0.989 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.994 0.338 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.803 -0.625 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.165 -1.874 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.095 -3.283 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.650 -3.014 2.408 1.00 0.00 H new ATOM 1479 N GLU A 95 5.520 -2.738 -1.048 1.00 0.00 N ATOM 1480 CA GLU A 95 5.414 -4.162 -1.316 1.00 0.00 C ATOM 1481 C GLU A 95 4.543 -4.838 -0.254 1.00 0.00 C ATOM 1482 O GLU A 95 5.055 -5.518 0.634 1.00 0.00 O ATOM 1483 CB GLU A 95 6.798 -4.811 -1.383 1.00 0.00 C ATOM 1484 CG GLU A 95 7.538 -4.394 -2.655 1.00 0.00 C ATOM 1485 CD GLU A 95 8.976 -4.918 -2.651 1.00 0.00 C ATOM 1486 OE1 GLU A 95 9.152 -6.088 -2.247 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.865 -4.136 -3.050 1.00 0.00 O ATOM 0 H GLU A 95 6.220 -2.486 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 95 4.938 -4.295 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.381 -4.524 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.697 -5.896 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.010 -4.777 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.544 -3.307 -2.737 1.00 0.00 H new ATOM 1494 N LEU A 96 3.241 -4.628 -0.382 1.00 0.00 N ATOM 1495 CA LEU A 96 2.294 -5.208 0.554 1.00 0.00 C ATOM 1496 C LEU A 96 2.782 -6.597 0.971 1.00 0.00 C ATOM 1497 O LEU A 96 3.391 -7.310 0.176 1.00 0.00 O ATOM 1498 CB LEU A 96 0.884 -5.205 -0.038 1.00 0.00 C ATOM 1499 CG LEU A 96 0.326 -3.835 -0.432 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -0.979 -3.980 -1.221 1.00 0.00 C ATOM 1501 CD2 LEU A 96 0.156 -2.938 0.795 1.00 0.00 C ATOM 0 H LEU A 96 2.820 -4.064 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 96 2.236 -4.604 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.880 -5.845 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.206 -5.657 0.686 1.00 0.00 H new ATOM 0 HG LEU A 96 1.048 -3.349 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.354 -2.992 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.794 -4.556 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.719 -4.496 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.242 -1.971 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.534 -3.407 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.123 -2.795 1.278 1.00 0.00 H new ATOM 1513 N TYR A 97 2.495 -6.939 2.220 1.00 0.00 N ATOM 1514 CA TYR A 97 2.897 -8.231 2.751 1.00 0.00 C ATOM 1515 C TYR A 97 1.686 -9.016 3.258 1.00 0.00 C ATOM 1516 O TYR A 97 0.629 -8.440 3.509 1.00 0.00 O ATOM 1517 CB TYR A 97 3.824 -7.930 3.931 1.00 0.00 C ATOM 1518 CG TYR A 97 3.482 -6.638 4.678 1.00 0.00 C ATOM 1519 CD1 TYR A 97 2.428 -6.615 5.569 1.00 0.00 C ATOM 1520 CD2 TYR A 97 4.228 -5.498 4.461 1.00 0.00 C ATOM 1521 CE1 TYR A 97 2.107 -5.399 6.271 1.00 0.00 C ATOM 1522 CE2 TYR A 97 3.906 -4.283 5.164 1.00 0.00 C ATOM 1523 CZ TYR A 97 2.862 -4.294 6.034 1.00 0.00 C ATOM 1524 OH TYR A 97 2.558 -3.146 6.698 1.00 0.00 O ATOM 0 H TYR A 97 1.990 -6.345 2.878 1.00 0.00 H new ATOM 0 HA TYR A 97 3.381 -8.830 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.785 -8.764 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.850 -7.867 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.845 -7.508 5.740 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.053 -5.517 3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.285 -5.366 6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.481 -3.383 5.003 1.00 0.00 H new ATOM 0 HH TYR A 97 3.181 -2.439 6.431 1.00 0.00 H new ATOM 1534 N ASN A 98 1.880 -10.319 3.392 1.00 0.00 N ATOM 1535 CA ASN A 98 0.817 -11.190 3.865 1.00 0.00 C ATOM 1536 C ASN A 98 0.270 -10.649 5.187 1.00 0.00 C ATOM 1537 O ASN A 98 1.010 -10.070 5.978 1.00 0.00 O ATOM 1538 CB ASN A 98 1.335 -12.608 4.112 1.00 0.00 C ATOM 1539 CG ASN A 98 0.294 -13.652 3.701 1.00 0.00 C ATOM 1540 OD1 ASN A 98 -0.583 -14.025 4.464 1.00 0.00 O ATOM 1541 ND2 ASN A 98 0.438 -14.100 2.458 1.00 0.00 N ATOM 0 H ASN A 98 2.758 -10.794 3.181 1.00 0.00 H new ATOM 0 HA ASN A 98 0.040 -11.218 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.255 -12.766 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.581 -12.730 5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.208 -14.798 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.194 -13.745 1.872 1.00 0.00 H new ATOM 1548 N ASN A 99 -1.024 -10.857 5.385 1.00 0.00 N ATOM 1549 CA ASN A 99 -1.679 -10.398 6.598 1.00 0.00 C ATOM 1550 C ASN A 99 -1.617 -8.871 6.658 1.00 0.00 C ATOM 1551 O ASN A 99 -1.229 -8.302 7.676 1.00 0.00 O ATOM 1552 CB ASN A 99 -0.981 -10.949 7.843 1.00 0.00 C ATOM 1553 CG ASN A 99 -2.001 -11.466 8.860 1.00 0.00 C ATOM 1554 OD1 ASN A 99 -3.034 -12.017 8.516 1.00 0.00 O ATOM 1555 ND2 ASN A 99 -1.655 -11.258 10.126 1.00 0.00 N ATOM 0 H ASN A 99 -1.636 -11.337 4.725 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.711 -10.749 6.578 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.305 -11.755 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.372 -10.168 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.269 -11.566 10.880 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.775 -10.790 10.344 1.00 0.00 H new ATOM 1562 N PHE A 100 -2.006 -8.251 5.554 1.00 0.00 N ATOM 1563 CA PHE A 100 -2.001 -6.800 5.468 1.00 0.00 C ATOM 1564 C PHE A 100 -3.315 -6.215 5.991 1.00 0.00 C ATOM 1565 O PHE A 100 -4.388 -6.754 5.726 1.00 0.00 O ATOM 1566 CB PHE A 100 -1.849 -6.440 3.989 1.00 0.00 C ATOM 1567 CG PHE A 100 -1.650 -4.946 3.730 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -0.517 -4.326 4.156 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -2.606 -4.236 3.073 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -0.333 -2.939 3.916 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -2.422 -2.848 2.833 1.00 0.00 C ATOM 1572 CZ PHE A 100 -1.289 -2.229 3.259 1.00 0.00 C ATOM 0 H PHE A 100 -2.327 -8.727 4.711 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.189 -6.394 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.000 -6.986 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.735 -6.777 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.243 -4.889 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.506 -4.728 2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.567 -2.447 4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.182 -2.285 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.148 -1.174 3.076 1.00 0.00 H new ATOM 1582 N VAL A 101 -3.186 -5.119 6.725 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.350 -4.454 7.286 1.00 0.00 C ATOM 1584 C VAL A 101 -4.352 -2.987 6.854 1.00 0.00 C ATOM 1585 O VAL A 101 -3.303 -2.427 6.539 1.00 0.00 O ATOM 1586 CB VAL A 101 -4.369 -4.629 8.807 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -3.076 -4.105 9.435 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -5.594 -3.950 9.422 1.00 0.00 C ATOM 0 H VAL A 101 -2.294 -4.675 6.944 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.267 -4.905 6.908 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.436 -5.696 9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.115 -4.241 10.516 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.226 -4.655 9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.964 -3.045 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.583 -4.090 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.572 -2.884 9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.501 -4.392 9.008 1.00 0.00 H new ATOM 1598 N TYR A 102 -5.543 -2.406 6.852 1.00 0.00 N ATOM 1599 CA TYR A 102 -5.696 -1.014 6.463 1.00 0.00 C ATOM 1600 C TYR A 102 -6.300 -0.190 7.602 1.00 0.00 C ATOM 1601 O TYR A 102 -7.454 -0.394 7.976 1.00 0.00 O ATOM 1602 CB TYR A 102 -6.664 -1.012 5.277 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.327 0.023 4.201 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.015 0.229 3.830 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -7.337 0.748 3.602 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -4.698 1.202 2.817 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -7.020 1.721 2.589 1.00 0.00 C ATOM 1608 CZ TYR A 102 -5.716 1.900 2.247 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.417 2.820 1.290 1.00 0.00 O ATOM 0 H TYR A 102 -6.411 -2.874 7.113 1.00 0.00 H new ATOM 0 HA TYR A 102 -4.729 -0.576 6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.670 -2.003 4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.673 -0.824 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.225 -0.339 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.364 0.586 3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.675 1.373 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.800 2.296 2.112 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.984 2.672 0.505 1.00 0.00 H new ATOM 1619 N ASN A 103 -5.494 0.724 8.121 1.00 0.00 N ATOM 1620 CA ASN A 103 -5.934 1.580 9.209 1.00 0.00 C ATOM 1621 C ASN A 103 -6.686 2.783 8.633 1.00 0.00 C ATOM 1622 O ASN A 103 -6.258 3.369 7.641 1.00 0.00 O ATOM 1623 CB ASN A 103 -4.744 2.107 10.012 1.00 0.00 C ATOM 1624 CG ASN A 103 -4.387 1.151 11.153 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -4.867 1.267 12.268 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -3.518 0.203 10.812 1.00 0.00 N ATOM 0 H ASN A 103 -4.538 0.891 7.808 1.00 0.00 H new ATOM 0 HA ASN A 103 -6.577 0.991 9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.884 2.232 9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.981 3.091 10.417 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.215 -0.484 11.503 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.155 0.163 9.860 1.00 0.00 H new ATOM 1633 N SER A 104 -7.793 3.113 9.282 1.00 0.00 N ATOM 1634 CA SER A 104 -8.608 4.236 8.848 1.00 0.00 C ATOM 1635 C SER A 104 -9.417 4.781 10.026 1.00 0.00 C ATOM 1636 O SER A 104 -10.515 4.301 10.303 1.00 0.00 O ATOM 1637 CB SER A 104 -9.540 3.830 7.705 1.00 0.00 C ATOM 1638 OG SER A 104 -8.857 3.092 6.695 1.00 0.00 O ATOM 0 H SER A 104 -8.145 2.623 10.105 1.00 0.00 H new ATOM 0 HA SER A 104 -7.945 5.018 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.359 3.230 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.983 4.723 7.264 1.00 0.00 H new ATOM 0 HG SER A 104 -9.487 2.850 5.984 1.00 0.00 H new ATOM 1644 N PRO A 105 -8.830 5.803 10.703 1.00 0.00 N ATOM 1645 CA PRO A 105 -9.484 6.419 11.844 1.00 0.00 C ATOM 1646 C PRO A 105 -10.628 7.330 11.395 1.00 0.00 C ATOM 1647 O PRO A 105 -11.505 7.669 12.187 1.00 0.00 O ATOM 1648 CB PRO A 105 -8.382 7.168 12.574 1.00 0.00 C ATOM 1649 CG PRO A 105 -7.252 7.329 11.569 1.00 0.00 C ATOM 1650 CD PRO A 105 -7.530 6.397 10.401 1.00 0.00 C ATOM 0 HA PRO A 105 -9.954 5.689 12.502 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.735 8.138 12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.048 6.614 13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.190 8.362 11.227 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.294 7.088 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.553 6.941 9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.757 5.634 10.311 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.583 7.699 10.123 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.605 8.564 9.557 1.00 0.00 C ATOM 1660 C ARG A 106 -12.060 8.030 8.198 1.00 0.00 C ATOM 1661 O ARG A 106 -11.294 7.367 7.499 1.00 0.00 O ATOM 1662 CB ARG A 106 -11.086 9.993 9.389 1.00 0.00 C ATOM 1663 CG ARG A 106 -11.882 10.972 10.253 1.00 0.00 C ATOM 1664 CD ARG A 106 -11.240 11.133 11.633 1.00 0.00 C ATOM 1665 NE ARG A 106 -11.920 10.256 12.612 1.00 0.00 N ATOM 1666 CZ ARG A 106 -13.145 10.486 13.102 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -13.834 11.565 12.706 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -13.683 9.636 13.987 1.00 0.00 N ATOM 0 H ARG A 106 -9.855 7.415 9.468 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.449 8.575 10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.032 10.035 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -11.155 10.288 8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.934 11.941 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.906 10.615 10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.180 10.882 11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.306 12.172 11.955 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.425 9.424 12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.425 12.212 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.767 11.740 13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.160 8.814 14.288 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.616 9.811 14.360 1.00 0.00 H new ATOM 1682 N GLY A 107 -13.304 8.338 7.863 1.00 0.00 N ATOM 1683 CA GLY A 107 -13.870 7.896 6.600 1.00 0.00 C ATOM 1684 C GLY A 107 -13.390 8.780 5.446 1.00 0.00 C ATOM 1685 O GLY A 107 -14.175 9.526 4.862 1.00 0.00 O ATOM 0 H GLY A 107 -13.936 8.888 8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.586 6.861 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.958 7.923 6.656 1.00 0.00 H new ATOM 1689 N TYR A 108 -12.103 8.666 5.151 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.510 9.446 4.078 1.00 0.00 C ATOM 1691 C TYR A 108 -9.986 9.484 4.207 1.00 0.00 C ATOM 1692 O TYR A 108 -9.281 9.688 3.220 1.00 0.00 O ATOM 1693 CB TYR A 108 -12.060 10.865 4.233 1.00 0.00 C ATOM 1694 CG TYR A 108 -11.111 11.957 3.734 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -10.177 12.503 4.590 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -11.191 12.396 2.428 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -9.285 13.532 4.121 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -10.298 13.423 1.958 1.00 0.00 C ATOM 1699 CZ TYR A 108 -9.389 13.941 2.828 1.00 0.00 C ATOM 1700 OH TYR A 108 -8.547 14.912 2.384 1.00 0.00 O ATOM 0 H TYR A 108 -11.455 8.046 5.636 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.750 9.010 3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -13.002 10.940 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.283 11.044 5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.115 12.159 5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.923 11.969 1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -8.550 13.969 4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.349 13.774 0.938 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.735 15.102 1.441 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.522 9.287 5.433 1.00 0.00 N ATOM 1711 CA PHE A 109 -8.095 9.298 5.703 1.00 0.00 C ATOM 1712 C PHE A 109 -7.627 7.939 6.229 1.00 0.00 C ATOM 1713 O PHE A 109 -8.016 7.523 7.319 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.851 10.358 6.780 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.447 10.964 6.749 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.428 10.353 7.412 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -6.217 12.113 6.058 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -4.125 10.916 7.384 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -4.913 12.675 6.031 1.00 0.00 C ATOM 1720 CZ PHE A 109 -3.895 12.064 6.694 1.00 0.00 C ATOM 0 H PHE A 109 -10.109 9.119 6.250 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.545 9.514 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.583 11.157 6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.022 9.912 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.610 9.440 7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.025 12.597 5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.316 10.432 7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -4.730 13.588 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.903 12.491 6.672 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.798 7.285 5.429 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.273 5.982 5.799 1.00 0.00 C ATOM 1732 C HIS A 110 -4.788 6.107 6.148 1.00 0.00 C ATOM 1733 O HIS A 110 -4.045 6.817 5.472 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.538 4.955 4.696 1.00 0.00 C ATOM 1735 CG HIS A 110 -7.937 5.009 4.130 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -8.278 4.432 2.918 1.00 0.00 N ATOM 1737 CD2 HIS A 110 -9.076 5.576 4.620 1.00 0.00 C ATOM 1738 CE1 HIS A 110 -9.566 4.649 2.700 1.00 0.00 C ATOM 1739 NE2 HIS A 110 -10.058 5.359 3.757 1.00 0.00 N ATOM 0 H HIS A 110 -6.477 7.633 4.526 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.790 5.617 6.686 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.824 5.113 3.888 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.356 3.956 5.092 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -7.645 3.926 2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.163 6.112 5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.128 4.322 1.838 1.00 0.00 H new ATOM 1747 N THR A 111 -4.401 5.406 7.204 1.00 0.00 N ATOM 1748 CA THR A 111 -3.019 5.430 7.652 1.00 0.00 C ATOM 1749 C THR A 111 -2.318 4.119 7.290 1.00 0.00 C ATOM 1750 O THR A 111 -2.944 3.060 7.278 1.00 0.00 O ATOM 1751 CB THR A 111 -3.012 5.730 9.151 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.066 4.924 9.671 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.448 7.162 9.465 1.00 0.00 C ATOM 0 H THR A 111 -5.020 4.818 7.762 1.00 0.00 H new ATOM 0 HA THR A 111 -2.454 6.214 7.148 1.00 0.00 H new ATOM 0 HB THR A 111 -2.012 5.560 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.131 5.056 10.640 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.425 7.321 10.543 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.769 7.864 8.980 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.461 7.323 9.096 1.00 0.00 H new ATOM 1761 N PHE A 112 -1.029 4.232 7.005 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.238 3.068 6.646 1.00 0.00 C ATOM 1763 C PHE A 112 0.953 2.900 7.592 1.00 0.00 C ATOM 1764 O PHE A 112 1.217 3.768 8.423 1.00 0.00 O ATOM 1765 CB PHE A 112 0.283 3.303 5.226 1.00 0.00 C ATOM 1766 CG PHE A 112 1.150 2.164 4.685 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.491 2.163 4.912 1.00 0.00 C ATOM 1768 CD2 PHE A 112 0.579 1.152 3.977 1.00 0.00 C ATOM 1769 CE1 PHE A 112 3.295 1.106 4.410 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.384 0.095 3.475 1.00 0.00 C ATOM 1771 CZ PHE A 112 2.725 0.094 3.701 1.00 0.00 C ATOM 0 H PHE A 112 -0.513 5.112 7.016 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.849 2.168 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.566 3.449 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.863 4.226 5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.944 2.966 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.486 1.152 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.360 1.105 4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 112 0.931 -0.709 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.337 -0.709 3.318 1.00 0.00 H new ATOM 1781 N ALA A 113 1.641 1.779 7.434 1.00 0.00 N ATOM 1782 CA ALA A 113 2.797 1.487 8.263 1.00 0.00 C ATOM 1783 C ALA A 113 4.030 1.322 7.373 1.00 0.00 C ATOM 1784 O ALA A 113 4.163 0.321 6.670 1.00 0.00 O ATOM 1785 CB ALA A 113 2.518 0.243 9.109 1.00 0.00 C ATOM 0 H ALA A 113 1.420 1.062 6.743 1.00 0.00 H new ATOM 0 HA ALA A 113 2.994 2.311 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.386 0.024 9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.651 0.423 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.318 -0.605 8.454 1.00 0.00 H new ATOM 1791 N GLY A 114 4.901 2.319 7.430 1.00 0.00 N ATOM 1792 CA GLY A 114 6.119 2.297 6.638 1.00 0.00 C ATOM 1793 C GLY A 114 7.159 1.362 7.258 1.00 0.00 C ATOM 1794 O GLY A 114 6.907 0.743 8.291 1.00 0.00 O ATOM 0 H GLY A 114 4.787 3.148 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.891 1.971 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.528 3.305 6.565 1.00 0.00 H new ATOM 1798 N ASP A 115 8.308 1.288 6.601 1.00 0.00 N ATOM 1799 CA ASP A 115 9.388 0.440 7.074 1.00 0.00 C ATOM 1800 C ASP A 115 9.543 0.615 8.587 1.00 0.00 C ATOM 1801 O ASP A 115 9.331 -0.325 9.350 1.00 0.00 O ATOM 1802 CB ASP A 115 10.716 0.819 6.416 1.00 0.00 C ATOM 1803 CG ASP A 115 10.614 1.226 4.945 1.00 0.00 C ATOM 1804 OD1 ASP A 115 10.129 0.387 4.156 1.00 0.00 O ATOM 1805 OD2 ASP A 115 11.025 2.368 4.642 1.00 0.00 O ATOM 0 H ASP A 115 8.514 1.802 5.744 1.00 0.00 H new ATOM 0 HA ASP A 115 9.142 -0.591 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.160 1.642 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.399 -0.026 6.497 1.00 0.00 H new ATOM 1810 N THR A 116 9.911 1.828 8.975 1.00 0.00 N ATOM 1811 CA THR A 116 10.098 2.139 10.382 1.00 0.00 C ATOM 1812 C THR A 116 9.540 3.529 10.699 1.00 0.00 C ATOM 1813 O THR A 116 9.808 4.081 11.765 1.00 0.00 O ATOM 1814 CB THR A 116 11.585 1.993 10.706 1.00 0.00 C ATOM 1815 OG1 THR A 116 12.207 3.036 9.959 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.187 0.711 10.127 1.00 0.00 C ATOM 0 H THR A 116 10.085 2.607 8.339 1.00 0.00 H new ATOM 0 HA THR A 116 9.544 1.448 11.017 1.00 0.00 H new ATOM 0 HB THR A 116 11.724 2.003 11.787 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.175 3.016 10.112 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.244 0.656 10.386 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.667 -0.154 10.540 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.079 0.716 9.042 1.00 0.00 H new ATOM 1824 N CYS A 117 8.774 4.053 9.754 1.00 0.00 N ATOM 1825 CA CYS A 117 8.177 5.367 9.920 1.00 0.00 C ATOM 1826 C CYS A 117 6.677 5.252 9.640 1.00 0.00 C ATOM 1827 O CYS A 117 6.252 4.411 8.849 1.00 0.00 O ATOM 1828 CB CYS A 117 8.845 6.410 9.021 1.00 0.00 C ATOM 1829 SG CYS A 117 10.503 6.827 9.675 1.00 0.00 S ATOM 0 H CYS A 117 8.553 3.592 8.871 1.00 0.00 H new ATOM 0 HA CYS A 117 8.331 5.712 10.943 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.932 6.025 8.005 1.00 0.00 H new ATOM 0 HB3 CYS A 117 8.228 7.307 8.970 1.00 0.00 H new ATOM 0 HG CYS A 117 11.064 7.711 8.905 1.00 0.00 H new ATOM 1835 N GLN A 118 5.915 6.109 10.305 1.00 0.00 N ATOM 1836 CA GLN A 118 4.472 6.113 10.139 1.00 0.00 C ATOM 1837 C GLN A 118 4.070 7.072 9.017 1.00 0.00 C ATOM 1838 O GLN A 118 4.393 8.258 9.064 1.00 0.00 O ATOM 1839 CB GLN A 118 3.770 6.477 11.449 1.00 0.00 C ATOM 1840 CG GLN A 118 2.362 5.879 11.501 1.00 0.00 C ATOM 1841 CD GLN A 118 1.441 6.723 12.384 1.00 0.00 C ATOM 1842 OE1 GLN A 118 1.696 7.884 12.659 1.00 0.00 O ATOM 1843 NE2 GLN A 118 0.359 6.077 12.810 1.00 0.00 N ATOM 0 H GLN A 118 6.271 6.805 10.960 1.00 0.00 H new ATOM 0 HA GLN A 118 4.155 5.107 9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.355 6.112 12.293 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.712 7.561 11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.951 5.819 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.409 4.861 11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.207 5.105 12.542 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.319 6.554 13.405 1.00 0.00 H new ATOM 1852 N VAL A 119 3.371 6.523 8.034 1.00 0.00 N ATOM 1853 CA VAL A 119 2.922 7.315 6.902 1.00 0.00 C ATOM 1854 C VAL A 119 1.402 7.197 6.774 1.00 0.00 C ATOM 1855 O VAL A 119 0.819 6.186 7.163 1.00 0.00 O ATOM 1856 CB VAL A 119 3.664 6.885 5.635 1.00 0.00 C ATOM 1857 CG1 VAL A 119 5.159 7.188 5.746 1.00 0.00 C ATOM 1858 CG2 VAL A 119 3.425 5.402 5.337 1.00 0.00 C ATOM 0 H VAL A 119 3.105 5.539 7.998 1.00 0.00 H new ATOM 0 HA VAL A 119 3.155 8.369 7.057 1.00 0.00 H new ATOM 0 HB VAL A 119 3.266 7.463 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.663 6.873 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.304 8.259 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.577 6.649 6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.963 5.121 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.783 4.801 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.359 5.227 5.194 1.00 0.00 H new ATOM 1868 N ALA A 120 0.803 8.245 6.227 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.638 8.271 6.043 1.00 0.00 C ATOM 1870 C ALA A 120 -0.956 8.584 4.580 1.00 0.00 C ATOM 1871 O ALA A 120 -0.084 9.027 3.833 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.257 9.289 7.004 1.00 0.00 C ATOM 0 H ALA A 120 1.289 9.082 5.905 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.072 7.298 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.338 9.309 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.027 9.006 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.847 10.278 6.800 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.206 8.342 4.213 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.648 8.592 2.852 1.00 0.00 C ATOM 1880 C LEU A 121 -4.002 9.304 2.884 1.00 0.00 C ATOM 1881 O LEU A 121 -4.881 8.938 3.661 1.00 0.00 O ATOM 1882 CB LEU A 121 -2.654 7.294 2.043 1.00 0.00 C ATOM 1883 CG LEU A 121 -3.536 6.169 2.588 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -4.351 5.519 1.468 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -2.703 5.144 3.360 1.00 0.00 C ATOM 0 H LEU A 121 -2.927 7.975 4.835 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.950 9.255 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.978 7.523 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.630 6.926 1.976 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.246 6.603 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.969 4.723 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.990 6.268 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.675 5.102 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.354 4.355 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.954 4.711 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.206 5.635 4.197 1.00 0.00 H new ATOM 1897 N ASN A 122 -4.127 10.308 2.029 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.359 11.074 1.949 1.00 0.00 C ATOM 1899 C ASN A 122 -5.769 11.222 0.482 1.00 0.00 C ATOM 1900 O ASN A 122 -4.992 11.706 -0.338 1.00 0.00 O ATOM 1901 CB ASN A 122 -5.175 12.477 2.531 1.00 0.00 C ATOM 1902 CG ASN A 122 -3.980 13.184 1.890 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -4.017 13.607 0.746 1.00 0.00 O ATOM 1904 ND2 ASN A 122 -2.920 13.289 2.687 1.00 0.00 N ATOM 0 H ASN A 122 -3.395 10.609 1.385 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.122 10.544 2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.079 13.064 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.028 12.411 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.072 13.745 2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -2.955 12.913 3.635 1.00 0.00 H new ATOM 1911 N PHE A 123 -6.990 10.793 0.196 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.513 10.872 -1.158 1.00 0.00 C ATOM 1913 C PHE A 123 -8.039 12.276 -1.462 1.00 0.00 C ATOM 1914 O PHE A 123 -8.294 13.058 -0.548 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.671 9.875 -1.248 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.315 8.464 -0.777 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -8.419 8.141 0.541 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -7.896 7.533 -1.674 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -8.090 6.832 0.979 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -7.567 6.223 -1.236 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.670 5.899 0.081 1.00 0.00 C ATOM 0 H PHE A 123 -7.632 10.390 0.878 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.724 10.646 -1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.504 10.247 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.015 9.826 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -8.752 8.881 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -7.813 7.789 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.173 6.576 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -7.235 5.483 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.419 4.903 0.414 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.184 12.552 -2.749 1.00 0.00 N ATOM 1932 CA ALA A 124 -8.674 13.848 -3.186 1.00 0.00 C ATOM 1933 C ALA A 124 -10.203 13.854 -3.133 1.00 0.00 C ATOM 1934 O ALA A 124 -10.818 14.907 -2.970 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.138 14.152 -4.586 1.00 0.00 C ATOM 0 H ALA A 124 -7.971 11.900 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.318 14.636 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.506 15.124 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.048 14.165 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.477 13.383 -5.280 1.00 0.00 H new ATOM 1941 N ASN A 125 -10.773 12.667 -3.272 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.218 12.522 -3.242 1.00 0.00 C ATOM 1943 C ASN A 125 -12.609 11.582 -2.099 1.00 0.00 C ATOM 1944 O ASN A 125 -11.833 10.708 -1.718 1.00 0.00 O ATOM 1945 CB ASN A 125 -12.739 11.919 -4.548 1.00 0.00 C ATOM 1946 CG ASN A 125 -13.842 12.791 -5.152 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -15.023 12.595 -4.916 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -13.392 13.761 -5.944 1.00 0.00 N ATOM 0 H ASN A 125 -10.260 11.796 -3.406 1.00 0.00 H new ATOM 0 HA ASN A 125 -12.653 13.512 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -11.919 11.819 -5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.124 10.916 -4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -14.049 14.396 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -12.390 13.869 -6.099 1.00 0.00 H new ATOM 1955 N GLU A 126 -13.812 11.795 -1.585 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.315 10.978 -0.494 1.00 0.00 C ATOM 1957 C GLU A 126 -14.752 9.608 -1.015 1.00 0.00 C ATOM 1958 O GLU A 126 -14.344 8.577 -0.480 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.463 11.680 0.232 1.00 0.00 C ATOM 1960 CG GLU A 126 -15.363 11.473 1.745 1.00 0.00 C ATOM 1961 CD GLU A 126 -15.486 12.803 2.490 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -16.503 13.492 2.258 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -14.561 13.101 3.276 1.00 0.00 O ATOM 0 H GLU A 126 -14.453 12.522 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.510 10.831 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.444 12.746 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.416 11.294 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -16.148 10.793 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -14.411 11.002 1.989 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.575 9.639 -2.052 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.072 8.412 -2.652 1.00 0.00 C ATOM 1972 C GLU A 127 -14.907 7.492 -3.020 1.00 0.00 C ATOM 1973 O GLU A 127 -14.906 6.314 -2.667 1.00 0.00 O ATOM 1974 CB GLU A 127 -16.942 8.712 -3.874 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.321 9.221 -3.454 1.00 0.00 C ATOM 1976 CD GLU A 127 -19.260 9.321 -4.658 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -19.043 10.245 -5.473 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -20.172 8.469 -4.738 1.00 0.00 O ATOM 0 H GLU A 127 -15.911 10.495 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 127 -16.697 7.900 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -16.451 9.457 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -17.051 7.811 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -18.749 8.550 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -18.223 10.199 -2.983 1.00 0.00 H new ATOM 1985 N GLU A 128 -13.942 8.064 -3.724 1.00 0.00 N ATOM 1986 CA GLU A 128 -12.773 7.309 -4.144 1.00 0.00 C ATOM 1987 C GLU A 128 -12.103 6.653 -2.936 1.00 0.00 C ATOM 1988 O GLU A 128 -11.490 5.594 -3.061 1.00 0.00 O ATOM 1989 CB GLU A 128 -11.786 8.202 -4.901 1.00 0.00 C ATOM 1990 CG GLU A 128 -11.805 7.893 -6.399 1.00 0.00 C ATOM 1991 CD GLU A 128 -10.467 8.252 -7.049 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -9.662 8.918 -6.362 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -10.280 7.853 -8.219 1.00 0.00 O ATOM 0 H GLU A 128 -13.945 9.042 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.098 6.523 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.040 9.250 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.780 8.053 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.016 6.835 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.608 8.452 -6.879 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.241 7.309 -1.793 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.657 6.802 -0.564 1.00 0.00 C ATOM 2002 C ALA A 129 -12.558 5.708 0.012 1.00 0.00 C ATOM 2003 O ALA A 129 -12.071 4.706 0.532 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.446 7.959 0.416 1.00 0.00 C ATOM 0 H ALA A 129 -12.749 8.188 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.682 6.356 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.008 7.579 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -10.775 8.694 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.405 8.429 0.636 1.00 0.00 H new ATOM 2010 N LYS A 130 -13.859 5.938 -0.100 1.00 0.00 N ATOM 2011 CA LYS A 130 -14.833 4.985 0.401 1.00 0.00 C ATOM 2012 C LYS A 130 -14.745 3.694 -0.415 1.00 0.00 C ATOM 2013 O LYS A 130 -14.773 2.599 0.144 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.231 5.606 0.420 1.00 0.00 C ATOM 2015 CG LYS A 130 -17.171 4.815 1.332 1.00 0.00 C ATOM 2016 CD LYS A 130 -18.403 4.334 0.564 1.00 0.00 C ATOM 2017 CE LYS A 130 -19.671 4.492 1.406 1.00 0.00 C ATOM 2018 NZ LYS A 130 -20.468 3.246 1.382 1.00 0.00 N ATOM 0 H LYS A 130 -14.260 6.771 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.611 4.724 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.169 6.639 0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -16.636 5.630 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.642 3.959 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.481 5.439 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.504 4.902 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.276 3.288 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.404 4.740 2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.268 5.320 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.325 3.371 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -20.739 3.026 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.902 2.464 1.769 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.640 3.866 -1.724 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.548 2.728 -2.623 1.00 0.00 C ATOM 2034 C LYS A 131 -13.190 2.047 -2.440 1.00 0.00 C ATOM 2035 O LYS A 131 -13.053 0.850 -2.689 1.00 0.00 O ATOM 2036 CB LYS A 131 -14.829 3.159 -4.065 1.00 0.00 C ATOM 2037 CG LYS A 131 -13.718 4.069 -4.591 1.00 0.00 C ATOM 2038 CD LYS A 131 -12.599 3.248 -5.237 1.00 0.00 C ATOM 2039 CE LYS A 131 -11.587 4.158 -5.937 1.00 0.00 C ATOM 2040 NZ LYS A 131 -10.428 3.373 -6.415 1.00 0.00 N ATOM 0 H LYS A 131 -14.617 4.776 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.312 1.989 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -14.915 2.278 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -15.785 3.681 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.129 4.767 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.312 4.664 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -12.094 2.653 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -13.025 2.549 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.063 4.663 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.250 4.933 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -9.585 3.981 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.258 2.576 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -10.625 3.009 -7.369 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.221 2.839 -2.006 1.00 0.00 N ATOM 2055 CA PHE A 132 -10.878 2.328 -1.786 1.00 0.00 C ATOM 2056 C PHE A 132 -10.871 1.261 -0.689 1.00 0.00 C ATOM 2057 O PHE A 132 -10.458 0.127 -0.925 1.00 0.00 O ATOM 2058 CB PHE A 132 -10.017 3.511 -1.337 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.621 3.536 -1.962 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.466 3.894 -3.264 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.535 3.202 -1.214 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.170 3.917 -3.845 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.239 3.226 -1.793 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.084 3.583 -3.097 1.00 0.00 C ATOM 0 H PHE A 132 -12.339 3.831 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.498 1.873 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.533 4.438 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.918 3.484 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.328 4.161 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.659 2.918 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.047 4.200 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.377 2.961 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.098 3.601 -3.538 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.334 1.663 0.485 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.385 0.755 1.620 1.00 0.00 C ATOM 2076 C ARG A 133 -12.309 -0.426 1.313 1.00 0.00 C ATOM 2077 O ARG A 133 -12.052 -1.548 1.744 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.884 1.472 2.876 1.00 0.00 C ATOM 2079 CG ARG A 133 -11.266 0.863 4.136 1.00 0.00 C ATOM 2080 CD ARG A 133 -12.062 1.254 5.382 1.00 0.00 C ATOM 2081 NE ARG A 133 -12.624 0.046 6.024 1.00 0.00 N ATOM 2082 CZ ARG A 133 -11.927 -0.776 6.819 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -10.635 -0.525 7.075 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -12.520 -1.850 7.358 1.00 0.00 N ATOM 0 H ARG A 133 -11.677 2.604 0.676 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.373 0.392 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.633 2.531 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.971 1.405 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.239 -0.223 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.235 1.200 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.417 1.782 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.866 1.938 5.110 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.604 -0.175 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -10.183 0.292 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -10.104 -1.151 7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -13.503 -2.042 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -11.989 -2.476 7.963 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.366 -0.130 0.570 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.330 -1.154 0.201 1.00 0.00 C ATOM 2100 C LYS A 134 -13.633 -2.224 -0.643 1.00 0.00 C ATOM 2101 O LYS A 134 -13.982 -3.400 -0.570 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.543 -0.524 -0.485 1.00 0.00 C ATOM 2103 CG LYS A 134 -16.844 -0.966 0.187 1.00 0.00 C ATOM 2104 CD LYS A 134 -17.348 0.101 1.161 1.00 0.00 C ATOM 2105 CE LYS A 134 -18.248 -0.516 2.233 1.00 0.00 C ATOM 2106 NZ LYS A 134 -18.019 0.138 3.541 1.00 0.00 N ATOM 0 H LYS A 134 -13.576 0.803 0.214 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.718 -1.651 1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.462 0.562 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.558 -0.808 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -17.602 -1.158 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.682 -1.903 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.500 0.596 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.899 0.866 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -19.294 -0.409 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -18.048 -1.584 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -18.638 -0.293 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -17.025 0.014 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -18.233 1.153 3.464 1.00 0.00 H new ATOM 2120 N ALA A 135 -12.661 -1.776 -1.423 1.00 0.00 N ATOM 2121 CA ALA A 135 -11.912 -2.680 -2.279 1.00 0.00 C ATOM 2122 C ALA A 135 -10.926 -3.483 -1.428 1.00 0.00 C ATOM 2123 O ALA A 135 -10.917 -4.712 -1.474 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.214 -1.881 -3.381 1.00 0.00 C ATOM 0 H ALA A 135 -12.375 -0.799 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.582 -3.389 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.652 -2.560 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -11.960 -1.353 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.532 -1.160 -2.931 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.120 -2.755 -0.669 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.132 -3.383 0.193 1.00 0.00 C ATOM 2132 C VAL A 136 -9.821 -4.427 1.074 1.00 0.00 C ATOM 2133 O VAL A 136 -9.479 -5.607 1.029 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.386 -2.318 0.997 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.796 -2.911 2.279 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.300 -1.651 0.151 1.00 0.00 C ATOM 0 H VAL A 136 -10.131 -1.736 -0.633 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.382 -3.904 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.105 -1.551 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.271 -2.132 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.599 -3.316 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.098 -3.708 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.785 -0.898 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.584 -2.403 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.756 -1.176 -0.718 1.00 0.00 H new ATOM 2146 N THR A 137 -10.779 -3.953 1.857 1.00 0.00 N ATOM 2147 CA THR A 137 -11.519 -4.829 2.749 1.00 0.00 C ATOM 2148 C THR A 137 -12.037 -6.051 1.986 1.00 0.00 C ATOM 2149 O THR A 137 -11.851 -7.185 2.424 1.00 0.00 O ATOM 2150 CB THR A 137 -12.630 -4.008 3.406 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.390 -3.510 2.308 1.00 0.00 O ATOM 2152 CG2 THR A 137 -12.099 -2.748 4.092 1.00 0.00 C ATOM 0 H THR A 137 -11.060 -2.973 1.892 1.00 0.00 H new ATOM 0 HA THR A 137 -10.878 -5.223 3.537 1.00 0.00 H new ATOM 0 HB THR A 137 -13.154 -4.626 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 137 -13.086 -2.606 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 137 -12.928 -2.202 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.386 -3.029 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.604 -2.114 3.356 1.00 0.00 H new ATOM 2160 N ASP A 138 -12.677 -5.778 0.859 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.224 -6.840 0.032 1.00 0.00 C ATOM 2162 C ASP A 138 -12.121 -7.853 -0.283 1.00 0.00 C ATOM 2163 O ASP A 138 -12.362 -9.060 -0.279 1.00 0.00 O ATOM 2164 CB ASP A 138 -13.752 -6.290 -1.293 1.00 0.00 C ATOM 2165 CG ASP A 138 -15.277 -6.213 -1.400 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -15.937 -6.762 -0.492 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -15.747 -5.606 -2.386 1.00 0.00 O ATOM 0 H ASP A 138 -12.829 -4.836 0.499 1.00 0.00 H new ATOM 0 HA ASP A 138 -14.042 -7.307 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -13.341 -5.292 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -13.377 -6.915 -2.104 1.00 0.00 H new ATOM 2172 N LEU A 139 -10.935 -7.325 -0.549 1.00 0.00 N ATOM 2173 CA LEU A 139 -9.794 -8.168 -0.866 1.00 0.00 C ATOM 2174 C LEU A 139 -9.377 -8.944 0.385 1.00 0.00 C ATOM 2175 O LEU A 139 -9.178 -10.156 0.330 1.00 0.00 O ATOM 2176 CB LEU A 139 -8.666 -7.335 -1.478 1.00 0.00 C ATOM 2177 CG LEU A 139 -7.339 -8.064 -1.698 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -6.465 -7.318 -2.708 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -6.613 -8.291 -0.370 1.00 0.00 C ATOM 0 H LEU A 139 -10.739 -6.324 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.062 -8.904 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -9.008 -6.946 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.484 -6.476 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 139 -7.554 -9.046 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -5.528 -7.857 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.988 -7.250 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -6.255 -6.315 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -5.673 -8.811 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.410 -7.330 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.238 -8.894 0.288 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.256 -8.213 1.483 1.00 0.00 N ATOM 2192 CA LEU A 140 -8.864 -8.818 2.745 1.00 0.00 C ATOM 2193 C LEU A 140 -9.886 -9.890 3.130 1.00 0.00 C ATOM 2194 O LEU A 140 -9.517 -10.957 3.618 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.670 -7.743 3.817 1.00 0.00 C ATOM 2196 CG LEU A 140 -7.227 -7.293 4.060 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -6.924 -5.993 3.314 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -6.935 -7.176 5.557 1.00 0.00 C ATOM 0 H LEU A 140 -9.422 -7.208 1.525 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.899 -9.316 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.260 -6.870 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.077 -8.117 4.757 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.559 -8.056 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.893 -5.696 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.066 -6.146 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.597 -5.209 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -5.904 -6.855 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.609 -6.445 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.084 -8.145 6.034 1.00 0.00 H new ATOM 2210 N GLY A 141 -11.150 -9.569 2.896 1.00 0.00 N ATOM 2211 CA GLY A 141 -12.227 -10.492 3.212 1.00 0.00 C ATOM 2212 C GLY A 141 -12.069 -11.804 2.440 1.00 0.00 C ATOM 2213 O GLY A 141 -12.183 -12.885 3.016 1.00 0.00 O ATOM 0 H GLY A 141 -11.452 -8.683 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -12.235 -10.695 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.186 -10.035 2.967 1.00 0.00 H new ATOM 2217 N ARG A 142 -11.809 -11.666 1.148 1.00 0.00 N ATOM 2218 CA ARG A 142 -11.634 -12.827 0.292 1.00 0.00 C ATOM 2219 C ARG A 142 -10.379 -13.601 0.697 1.00 0.00 C ATOM 2220 O ARG A 142 -10.371 -14.830 0.680 1.00 0.00 O ATOM 2221 CB ARG A 142 -11.520 -12.414 -1.177 1.00 0.00 C ATOM 2222 CG ARG A 142 -11.822 -13.595 -2.102 1.00 0.00 C ATOM 2223 CD ARG A 142 -12.213 -13.110 -3.501 1.00 0.00 C ATOM 2224 NE ARG A 142 -13.523 -12.423 -3.450 1.00 0.00 N ATOM 2225 CZ ARG A 142 -14.262 -12.136 -4.530 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -13.824 -12.472 -5.751 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -15.440 -11.511 -4.390 1.00 0.00 N ATOM 0 H ARG A 142 -11.715 -10.768 0.673 1.00 0.00 H new ATOM 0 HA ARG A 142 -12.511 -13.464 0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -12.213 -11.598 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -10.516 -12.038 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -10.947 -14.242 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.630 -14.194 -1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -11.452 -12.431 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -12.263 -13.955 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 142 -13.886 -12.151 -2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -12.928 -12.947 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -14.387 -12.253 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -15.774 -11.254 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -16.002 -11.293 -5.212 1.00 0.00 H new