USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1242 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 1 MET CE :methyl -177:sc= -5.55! (180deg=-0.594) USER MOD Set 1.2: B 599 HIS : no HE2:sc= -11.6! C(o=-17!,f=-24!) USER MOD Set 2.1: A 81 ASN : amide:sc= -7.23! C(o=-12!,f=-7.4!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -5.17! K(o=-12!,f=-7.4) USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= 0.997 USER MOD Set 3.2: A 66 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0) USER MOD Set 4.1: A 13 LYS NZ :NH3+ 180:sc= -0.143 (180deg=0) USER MOD Set 4.2: B 616 ASN : amide:sc= -0.488 K(o=-0.63,f=0.57) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 0 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= 1.15 (180deg=1.02) USER MOD Single : A 3 SER OG : rot 43:sc= 0.0494 USER MOD Single : A 4 THR OG1 : rot 101:sc= -1.89! USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -6.57! (180deg=-8.26!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.326 USER MOD Single : A 9 TYR OH : rot -144:sc= -7.1! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 179:sc= 1.18 USER MOD Single : A 27 ASN : amide:sc= -0.57 K(o=-0.57,f=-3.9!) USER MOD Single : A 33 CYS SG : rot -130:sc= -0.383 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.221 (180deg=-0.165) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 153:sc= -1.69 USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= 0.232 (180deg=-2.69!) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 0.503 (180deg=-0.787) USER MOD Single : A 49 TYR OH : rot -172:sc= -4.59! USER MOD Single : A 56 THR OG1 : rot 122:sc= 0.939 USER MOD Single : A 59 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.97) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0823 USER MOD Single : A 91 MET CE :methyl -166:sc= -2.59! (180deg=-3.19!) USER MOD Single : A 92 SER OG : rot -160:sc= -0.148 USER MOD Single : A 95 TYR OH : rot 149:sc= 0.632 USER MOD Single : A 96 GLN : amide:sc= -3.23! C(o=-3.2!,f=-3.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -145:sc= 0.957 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 109 TYR OH : rot 180:sc= -2.1 USER MOD Single : A 110 SER OG : rot 104:sc= -0.485 USER MOD Single : A 113 ASN : amide:sc= -4.33! C(o=-4.3!,f=-2.7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.302 USER MOD Single : B 600 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 602 SER OG : rot 44:sc= 0.158 USER MOD Single : B 605 SER OG : rot -57:sc= 0.00428 USER MOD Single : B 608 LYS NZ :NH3+ -158:sc= -0.144 (180deg=-1.08) USER MOD Single : B 609 GLN : amide:sc= -4.13! K(o=-4.1!,f=-0.31) USER MOD Single : B 626 SER OG : rot 163:sc= -0.489 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -21.020 -10.644 5.152 1.00 1.12 N ATOM 2 CA HIS A 0 -19.629 -10.959 5.432 1.00 61.45 C ATOM 3 C HIS A 0 -18.756 -10.522 4.254 1.00 35.31 C ATOM 4 O HIS A 0 -19.048 -10.851 3.105 1.00 72.51 O ATOM 5 CB HIS A 0 -19.465 -12.442 5.774 1.00 53.13 C ATOM 6 CG HIS A 0 -20.054 -12.833 7.109 1.00 32.11 C ATOM 7 ND1 HIS A 0 -21.366 -13.247 7.258 1.00 32.05 N ATOM 8 CD2 HIS A 0 -19.495 -12.869 8.352 1.00 50.51 C ATOM 9 CE1 HIS A 0 -21.578 -13.516 8.537 1.00 52.22 C ATOM 10 NE2 HIS A 0 -20.417 -13.281 9.214 1.00 53.24 N ATOM 0 H1 HIS A 0 -21.612 -10.942 5.954 1.00 1.12 H new ATOM 0 H2 HIS A 0 -21.122 -9.619 5.009 1.00 1.12 H new ATOM 0 H3 HIS A 0 -21.323 -11.146 4.293 1.00 1.12 H new ATOM 0 HA HIS A 0 -19.297 -10.405 6.310 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -19.935 -13.039 4.992 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -18.404 -12.690 5.770 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -18.476 -12.607 8.594 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -22.506 -13.861 8.968 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -20.280 -13.402 10.217 1.00 53.24 H new ATOM 19 N MET A 1 -17.703 -9.787 4.579 1.00 60.44 N ATOM 20 CA MET A 1 -16.786 -9.302 3.562 1.00 22.32 C ATOM 21 C MET A 1 -15.360 -9.780 3.836 1.00 4.00 C ATOM 22 O MET A 1 -15.155 -10.737 4.581 1.00 44.45 O ATOM 23 CB MET A 1 -16.816 -7.772 3.535 1.00 71.22 C ATOM 24 CG MET A 1 -18.202 -7.244 3.910 1.00 15.14 C ATOM 25 SD MET A 1 -18.176 -5.461 3.988 1.00 51.34 S ATOM 26 CE MET A 1 -17.981 -5.078 2.255 1.00 14.51 C ATOM 0 H MET A 1 -17.464 -9.515 5.533 1.00 60.44 H new ATOM 0 HA MET A 1 -17.102 -9.698 2.597 1.00 22.32 H new ATOM 0 HB2 MET A 1 -16.073 -7.378 4.228 1.00 71.22 H new ATOM 0 HB3 MET A 1 -16.544 -7.417 2.541 1.00 71.22 H new ATOM 0 HG2 MET A 1 -18.937 -7.573 3.175 1.00 15.14 H new ATOM 0 HG3 MET A 1 -18.508 -7.654 4.873 1.00 15.14 H new ATOM 0 HE1 MET A 1 -17.892 -3.999 2.129 1.00 14.51 H new ATOM 0 HE2 MET A 1 -17.082 -5.563 1.874 1.00 14.51 H new ATOM 0 HE3 MET A 1 -18.849 -5.438 1.703 1.00 14.51 H new ATOM 36 N LYS A 2 -14.410 -9.092 3.220 1.00 62.51 N ATOM 37 CA LYS A 2 -13.007 -9.434 3.389 1.00 10.34 C ATOM 38 C LYS A 2 -12.187 -8.151 3.528 1.00 43.14 C ATOM 39 O LYS A 2 -11.352 -8.039 4.424 1.00 64.10 O ATOM 40 CB LYS A 2 -12.538 -10.345 2.252 1.00 5.43 C ATOM 41 CG LYS A 2 -13.403 -11.604 2.166 1.00 43.31 C ATOM 42 CD LYS A 2 -12.718 -12.683 1.324 1.00 21.51 C ATOM 43 CE LYS A 2 -12.960 -12.449 -0.168 1.00 53.32 C ATOM 44 NZ LYS A 2 -11.827 -11.713 -0.771 1.00 45.41 N ATOM 0 H LYS A 2 -14.584 -8.299 2.603 1.00 62.51 H new ATOM 0 HA LYS A 2 -12.861 -10.006 4.306 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -12.581 -9.804 1.307 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -11.497 -10.625 2.412 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -13.595 -11.987 3.168 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -14.370 -11.356 1.729 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -11.647 -12.682 1.527 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -13.096 -13.665 1.608 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -13.090 -13.405 -0.675 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -13.882 -11.885 -0.308 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -11.831 -11.853 -1.802 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -11.920 -10.699 -0.559 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -10.933 -12.069 -0.377 1.00 45.41 H new ATOM 58 N SER A 3 -12.454 -7.215 2.630 1.00 55.01 N ATOM 59 CA SER A 3 -11.750 -5.943 2.641 1.00 1.34 C ATOM 60 C SER A 3 -12.008 -5.215 3.962 1.00 53.21 C ATOM 61 O SER A 3 -13.156 -4.938 4.308 1.00 52.14 O ATOM 62 CB SER A 3 -12.175 -5.068 1.460 1.00 61.21 C ATOM 63 OG SER A 3 -13.591 -5.014 1.318 1.00 4.25 O ATOM 0 H SER A 3 -13.148 -7.311 1.889 1.00 55.01 H new ATOM 0 HA SER A 3 -10.682 -6.141 2.545 1.00 1.34 H new ATOM 0 HB2 SER A 3 -11.786 -4.059 1.598 1.00 61.21 H new ATOM 0 HB3 SER A 3 -11.733 -5.458 0.543 1.00 61.21 H new ATOM 0 HG SER A 3 -14.004 -4.906 2.200 1.00 4.25 H new ATOM 69 N THR A 4 -10.922 -4.925 4.662 1.00 53.15 N ATOM 70 CA THR A 4 -11.017 -4.233 5.937 1.00 1.20 C ATOM 71 C THR A 4 -10.488 -2.803 5.808 1.00 34.02 C ATOM 72 O THR A 4 -11.260 -1.846 5.846 1.00 52.13 O ATOM 73 CB THR A 4 -10.270 -5.064 6.982 1.00 73.15 C ATOM 74 OG1 THR A 4 -8.901 -4.939 6.613 1.00 53.12 O ATOM 75 CG2 THR A 4 -10.556 -6.563 6.850 1.00 74.44 C ATOM 0 H THR A 4 -9.972 -5.156 4.371 1.00 53.15 H new ATOM 0 HA THR A 4 -12.054 -4.135 6.258 1.00 1.20 H new ATOM 0 HB THR A 4 -10.548 -4.727 7.980 1.00 73.15 H new ATOM 0 HG1 THR A 4 -8.465 -4.279 7.192 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.002 -7.108 7.614 1.00 74.44 H new ATOM 0 HG22 THR A 4 -11.623 -6.742 6.978 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.246 -6.907 5.863 1.00 74.44 H new ATOM 83 N PHE A 5 -9.175 -2.703 5.659 1.00 11.00 N ATOM 84 CA PHE A 5 -8.534 -1.405 5.523 1.00 22.31 C ATOM 85 C PHE A 5 -9.214 -0.568 4.439 1.00 41.51 C ATOM 86 O PHE A 5 -9.489 0.614 4.643 1.00 44.32 O ATOM 87 CB PHE A 5 -7.083 -1.664 5.117 1.00 64.21 C ATOM 88 CG PHE A 5 -6.123 -1.820 6.299 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.540 -0.721 6.850 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.855 -3.056 6.799 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.649 -0.866 7.947 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.964 -3.200 7.895 1.00 33.11 C ATOM 93 CZ PHE A 5 -4.381 -2.102 8.447 1.00 2.25 C ATOM 0 H PHE A 5 -8.538 -3.499 5.629 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.602 -0.856 6.462 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -7.043 -2.567 4.508 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.740 -0.841 4.490 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.754 0.261 6.454 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -6.320 -3.928 6.363 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.184 0.006 8.384 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -4.749 -4.182 8.291 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.705 -2.212 9.282 1.00 2.25 H new ATOM 103 N LYS A 6 -9.465 -1.212 3.309 1.00 54.43 N ATOM 104 CA LYS A 6 -10.107 -0.541 2.191 1.00 61.10 C ATOM 105 C LYS A 6 -11.563 -0.238 2.553 1.00 23.11 C ATOM 106 O LYS A 6 -12.125 0.758 2.097 1.00 53.24 O ATOM 107 CB LYS A 6 -9.950 -1.364 0.911 1.00 72.11 C ATOM 108 CG LYS A 6 -9.876 -0.457 -0.319 1.00 41.42 C ATOM 109 CD LYS A 6 -10.651 -1.058 -1.492 1.00 55.05 C ATOM 110 CE LYS A 6 -10.254 -0.391 -2.811 1.00 11.24 C ATOM 111 NZ LYS A 6 -11.348 -0.511 -3.802 1.00 41.43 N ATOM 0 H LYS A 6 -9.235 -2.192 3.143 1.00 54.43 H new ATOM 0 HA LYS A 6 -9.622 0.414 1.990 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -9.047 -1.972 0.974 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -10.790 -2.051 0.811 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -10.282 0.525 -0.076 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.834 -0.310 -0.604 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -10.458 -2.129 -1.549 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -11.721 -0.936 -1.326 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.025 0.661 -2.639 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -9.348 -0.855 -3.202 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -11.293 0.279 -4.477 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -11.255 -1.411 -4.314 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -12.265 -0.485 -3.312 1.00 41.43 H new ATOM 125 N SER A 7 -12.131 -1.113 3.369 1.00 32.24 N ATOM 126 CA SER A 7 -13.510 -0.950 3.797 1.00 10.10 C ATOM 127 C SER A 7 -13.584 0.041 4.961 1.00 13.42 C ATOM 128 O SER A 7 -14.672 0.391 5.415 1.00 63.35 O ATOM 129 CB SER A 7 -14.123 -2.292 4.203 1.00 44.33 C ATOM 130 OG SER A 7 -15.487 -2.159 4.596 1.00 52.21 O ATOM 0 H SER A 7 -11.662 -1.937 3.745 1.00 32.24 H new ATOM 0 HA SER A 7 -14.084 -0.558 2.958 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.052 -2.990 3.369 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.549 -2.719 5.025 1.00 44.33 H new ATOM 0 HG SER A 7 -15.842 -3.037 4.847 1.00 52.21 H new ATOM 136 N GLU A 8 -12.412 0.465 5.411 1.00 33.03 N ATOM 137 CA GLU A 8 -12.330 1.409 6.512 1.00 53.01 C ATOM 138 C GLU A 8 -12.414 2.844 5.989 1.00 75.05 C ATOM 139 O GLU A 8 -13.234 3.631 6.456 1.00 11.10 O ATOM 140 CB GLU A 8 -11.049 1.194 7.322 1.00 50.33 C ATOM 141 CG GLU A 8 -11.311 0.297 8.533 1.00 33.05 C ATOM 142 CD GLU A 8 -12.223 0.993 9.546 1.00 44.11 C ATOM 143 OE1 GLU A 8 -13.440 1.086 9.322 1.00 71.32 O ATOM 144 OE2 GLU A 8 -11.627 1.447 10.596 1.00 31.12 O ATOM 0 H GLU A 8 -11.511 0.172 5.033 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.176 1.237 7.177 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.285 0.742 6.689 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.659 2.156 7.655 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.770 -0.636 8.206 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -10.365 0.037 9.009 1.00 33.05 H new ATOM 152 N TYR A 9 -11.554 3.140 5.025 1.00 11.51 N ATOM 153 CA TYR A 9 -11.521 4.467 4.433 1.00 34.03 C ATOM 154 C TYR A 9 -11.652 4.392 2.911 1.00 13.04 C ATOM 155 O TYR A 9 -11.494 3.323 2.323 1.00 20.14 O ATOM 156 CB TYR A 9 -10.152 5.052 4.788 1.00 23.45 C ATOM 157 CG TYR A 9 -9.006 4.041 4.715 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.732 3.231 5.797 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.246 3.943 3.568 1.00 32.35 C ATOM 160 CE1 TYR A 9 -7.651 2.279 5.729 1.00 14.01 C ATOM 161 CE2 TYR A 9 -7.167 2.991 3.499 1.00 14.04 C ATOM 162 CZ TYR A 9 -6.923 2.207 4.583 1.00 24.23 C ATOM 163 OH TYR A 9 -5.903 1.308 4.518 1.00 62.13 O ATOM 0 H TYR A 9 -10.875 2.484 4.639 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.345 5.075 4.806 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -9.936 5.880 4.113 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.195 5.465 5.796 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.327 3.310 6.695 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -8.460 4.580 2.722 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -7.425 1.638 6.569 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -6.565 2.902 2.606 1.00 14.04 H new ATOM 0 HH TYR A 9 -5.164 1.688 3.998 1.00 62.13 H new ATOM 173 N PRO A 10 -11.948 5.571 2.301 1.00 21.33 N ATOM 174 CA PRO A 10 -12.102 5.649 0.858 1.00 5.43 C ATOM 175 C PRO A 10 -10.744 5.587 0.157 1.00 23.30 C ATOM 176 O PRO A 10 -9.711 5.427 0.808 1.00 24.20 O ATOM 177 CB PRO A 10 -12.839 6.955 0.611 1.00 2.54 C ATOM 178 CG PRO A 10 -12.658 7.780 1.875 1.00 23.32 C ATOM 179 CD PRO A 10 -12.142 6.857 2.966 1.00 44.44 C ATOM 0 HA PRO A 10 -12.662 4.808 0.449 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.433 7.475 -0.257 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.895 6.776 0.409 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -11.955 8.595 1.701 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.604 8.232 2.174 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.209 7.228 3.391 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -12.855 6.775 3.786 1.00 44.44 H new ATOM 187 N PHE A 11 -10.786 5.716 -1.161 1.00 12.11 N ATOM 188 CA PHE A 11 -9.572 5.678 -1.957 1.00 25.15 C ATOM 189 C PHE A 11 -8.652 6.852 -1.613 1.00 3.34 C ATOM 190 O PHE A 11 -7.500 6.652 -1.233 1.00 13.02 O ATOM 191 CB PHE A 11 -9.994 5.788 -3.423 1.00 73.12 C ATOM 192 CG PHE A 11 -8.852 6.153 -4.373 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.992 5.192 -4.805 1.00 3.24 C ATOM 194 CD2 PHE A 11 -8.696 7.440 -4.788 1.00 64.31 C ATOM 195 CE1 PHE A 11 -6.931 5.531 -5.687 1.00 60.21 C ATOM 196 CE2 PHE A 11 -7.637 7.780 -5.670 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.777 6.817 -6.101 1.00 72.02 C ATOM 0 H PHE A 11 -11.643 5.847 -1.698 1.00 12.11 H new ATOM 0 HA PHE A 11 -9.027 4.755 -1.759 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.426 4.838 -3.738 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.779 6.539 -3.509 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.116 4.170 -4.477 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -9.379 8.203 -4.446 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -6.247 4.768 -6.028 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -7.514 8.801 -5.999 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.971 7.075 -6.773 1.00 72.02 H new ATOM 207 N GLU A 12 -9.197 8.050 -1.759 1.00 32.21 N ATOM 208 CA GLU A 12 -8.440 9.256 -1.469 1.00 43.50 C ATOM 209 C GLU A 12 -7.632 9.079 -0.180 1.00 41.32 C ATOM 210 O GLU A 12 -6.582 9.697 -0.014 1.00 72.13 O ATOM 211 CB GLU A 12 -9.364 10.473 -1.374 1.00 61.12 C ATOM 212 CG GLU A 12 -9.622 11.075 -2.757 1.00 72.25 C ATOM 213 CD GLU A 12 -10.793 12.058 -2.716 1.00 53.25 C ATOM 214 OE1 GLU A 12 -10.601 13.238 -2.386 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.936 11.559 -3.045 1.00 20.32 O ATOM 0 H GLU A 12 -10.153 8.212 -2.074 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.744 9.431 -2.290 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.310 10.181 -0.918 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -8.916 11.225 -0.724 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.726 11.586 -3.108 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -9.835 10.279 -3.470 1.00 72.25 H new ATOM 223 N LYS A 13 -8.154 8.233 0.696 1.00 5.43 N ATOM 224 CA LYS A 13 -7.495 7.967 1.963 1.00 64.41 C ATOM 225 C LYS A 13 -6.258 7.102 1.716 1.00 40.34 C ATOM 226 O LYS A 13 -5.172 7.409 2.207 1.00 3.22 O ATOM 227 CB LYS A 13 -8.481 7.361 2.963 1.00 65.01 C ATOM 228 CG LYS A 13 -9.090 8.443 3.857 1.00 14.12 C ATOM 229 CD LYS A 13 -7.999 9.216 4.602 1.00 72.31 C ATOM 230 CE LYS A 13 -8.531 9.786 5.918 1.00 2.41 C ATOM 231 NZ LYS A 13 -7.814 11.031 6.274 1.00 34.20 N ATOM 0 H LYS A 13 -9.026 7.723 0.553 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.150 8.896 2.416 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.273 6.839 2.427 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -7.971 6.620 3.579 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.679 9.131 3.251 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -9.772 7.986 4.574 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.154 8.557 4.802 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.629 10.026 3.974 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.598 9.988 5.828 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -8.411 9.051 6.714 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.189 11.403 7.170 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -6.799 10.829 6.380 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -7.950 11.737 5.522 1.00 34.20 H new ATOM 245 N ARG A 14 -6.463 6.034 0.959 1.00 61.35 N ATOM 246 CA ARG A 14 -5.378 5.122 0.642 1.00 70.54 C ATOM 247 C ARG A 14 -4.233 5.874 -0.040 1.00 72.40 C ATOM 248 O ARG A 14 -3.064 5.641 0.265 1.00 21.25 O ATOM 249 CB ARG A 14 -5.856 3.995 -0.277 1.00 65.45 C ATOM 250 CG ARG A 14 -4.800 2.894 -0.389 1.00 13.40 C ATOM 251 CD ARG A 14 -4.715 2.082 0.905 1.00 22.22 C ATOM 252 NE ARG A 14 -5.895 1.198 1.027 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.979 0.159 1.883 1.00 43.14 C ATOM 254 NH1 ARG A 14 -4.947 -0.137 2.703 1.00 33.03 N ATOM 255 NH2 ARG A 14 -7.083 -0.564 1.909 1.00 2.22 N ATOM 0 H ARG A 14 -7.365 5.780 0.556 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.026 4.689 1.578 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -6.785 3.575 0.109 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -6.075 4.396 -1.267 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -5.045 2.234 -1.221 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -3.829 3.338 -0.609 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -3.802 1.486 0.911 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -4.663 2.753 1.762 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.697 1.386 0.425 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -4.097 0.427 2.677 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -5.018 -0.924 3.348 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -7.858 -0.334 1.287 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -7.161 -1.353 2.551 1.00 2.22 H new ATOM 269 N LYS A 15 -4.609 6.761 -0.949 1.00 2.20 N ATOM 270 CA LYS A 15 -3.628 7.549 -1.676 1.00 31.35 C ATOM 271 C LYS A 15 -3.005 8.579 -0.731 1.00 5.31 C ATOM 272 O LYS A 15 -1.793 8.781 -0.739 1.00 31.23 O ATOM 273 CB LYS A 15 -4.255 8.163 -2.928 1.00 63.02 C ATOM 274 CG LYS A 15 -4.671 9.613 -2.678 1.00 33.43 C ATOM 275 CD LYS A 15 -5.531 10.144 -3.828 1.00 1.00 C ATOM 276 CE LYS A 15 -5.744 11.654 -3.700 1.00 21.04 C ATOM 277 NZ LYS A 15 -5.523 12.321 -5.004 1.00 61.42 N ATOM 0 H LYS A 15 -5.579 6.952 -1.199 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.818 6.913 -2.033 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.543 8.122 -3.753 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.124 7.578 -3.228 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.227 9.679 -1.743 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -3.783 10.235 -2.566 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.050 9.920 -4.780 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.495 9.636 -3.831 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -6.756 11.856 -3.348 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.060 12.062 -2.956 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -5.672 13.345 -4.900 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -4.550 12.143 -5.324 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -6.192 11.944 -5.705 1.00 61.42 H new ATOM 291 N ALA A 16 -3.865 9.203 0.060 1.00 43.45 N ATOM 292 CA ALA A 16 -3.416 10.207 1.009 1.00 33.41 C ATOM 293 C ALA A 16 -2.434 9.570 1.993 1.00 52.13 C ATOM 294 O ALA A 16 -1.515 10.231 2.476 1.00 11.03 O ATOM 295 CB ALA A 16 -4.628 10.825 1.712 1.00 50.03 C ATOM 0 H ALA A 16 -4.871 9.033 0.063 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.892 11.013 0.495 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -4.291 11.578 2.424 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.279 11.291 0.972 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.178 10.047 2.241 1.00 50.03 H new ATOM 301 N GLU A 17 -2.659 8.292 2.261 1.00 45.42 N ATOM 302 CA GLU A 17 -1.805 7.558 3.178 1.00 11.22 C ATOM 303 C GLU A 17 -0.428 7.328 2.553 1.00 13.51 C ATOM 304 O GLU A 17 0.595 7.508 3.214 1.00 44.12 O ATOM 305 CB GLU A 17 -2.450 6.231 3.585 1.00 32.21 C ATOM 306 CG GLU A 17 -1.479 5.377 4.404 1.00 41.44 C ATOM 307 CD GLU A 17 -1.152 6.050 5.740 1.00 1.55 C ATOM 308 OE1 GLU A 17 0.029 6.222 6.074 1.00 64.25 O ATOM 309 OE2 GLU A 17 -2.178 6.399 6.440 1.00 63.21 O ATOM 0 H GLU A 17 -3.421 7.746 1.859 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.678 8.155 4.081 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.351 6.424 4.168 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.758 5.684 2.694 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.916 4.395 4.584 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.561 5.219 3.838 1.00 41.44 H new ATOM 317 N SER A 18 -0.445 6.936 1.288 1.00 32.43 N ATOM 318 CA SER A 18 0.790 6.682 0.567 1.00 63.41 C ATOM 319 C SER A 18 1.521 7.998 0.297 1.00 73.40 C ATOM 320 O SER A 18 2.722 8.003 0.032 1.00 73.04 O ATOM 321 CB SER A 18 0.519 5.947 -0.748 1.00 72.20 C ATOM 322 OG SER A 18 -0.287 6.717 -1.634 1.00 23.24 O ATOM 0 H SER A 18 -1.295 6.788 0.744 1.00 32.43 H new ATOM 0 HA SER A 18 1.421 6.044 1.186 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.466 5.710 -1.233 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.023 4.999 -0.538 1.00 72.20 H new ATOM 0 HG SER A 18 -0.417 6.223 -2.470 1.00 23.24 H new ATOM 328 N GLU A 19 0.764 9.083 0.376 1.00 72.31 N ATOM 329 CA GLU A 19 1.325 10.404 0.143 1.00 1.34 C ATOM 330 C GLU A 19 2.331 10.755 1.241 1.00 3.30 C ATOM 331 O GLU A 19 3.214 11.586 1.036 1.00 22.02 O ATOM 332 CB GLU A 19 0.221 11.460 0.053 1.00 51.31 C ATOM 333 CG GLU A 19 -0.486 11.399 -1.303 1.00 25.43 C ATOM 334 CD GLU A 19 0.211 12.296 -2.326 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.427 12.168 -2.537 1.00 65.44 O ATOM 336 OE2 GLU A 19 -0.555 13.151 -2.915 1.00 13.54 O ATOM 0 H GLU A 19 -0.232 9.075 0.598 1.00 72.31 H new ATOM 0 HA GLU A 19 1.850 10.391 -0.812 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.503 11.303 0.852 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.648 12.452 0.200 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.498 10.371 -1.665 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.525 11.710 -1.190 1.00 25.43 H new ATOM 344 N ARG A 20 2.162 10.103 2.382 1.00 64.42 N ATOM 345 CA ARG A 20 3.045 10.336 3.514 1.00 61.32 C ATOM 346 C ARG A 20 4.071 9.205 3.628 1.00 72.54 C ATOM 347 O ARG A 20 5.236 9.451 3.939 1.00 12.42 O ATOM 348 CB ARG A 20 2.252 10.429 4.820 1.00 21.21 C ATOM 349 CG ARG A 20 1.034 11.341 4.657 1.00 4.23 C ATOM 350 CD ARG A 20 0.198 11.372 5.938 1.00 54.55 C ATOM 351 NE ARG A 20 -0.740 10.227 5.958 1.00 51.32 N ATOM 352 CZ ARG A 20 -1.878 10.193 6.683 1.00 55.13 C ATOM 353 NH1 ARG A 20 -2.229 11.243 7.457 1.00 61.44 N ATOM 354 NH2 ARG A 20 -2.641 9.119 6.626 1.00 74.03 N ATOM 0 H ARG A 20 1.428 9.414 2.548 1.00 64.42 H new ATOM 0 HA ARG A 20 3.559 11.282 3.345 1.00 61.32 H new ATOM 0 HB2 ARG A 20 1.928 9.434 5.125 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.894 10.812 5.613 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.362 12.350 4.408 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.421 10.990 3.827 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.851 11.333 6.810 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.357 12.308 5.997 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.512 9.412 5.388 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -1.632 12.069 7.497 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -3.091 11.209 8.002 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.368 8.330 6.040 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -3.504 9.077 7.168 1.00 74.03 H new ATOM 368 N ILE A 21 3.600 7.994 3.371 1.00 62.20 N ATOM 369 CA ILE A 21 4.462 6.827 3.440 1.00 14.54 C ATOM 370 C ILE A 21 5.606 6.982 2.436 1.00 33.24 C ATOM 371 O ILE A 21 6.644 6.333 2.566 1.00 12.23 O ATOM 372 CB ILE A 21 3.647 5.546 3.250 1.00 70.13 C ATOM 373 CG1 ILE A 21 3.073 5.060 4.583 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.477 4.465 2.556 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.953 4.041 4.358 1.00 64.42 C ATOM 0 H ILE A 21 2.633 7.796 3.115 1.00 62.20 H new ATOM 0 HA ILE A 21 4.914 6.746 4.429 1.00 14.54 H new ATOM 0 HB ILE A 21 2.803 5.771 2.598 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.865 4.609 5.182 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.689 5.909 5.149 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.874 3.566 2.434 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.796 4.824 1.578 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.353 4.234 3.162 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.562 3.711 5.321 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.152 4.502 3.780 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.346 3.183 3.813 1.00 64.42 H new ATOM 387 N ALA A 22 5.379 7.846 1.458 1.00 53.32 N ATOM 388 CA ALA A 22 6.378 8.095 0.431 1.00 24.25 C ATOM 389 C ALA A 22 7.427 9.068 0.972 1.00 24.12 C ATOM 390 O ALA A 22 8.545 9.125 0.465 1.00 11.34 O ATOM 391 CB ALA A 22 5.692 8.618 -0.833 1.00 5.11 C ATOM 0 H ALA A 22 4.518 8.383 1.354 1.00 53.32 H new ATOM 0 HA ALA A 22 6.892 7.172 0.163 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.441 8.805 -1.603 1.00 5.11 H new ATOM 0 HB2 ALA A 22 4.979 7.877 -1.193 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.167 9.546 -0.605 1.00 5.11 H new ATOM 397 N ASP A 23 7.027 9.811 1.993 1.00 25.10 N ATOM 398 CA ASP A 23 7.918 10.779 2.608 1.00 52.05 C ATOM 399 C ASP A 23 8.439 10.219 3.933 1.00 73.32 C ATOM 400 O ASP A 23 9.383 10.755 4.510 1.00 52.31 O ATOM 401 CB ASP A 23 7.187 12.091 2.904 1.00 42.33 C ATOM 402 CG ASP A 23 8.094 13.308 3.096 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.840 13.401 4.082 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.015 14.199 2.165 1.00 10.42 O ATOM 0 H ASP A 23 6.097 9.762 2.410 1.00 25.10 H new ATOM 0 HA ASP A 23 8.737 10.970 1.914 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.496 12.297 2.086 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.586 11.959 3.804 1.00 42.33 H new ATOM 410 N ARG A 24 7.800 9.146 4.377 1.00 2.03 N ATOM 411 CA ARG A 24 8.186 8.506 5.623 1.00 72.20 C ATOM 412 C ARG A 24 9.107 7.318 5.345 1.00 42.41 C ATOM 413 O ARG A 24 10.162 7.187 5.967 1.00 42.21 O ATOM 414 CB ARG A 24 6.958 8.022 6.397 1.00 3.23 C ATOM 415 CG ARG A 24 6.265 9.185 7.109 1.00 41.44 C ATOM 416 CD ARG A 24 6.808 9.360 8.528 1.00 53.35 C ATOM 417 NE ARG A 24 6.534 8.147 9.329 1.00 3.11 N ATOM 418 CZ ARG A 24 5.398 7.941 10.027 1.00 64.41 C ATOM 419 NH1 ARG A 24 4.418 8.868 10.028 1.00 24.30 N ATOM 420 NH2 ARG A 24 5.260 6.818 10.709 1.00 54.54 N ATOM 0 H ARG A 24 7.017 8.704 3.895 1.00 2.03 H new ATOM 0 HA ARG A 24 8.713 9.245 6.227 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.259 7.541 5.713 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.257 7.270 7.127 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.415 10.104 6.542 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.191 9.005 7.146 1.00 41.44 H new ATOM 0 HD2 ARG A 24 7.881 9.549 8.495 1.00 53.35 H new ATOM 0 HD3 ARG A 24 6.346 10.228 8.998 1.00 53.35 H new ATOM 0 HE ARG A 24 7.249 7.420 9.355 1.00 3.11 H new ATOM 0 HH11 ARG A 24 4.533 9.732 9.498 1.00 24.30 H new ATOM 0 HH12 ARG A 24 3.562 8.705 10.558 1.00 24.30 H new ATOM 0 HH21 ARG A 24 6.006 6.122 10.703 1.00 54.54 H new ATOM 0 HH22 ARG A 24 4.407 6.647 11.242 1.00 54.54 H new ATOM 434 N PHE A 25 8.678 6.480 4.413 1.00 64.32 N ATOM 435 CA PHE A 25 9.452 5.306 4.046 1.00 21.45 C ATOM 436 C PHE A 25 9.564 5.178 2.526 1.00 22.31 C ATOM 437 O PHE A 25 8.729 4.537 1.890 1.00 4.20 O ATOM 438 CB PHE A 25 8.705 4.089 4.595 1.00 21.33 C ATOM 439 CG PHE A 25 7.968 4.351 5.910 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.613 4.179 7.096 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.671 4.757 5.895 1.00 62.14 C ATOM 442 CE1 PHE A 25 7.930 4.423 8.316 1.00 64.13 C ATOM 443 CE2 PHE A 25 5.988 5.002 7.116 1.00 33.12 C ATOM 444 CZ PHE A 25 6.632 4.828 8.302 1.00 35.34 C ATOM 0 H PHE A 25 7.803 6.591 3.900 1.00 64.32 H new ATOM 0 HA PHE A 25 10.460 5.382 4.453 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.986 3.750 3.849 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.416 3.276 4.745 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.644 3.857 7.109 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.159 4.893 4.954 1.00 62.14 H new ATOM 0 HE1 PHE A 25 8.442 4.287 9.257 1.00 64.13 H new ATOM 0 HE2 PHE A 25 4.958 5.326 7.103 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.113 5.011 9.231 1.00 35.34 H new ATOM 454 N PRO A 26 10.632 5.813 1.973 1.00 41.11 N ATOM 455 CA PRO A 26 10.866 5.776 0.539 1.00 13.25 C ATOM 456 C PRO A 26 11.409 4.413 0.107 1.00 62.02 C ATOM 457 O PRO A 26 11.108 3.938 -0.986 1.00 74.20 O ATOM 458 CB PRO A 26 11.834 6.916 0.268 1.00 14.12 C ATOM 459 CG PRO A 26 12.467 7.251 1.610 1.00 11.53 C ATOM 460 CD PRO A 26 11.642 6.582 2.696 1.00 22.31 C ATOM 0 HA PRO A 26 9.951 5.903 -0.040 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.591 6.621 -0.459 1.00 14.12 H new ATOM 0 HB3 PRO A 26 11.314 7.780 -0.146 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.498 6.900 1.644 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.493 8.330 1.761 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.259 5.936 3.321 1.00 22.31 H new ATOM 0 HD3 PRO A 26 11.182 7.319 3.355 1.00 22.31 H new ATOM 468 N ASN A 27 12.203 3.822 0.989 1.00 3.54 N ATOM 469 CA ASN A 27 12.792 2.523 0.712 1.00 53.31 C ATOM 470 C ASN A 27 11.863 1.425 1.233 1.00 42.04 C ATOM 471 O ASN A 27 12.322 0.429 1.789 1.00 41.30 O ATOM 472 CB ASN A 27 14.143 2.371 1.415 1.00 71.12 C ATOM 473 CG ASN A 27 14.056 2.822 2.875 1.00 53.14 C ATOM 474 OD1 ASN A 27 13.019 2.746 3.514 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.200 3.291 3.364 1.00 54.31 N ATOM 0 H ASN A 27 12.452 4.219 1.895 1.00 3.54 H new ATOM 0 HA ASN A 27 12.933 2.439 -0.366 1.00 53.31 H new ATOM 0 HB2 ASN A 27 14.465 1.331 1.371 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.897 2.960 0.893 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.247 3.615 4.330 1.00 54.31 H new ATOM 0 HD22 ASN A 27 16.031 3.326 2.773 1.00 54.31 H new ATOM 482 N ARG A 28 10.571 1.644 1.033 1.00 14.04 N ATOM 483 CA ARG A 28 9.572 0.686 1.476 1.00 70.34 C ATOM 484 C ARG A 28 8.661 0.293 0.311 1.00 20.11 C ATOM 485 O ARG A 28 8.729 0.889 -0.763 1.00 11.54 O ATOM 486 CB ARG A 28 8.721 1.261 2.609 1.00 32.42 C ATOM 487 CG ARG A 28 9.375 1.012 3.968 1.00 75.13 C ATOM 488 CD ARG A 28 9.677 -0.475 4.166 1.00 41.41 C ATOM 489 NE ARG A 28 9.450 -0.854 5.579 1.00 33.42 N ATOM 490 CZ ARG A 28 10.164 -0.369 6.617 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.158 0.521 6.408 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.876 -0.775 7.838 1.00 71.52 N ATOM 0 H ARG A 28 10.193 2.471 0.570 1.00 14.04 H new ATOM 0 HA ARG A 28 10.098 -0.195 1.844 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.584 2.332 2.458 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.730 0.808 2.590 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.298 1.587 4.043 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.716 1.362 4.763 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.041 -1.074 3.514 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.709 -0.685 3.886 1.00 41.41 H new ATOM 0 HE ARG A 28 8.708 -1.524 5.781 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.374 0.831 5.461 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.693 0.883 7.198 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.123 -1.446 7.988 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.406 -0.418 8.633 1.00 71.52 H new ATOM 506 N ILE A 29 7.830 -0.708 0.563 1.00 73.21 N ATOM 507 CA ILE A 29 6.907 -1.188 -0.452 1.00 73.02 C ATOM 508 C ILE A 29 5.532 -1.410 0.180 1.00 4.10 C ATOM 509 O ILE A 29 5.288 -2.445 0.798 1.00 71.12 O ATOM 510 CB ILE A 29 7.472 -2.427 -1.147 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.881 -2.163 -1.682 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.526 -2.920 -2.243 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.841 -1.229 -2.892 1.00 4.23 C ATOM 0 H ILE A 29 7.777 -1.200 1.455 1.00 73.21 H new ATOM 0 HA ILE A 29 6.781 -0.442 -1.236 1.00 73.02 H new ATOM 0 HB ILE A 29 7.553 -3.225 -0.409 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.495 -1.721 -0.897 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.351 -3.106 -1.961 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.952 -3.802 -2.721 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.562 -3.175 -1.804 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.389 -2.134 -2.986 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.855 -1.057 -3.253 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.246 -1.685 -3.684 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.393 -0.278 -2.603 1.00 4.23 H new ATOM 525 N PRO A 30 4.646 -0.393 0.000 1.00 11.44 N ATOM 526 CA PRO A 30 3.302 -0.466 0.546 1.00 41.20 C ATOM 527 C PRO A 30 2.428 -1.419 -0.274 1.00 64.02 C ATOM 528 O PRO A 30 2.184 -1.181 -1.455 1.00 31.24 O ATOM 529 CB PRO A 30 2.793 0.965 0.533 1.00 23.13 C ATOM 530 CG PRO A 30 3.684 1.716 -0.443 1.00 14.13 C ATOM 531 CD PRO A 30 4.900 0.849 -0.725 1.00 23.23 C ATOM 0 HA PRO A 30 3.281 -0.873 1.557 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.750 1.006 0.220 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.844 1.407 1.528 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.145 1.929 -1.366 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.988 2.675 -0.023 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.017 0.667 -1.793 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.816 1.328 -0.381 1.00 23.23 H new ATOM 539 N VAL A 31 1.983 -2.478 0.386 1.00 35.55 N ATOM 540 CA VAL A 31 1.141 -3.467 -0.267 1.00 53.01 C ATOM 541 C VAL A 31 -0.020 -3.834 0.660 1.00 30.13 C ATOM 542 O VAL A 31 0.077 -3.675 1.875 1.00 73.51 O ATOM 543 CB VAL A 31 1.983 -4.677 -0.680 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.234 -4.239 -1.443 1.00 75.34 C ATOM 545 CG2 VAL A 31 2.351 -5.529 0.536 1.00 45.11 C ATOM 0 H VAL A 31 2.189 -2.673 1.366 1.00 35.55 H new ATOM 0 HA VAL A 31 0.710 -3.060 -1.181 1.00 53.01 H new ATOM 0 HB VAL A 31 1.381 -5.292 -1.349 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.815 -5.117 -1.725 1.00 75.34 H new ATOM 0 HG12 VAL A 31 2.941 -3.695 -2.341 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.840 -3.592 -0.808 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.949 -6.382 0.215 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.925 -4.928 1.241 1.00 45.11 H new ATOM 0 HG23 VAL A 31 1.441 -5.885 1.020 1.00 45.11 H new ATOM 555 N ILE A 32 -1.090 -4.319 0.049 1.00 65.24 N ATOM 556 CA ILE A 32 -2.269 -4.710 0.804 1.00 51.12 C ATOM 557 C ILE A 32 -2.619 -6.163 0.478 1.00 43.11 C ATOM 558 O ILE A 32 -3.148 -6.454 -0.595 1.00 14.33 O ATOM 559 CB ILE A 32 -3.416 -3.730 0.552 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.944 -2.283 0.702 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.611 -4.040 1.455 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.580 -1.972 2.155 1.00 50.14 C ATOM 0 H ILE A 32 -1.166 -4.450 -0.960 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.069 -4.662 1.874 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.751 -3.854 -0.478 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.079 -2.111 0.062 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.728 -1.604 0.367 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.412 -3.328 1.255 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.966 -5.051 1.255 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.308 -3.962 2.499 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.248 -0.937 2.233 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.454 -2.121 2.789 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -1.779 -2.636 2.479 1.00 50.14 H new ATOM 574 N CYS A 33 -2.311 -7.039 1.423 1.00 2.21 N ATOM 575 CA CYS A 33 -2.586 -8.455 1.250 1.00 35.42 C ATOM 576 C CYS A 33 -4.034 -8.718 1.668 1.00 3.32 C ATOM 577 O CYS A 33 -4.536 -8.098 2.605 1.00 43.20 O ATOM 578 CB CYS A 33 -1.598 -9.323 2.033 1.00 33.30 C ATOM 579 SG CYS A 33 -1.390 -10.940 1.201 1.00 13.01 S ATOM 0 H CYS A 33 -1.873 -6.795 2.312 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.457 -8.728 0.203 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.636 -8.816 2.107 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -1.959 -9.472 3.051 1.00 33.30 H new ATOM 0 HG CYS A 33 -1.539 -11.897 2.068 1.00 13.01 H new ATOM 585 N GLU A 34 -4.665 -9.638 0.955 1.00 15.11 N ATOM 586 CA GLU A 34 -6.045 -9.991 1.241 1.00 60.01 C ATOM 587 C GLU A 34 -6.298 -11.462 0.906 1.00 42.00 C ATOM 588 O GLU A 34 -5.582 -12.050 0.098 1.00 21.50 O ATOM 589 CB GLU A 34 -7.013 -9.082 0.478 1.00 74.13 C ATOM 590 CG GLU A 34 -8.411 -9.131 1.095 1.00 21.12 C ATOM 591 CD GLU A 34 -9.396 -8.281 0.289 1.00 33.02 C ATOM 592 OE1 GLU A 34 -9.268 -8.183 -0.939 1.00 61.31 O ATOM 593 OE2 GLU A 34 -10.320 -7.710 0.985 1.00 64.42 O ATOM 0 H GLU A 34 -4.246 -10.150 0.179 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.223 -9.845 2.306 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.642 -8.057 0.490 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -7.061 -9.391 -0.566 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.760 -10.163 1.131 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.371 -8.771 2.123 1.00 21.12 H new ATOM 601 N LYS A 35 -7.317 -12.015 1.545 1.00 12.15 N ATOM 602 CA LYS A 35 -7.674 -13.407 1.326 1.00 74.11 C ATOM 603 C LYS A 35 -8.732 -13.491 0.226 1.00 65.13 C ATOM 604 O LYS A 35 -9.761 -12.819 0.296 1.00 52.34 O ATOM 605 CB LYS A 35 -8.100 -14.065 2.640 1.00 54.43 C ATOM 606 CG LYS A 35 -7.738 -15.551 2.653 1.00 11.23 C ATOM 607 CD LYS A 35 -8.747 -16.367 1.843 1.00 11.40 C ATOM 608 CE LYS A 35 -9.944 -16.770 2.706 1.00 71.14 C ATOM 609 NZ LYS A 35 -11.054 -15.806 2.534 1.00 23.43 N ATOM 0 H LYS A 35 -7.908 -11.524 2.216 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.808 -13.971 0.980 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.615 -13.562 3.476 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.175 -13.948 2.777 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.738 -15.689 2.241 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.712 -15.914 3.680 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.090 -15.783 0.989 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.263 -17.259 1.446 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.278 -17.771 2.431 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.648 -16.809 3.754 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.924 -16.202 2.944 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.818 -14.915 3.016 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -11.201 -15.623 1.521 1.00 23.43 H new ATOM 623 N ALA A 36 -8.444 -14.321 -0.766 1.00 44.15 N ATOM 624 CA ALA A 36 -9.360 -14.500 -1.880 1.00 42.21 C ATOM 625 C ALA A 36 -10.708 -14.997 -1.353 1.00 35.03 C ATOM 626 O ALA A 36 -10.867 -15.214 -0.153 1.00 61.54 O ATOM 627 CB ALA A 36 -8.743 -15.463 -2.897 1.00 55.13 C ATOM 0 H ALA A 36 -7.590 -14.876 -0.822 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.534 -13.552 -2.389 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.429 -15.598 -3.733 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.802 -15.052 -3.263 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.558 -16.426 -2.421 1.00 55.13 H new ATOM 633 N GLU A 37 -11.645 -15.159 -2.275 1.00 33.15 N ATOM 634 CA GLU A 37 -12.973 -15.626 -1.919 1.00 72.10 C ATOM 635 C GLU A 37 -13.082 -17.137 -2.137 1.00 21.01 C ATOM 636 O GLU A 37 -13.513 -17.867 -1.244 1.00 64.00 O ATOM 637 CB GLU A 37 -14.048 -14.878 -2.711 1.00 2.12 C ATOM 638 CG GLU A 37 -13.985 -15.239 -4.196 1.00 54.13 C ATOM 639 CD GLU A 37 -14.875 -14.310 -5.024 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.061 -14.609 -5.230 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.294 -13.245 -5.463 1.00 23.54 O ATOM 0 H GLU A 37 -11.510 -14.975 -3.269 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.138 -15.419 -0.862 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.033 -15.123 -2.315 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.914 -13.803 -2.588 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -12.955 -15.171 -4.547 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.302 -16.272 -4.337 1.00 54.13 H new ATOM 649 N LYS A 38 -12.687 -17.560 -3.329 1.00 32.50 N ATOM 650 CA LYS A 38 -12.735 -18.970 -3.674 1.00 70.13 C ATOM 651 C LYS A 38 -11.956 -19.774 -2.632 1.00 34.33 C ATOM 652 O LYS A 38 -12.411 -20.824 -2.185 1.00 61.34 O ATOM 653 CB LYS A 38 -12.248 -19.186 -5.109 1.00 31.21 C ATOM 654 CG LYS A 38 -12.926 -18.210 -6.072 1.00 30.31 C ATOM 655 CD LYS A 38 -12.908 -18.748 -7.503 1.00 62.11 C ATOM 656 CE LYS A 38 -13.116 -17.621 -8.516 1.00 24.23 C ATOM 657 NZ LYS A 38 -14.492 -17.082 -8.415 1.00 2.33 N ATOM 0 H LYS A 38 -12.333 -16.951 -4.067 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.763 -19.333 -3.652 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.167 -19.054 -5.153 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.457 -20.210 -5.417 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -13.955 -18.039 -5.757 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -12.418 -17.246 -6.036 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.957 -19.245 -7.696 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.690 -19.498 -7.623 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -12.393 -16.825 -8.337 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -12.938 -17.993 -9.525 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -14.617 -16.318 -9.109 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -15.177 -17.840 -8.608 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -14.649 -16.709 -7.457 1.00 2.33 H new ATOM 671 N SER A 39 -10.791 -19.250 -2.277 1.00 31.52 N ATOM 672 CA SER A 39 -9.943 -19.905 -1.296 1.00 23.13 C ATOM 673 C SER A 39 -10.798 -20.480 -0.165 1.00 61.22 C ATOM 674 O SER A 39 -11.925 -20.035 0.054 1.00 52.33 O ATOM 675 CB SER A 39 -8.901 -18.937 -0.734 1.00 23.31 C ATOM 676 OG SER A 39 -8.525 -19.272 0.599 1.00 4.43 O ATOM 0 H SER A 39 -10.415 -18.379 -2.652 1.00 31.52 H new ATOM 0 HA SER A 39 -9.413 -20.718 -1.792 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.018 -18.945 -1.373 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.300 -17.923 -0.754 1.00 23.31 H new ATOM 0 HG SER A 39 -7.614 -18.955 0.771 1.00 4.43 H new ATOM 682 N ASP A 40 -10.232 -21.459 0.524 1.00 65.12 N ATOM 683 CA ASP A 40 -10.929 -22.098 1.628 1.00 2.54 C ATOM 684 C ASP A 40 -10.188 -21.805 2.933 1.00 55.42 C ATOM 685 O ASP A 40 -10.617 -22.227 4.005 1.00 54.00 O ATOM 686 CB ASP A 40 -10.978 -23.616 1.442 1.00 11.34 C ATOM 687 CG ASP A 40 -11.979 -24.346 2.340 1.00 55.40 C ATOM 688 OD1 ASP A 40 -11.824 -24.386 3.570 1.00 20.22 O ATOM 689 OD2 ASP A 40 -12.967 -24.896 1.719 1.00 14.32 O ATOM 0 H ASP A 40 -9.298 -21.826 0.340 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.945 -21.705 1.658 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.222 -23.832 0.402 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -9.983 -24.022 1.627 1.00 11.34 H new ATOM 695 N ILE A 41 -9.085 -21.083 2.800 1.00 65.22 N ATOM 696 CA ILE A 41 -8.278 -20.727 3.955 1.00 75.43 C ATOM 697 C ILE A 41 -8.986 -19.626 4.746 1.00 34.44 C ATOM 698 O ILE A 41 -9.921 -19.001 4.248 1.00 24.44 O ATOM 699 CB ILE A 41 -6.857 -20.359 3.523 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.711 -18.846 3.351 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.452 -21.122 2.261 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.533 -18.510 2.434 1.00 2.30 C ATOM 0 H ILE A 41 -8.731 -20.735 1.909 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.171 -21.581 4.624 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.171 -20.660 4.314 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.630 -18.433 2.935 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.564 -18.378 4.324 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.438 -20.842 1.976 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.491 -22.194 2.456 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.138 -20.875 1.451 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.451 -17.428 2.328 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.612 -18.903 2.865 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.695 -18.959 1.454 1.00 2.30 H new ATOM 714 N PRO A 42 -8.500 -19.414 5.998 1.00 50.44 N ATOM 715 CA PRO A 42 -9.076 -18.399 6.863 1.00 24.42 C ATOM 716 C PRO A 42 -8.647 -16.997 6.424 1.00 24.50 C ATOM 717 O PRO A 42 -7.462 -16.744 6.216 1.00 43.12 O ATOM 718 CB PRO A 42 -8.597 -18.755 8.262 1.00 64.40 C ATOM 719 CG PRO A 42 -7.401 -19.674 8.071 1.00 30.21 C ATOM 720 CD PRO A 42 -7.393 -20.135 6.621 1.00 32.44 C ATOM 0 HA PRO A 42 -10.165 -18.381 6.822 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.317 -17.861 8.819 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.384 -19.251 8.830 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.475 -19.150 8.310 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.466 -20.530 8.743 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.445 -19.901 6.136 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.531 -21.214 6.547 1.00 32.44 H new ATOM 728 N GLU A 43 -9.636 -16.124 6.295 1.00 42.44 N ATOM 729 CA GLU A 43 -9.378 -14.755 5.884 1.00 50.22 C ATOM 730 C GLU A 43 -8.605 -14.010 6.975 1.00 11.31 C ATOM 731 O GLU A 43 -8.825 -14.240 8.163 1.00 21.42 O ATOM 732 CB GLU A 43 -10.680 -14.030 5.542 1.00 1.13 C ATOM 733 CG GLU A 43 -10.398 -12.666 4.907 1.00 32.10 C ATOM 734 CD GLU A 43 -11.433 -11.631 5.349 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.063 -10.534 5.795 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.663 -11.998 5.214 1.00 12.44 O ATOM 0 H GLU A 43 -10.618 -16.339 6.468 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.766 -14.776 4.982 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.270 -14.639 4.857 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.275 -13.898 6.446 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.400 -12.330 5.187 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.410 -12.757 3.821 1.00 32.10 H new ATOM 744 N ILE A 44 -7.716 -13.134 6.533 1.00 60.22 N ATOM 745 CA ILE A 44 -6.909 -12.354 7.457 1.00 23.32 C ATOM 746 C ILE A 44 -7.818 -11.408 8.245 1.00 4.52 C ATOM 747 O ILE A 44 -9.003 -11.279 7.940 1.00 3.42 O ATOM 748 CB ILE A 44 -5.778 -11.643 6.712 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.764 -11.050 7.693 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.331 -10.587 5.753 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.410 -10.828 7.015 1.00 33.21 C ATOM 0 H ILE A 44 -7.536 -12.946 5.547 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.421 -13.005 8.182 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.250 -12.381 6.108 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.140 -10.103 8.082 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.643 -11.719 8.545 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.506 -10.097 5.236 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.984 -11.065 5.022 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.898 -9.846 6.316 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.708 -10.406 7.734 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.026 -11.780 6.649 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.530 -10.140 6.179 1.00 33.21 H new ATOM 763 N ASP A 45 -7.226 -10.767 9.244 1.00 33.03 N ATOM 764 CA ASP A 45 -7.967 -9.837 10.077 1.00 71.14 C ATOM 765 C ASP A 45 -8.186 -8.532 9.308 1.00 0.43 C ATOM 766 O ASP A 45 -9.261 -7.937 9.379 1.00 74.13 O ATOM 767 CB ASP A 45 -7.194 -9.507 11.357 1.00 41.02 C ATOM 768 CG ASP A 45 -8.050 -9.396 12.620 1.00 61.43 C ATOM 769 OD1 ASP A 45 -7.577 -9.660 13.736 1.00 63.25 O ATOM 770 OD2 ASP A 45 -9.267 -9.020 12.423 1.00 2.34 O ATOM 0 H ASP A 45 -6.243 -10.874 9.494 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.917 -10.303 10.339 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.438 -10.276 11.515 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.665 -8.565 11.211 1.00 41.02 H new ATOM 776 N LYS A 46 -7.150 -8.126 8.589 1.00 54.04 N ATOM 777 CA LYS A 46 -7.216 -6.902 7.807 1.00 51.14 C ATOM 778 C LYS A 46 -6.240 -7.000 6.633 1.00 4.32 C ATOM 779 O LYS A 46 -5.319 -7.816 6.652 1.00 25.51 O ATOM 780 CB LYS A 46 -6.982 -5.682 8.700 1.00 35.22 C ATOM 781 CG LYS A 46 -5.975 -5.998 9.809 1.00 72.31 C ATOM 782 CD LYS A 46 -4.674 -6.552 9.226 1.00 10.44 C ATOM 783 CE LYS A 46 -3.474 -6.152 10.084 1.00 5.34 C ATOM 784 NZ LYS A 46 -3.864 -6.057 11.509 1.00 3.44 N ATOM 0 H LYS A 46 -6.261 -8.622 8.531 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.213 -6.773 7.385 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.616 -4.851 8.097 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.926 -5.364 9.141 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.765 -5.095 10.383 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.405 -6.722 10.500 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.734 -7.638 9.162 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.539 -6.180 8.210 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -2.676 -6.885 9.967 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.080 -5.194 9.744 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -3.052 -6.307 12.109 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -4.165 -5.085 11.722 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -4.649 -6.712 11.698 1.00 3.44 H new ATOM 798 N ARG A 47 -6.476 -6.158 5.638 1.00 22.33 N ATOM 799 CA ARG A 47 -5.630 -6.139 4.457 1.00 73.31 C ATOM 800 C ARG A 47 -4.643 -4.973 4.529 1.00 10.15 C ATOM 801 O ARG A 47 -4.987 -3.843 4.183 1.00 4.24 O ATOM 802 CB ARG A 47 -6.466 -6.013 3.182 1.00 1.04 C ATOM 803 CG ARG A 47 -7.229 -4.688 3.155 1.00 52.44 C ATOM 804 CD ARG A 47 -8.448 -4.774 2.235 1.00 32.42 C ATOM 805 NE ARG A 47 -8.166 -4.087 0.955 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.726 -4.425 -0.226 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.607 -5.447 -0.298 1.00 63.21 N ATOM 808 NH2 ARG A 47 -8.401 -3.742 -1.307 1.00 1.01 N ATOM 0 H ARG A 47 -7.241 -5.484 5.625 1.00 22.33 H new ATOM 0 HA ARG A 47 -5.082 -7.081 4.427 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.817 -6.081 2.309 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -7.170 -6.843 3.121 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.549 -4.428 4.164 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.568 -3.891 2.815 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.700 -5.818 2.049 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.312 -4.319 2.719 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.507 -3.309 0.966 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.853 -5.969 0.543 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -10.026 -5.697 -1.194 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -7.736 -2.972 -1.243 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -8.815 -3.984 -2.207 1.00 1.01 H new ATOM 822 N LYS A 48 -3.438 -5.286 4.980 1.00 32.22 N ATOM 823 CA LYS A 48 -2.399 -4.277 5.102 1.00 13.13 C ATOM 824 C LYS A 48 -1.045 -4.965 5.289 1.00 65.41 C ATOM 825 O LYS A 48 -0.889 -5.809 6.169 1.00 32.21 O ATOM 826 CB LYS A 48 -2.742 -3.285 6.216 1.00 2.52 C ATOM 827 CG LYS A 48 -1.629 -2.252 6.393 1.00 31.03 C ATOM 828 CD LYS A 48 -1.766 -1.116 5.377 1.00 5.15 C ATOM 829 CE LYS A 48 -0.402 -0.513 5.041 1.00 62.34 C ATOM 830 NZ LYS A 48 -0.436 0.960 5.186 1.00 61.43 N ATOM 0 H LYS A 48 -3.157 -6.224 5.266 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.334 -3.686 4.188 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.678 -2.779 5.981 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -2.896 -3.823 7.152 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.663 -1.846 7.404 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.659 -2.734 6.275 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -2.235 -1.491 4.468 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.421 -0.342 5.778 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.359 -0.932 5.699 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.122 -0.778 4.021 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 0.212 1.392 4.497 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -1.403 1.304 5.014 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -0.142 1.221 6.149 1.00 61.43 H new ATOM 844 N TYR A 49 -0.100 -4.578 4.443 1.00 55.14 N ATOM 845 CA TYR A 49 1.236 -5.148 4.504 1.00 61.12 C ATOM 846 C TYR A 49 2.266 -4.195 3.895 1.00 45.23 C ATOM 847 O TYR A 49 2.335 -4.047 2.676 1.00 72.34 O ATOM 848 CB TYR A 49 1.187 -6.427 3.669 1.00 0.44 C ATOM 849 CG TYR A 49 0.625 -7.638 4.417 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.738 -7.782 4.571 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.483 -8.585 4.938 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.267 -8.921 5.276 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.954 -9.725 5.644 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.395 -9.837 5.777 1.00 11.31 C ATOM 855 OH TYR A 49 -0.894 -10.913 6.443 1.00 30.03 O ATOM 0 H TYR A 49 -0.233 -3.878 3.713 1.00 55.14 H new ATOM 0 HA TYR A 49 1.527 -5.335 5.538 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.579 -6.247 2.782 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.194 -6.662 3.323 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.409 -7.040 4.163 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.550 -8.472 4.817 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.332 -9.045 5.404 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.614 -10.473 6.058 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.158 -11.414 6.853 1.00 30.03 H new ATOM 865 N LEU A 50 3.041 -3.574 4.772 1.00 74.33 N ATOM 866 CA LEU A 50 4.066 -2.639 4.335 1.00 43.30 C ATOM 867 C LEU A 50 5.402 -3.372 4.216 1.00 30.44 C ATOM 868 O LEU A 50 6.264 -3.242 5.086 1.00 14.21 O ATOM 869 CB LEU A 50 4.110 -1.422 5.262 1.00 73.54 C ATOM 870 CG LEU A 50 4.623 -0.122 4.638 1.00 22.24 C ATOM 871 CD1 LEU A 50 6.062 -0.283 4.142 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.685 0.363 3.531 1.00 4.24 C ATOM 0 H LEU A 50 2.981 -3.699 5.782 1.00 74.33 H new ATOM 0 HA LEU A 50 3.829 -2.248 3.345 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.105 -1.246 5.646 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.740 -1.664 6.118 1.00 73.54 H new ATOM 0 HG LEU A 50 4.633 0.647 5.410 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.403 0.655 3.703 1.00 24.21 H new ATOM 0 HD12 LEU A 50 6.708 -0.548 4.979 1.00 24.21 H new ATOM 0 HD13 LEU A 50 6.102 -1.071 3.390 1.00 24.21 H new ATOM 0 HD21 LEU A 50 4.073 1.288 3.105 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.619 -0.396 2.752 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.694 0.543 3.947 1.00 4.24 H new ATOM 884 N VAL A 51 5.534 -4.127 3.136 1.00 34.04 N ATOM 885 CA VAL A 51 6.753 -4.881 2.894 1.00 63.40 C ATOM 886 C VAL A 51 7.849 -3.929 2.411 1.00 40.31 C ATOM 887 O VAL A 51 7.567 -2.945 1.729 1.00 53.13 O ATOM 888 CB VAL A 51 6.476 -6.019 1.912 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.274 -6.854 2.364 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.269 -5.484 0.494 1.00 42.33 C ATOM 0 H VAL A 51 4.817 -4.233 2.418 1.00 34.04 H new ATOM 0 HA VAL A 51 7.106 -5.343 3.816 1.00 63.40 H new ATOM 0 HB VAL A 51 7.351 -6.669 1.900 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.099 -7.657 1.648 1.00 22.24 H new ATOM 0 HG12 VAL A 51 5.477 -7.282 3.346 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.390 -6.219 2.420 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.074 -6.315 -0.184 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.420 -4.800 0.483 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.165 -4.955 0.170 1.00 42.33 H new ATOM 900 N PRO A 52 9.110 -4.263 2.797 1.00 31.35 N ATOM 901 CA PRO A 52 10.251 -3.449 2.411 1.00 52.22 C ATOM 902 C PRO A 52 10.606 -3.665 0.938 1.00 45.42 C ATOM 903 O PRO A 52 9.922 -4.405 0.234 1.00 24.12 O ATOM 904 CB PRO A 52 11.366 -3.861 3.357 1.00 72.44 C ATOM 905 CG PRO A 52 10.953 -5.209 3.927 1.00 72.05 C ATOM 906 CD PRO A 52 9.482 -5.419 3.606 1.00 62.34 C ATOM 0 HA PRO A 52 10.052 -2.380 2.493 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.318 -3.935 2.830 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.497 -3.125 4.150 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.556 -6.007 3.495 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.116 -5.234 5.004 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.325 -6.350 3.062 1.00 62.34 H new ATOM 0 HD3 PRO A 52 8.883 -5.476 4.515 1.00 62.34 H new ATOM 914 N ALA A 53 11.674 -3.006 0.518 1.00 53.20 N ATOM 915 CA ALA A 53 12.129 -3.116 -0.858 1.00 13.10 C ATOM 916 C ALA A 53 13.171 -4.231 -0.958 1.00 64.41 C ATOM 917 O ALA A 53 13.934 -4.289 -1.921 1.00 65.24 O ATOM 918 CB ALA A 53 12.673 -1.766 -1.326 1.00 72.45 C ATOM 0 H ALA A 53 12.239 -2.393 1.106 1.00 53.20 H new ATOM 0 HA ALA A 53 11.301 -3.379 -1.516 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.014 -1.849 -2.358 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.886 -1.015 -1.263 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.508 -1.470 -0.691 1.00 72.45 H new ATOM 924 N ASP A 54 13.172 -5.090 0.051 1.00 11.31 N ATOM 925 CA ASP A 54 14.108 -6.200 0.089 1.00 24.43 C ATOM 926 C ASP A 54 13.331 -7.516 0.143 1.00 24.43 C ATOM 927 O ASP A 54 13.718 -8.498 -0.490 1.00 72.41 O ATOM 928 CB ASP A 54 15.000 -6.126 1.330 1.00 32.13 C ATOM 929 CG ASP A 54 16.161 -7.123 1.352 1.00 4.14 C ATOM 930 OD1 ASP A 54 17.138 -6.981 0.602 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.033 -8.090 2.195 1.00 61.44 O ATOM 0 H ASP A 54 12.539 -5.039 0.849 1.00 11.31 H new ATOM 0 HA ASP A 54 14.729 -6.148 -0.805 1.00 24.43 H new ATOM 0 HB2 ASP A 54 15.406 -5.117 1.408 1.00 32.13 H new ATOM 0 HB3 ASP A 54 14.383 -6.291 2.213 1.00 32.13 H new ATOM 937 N LEU A 55 12.247 -7.495 0.906 1.00 53.33 N ATOM 938 CA LEU A 55 11.412 -8.674 1.050 1.00 33.10 C ATOM 939 C LEU A 55 10.902 -9.107 -0.327 1.00 55.22 C ATOM 940 O LEU A 55 10.406 -8.284 -1.095 1.00 73.35 O ATOM 941 CB LEU A 55 10.297 -8.420 2.066 1.00 22.25 C ATOM 942 CG LEU A 55 9.746 -9.656 2.782 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.090 -10.933 2.015 1.00 33.21 C ATOM 944 CD2 LEU A 55 10.231 -9.710 4.233 1.00 41.11 C ATOM 0 H LEU A 55 11.929 -6.680 1.430 1.00 53.33 H new ATOM 0 HA LEU A 55 11.994 -9.505 1.450 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.670 -7.725 2.818 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.473 -7.924 1.554 1.00 22.25 H new ATOM 0 HG LEU A 55 8.659 -9.580 2.808 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.687 -11.796 2.545 1.00 33.21 H new ATOM 0 HD12 LEU A 55 9.656 -10.886 1.016 1.00 33.21 H new ATOM 0 HD13 LEU A 55 11.173 -11.029 1.936 1.00 33.21 H new ATOM 0 HD21 LEU A 55 9.826 -10.597 4.719 1.00 41.11 H new ATOM 0 HD22 LEU A 55 11.320 -9.752 4.251 1.00 41.11 H new ATOM 0 HD23 LEU A 55 9.893 -8.819 4.763 1.00 41.11 H new ATOM 956 N THR A 56 11.043 -10.396 -0.597 1.00 33.54 N ATOM 957 CA THR A 56 10.603 -10.946 -1.867 1.00 20.24 C ATOM 958 C THR A 56 9.201 -11.543 -1.734 1.00 22.22 C ATOM 959 O THR A 56 8.526 -11.332 -0.727 1.00 33.44 O ATOM 960 CB THR A 56 11.651 -11.959 -2.332 1.00 3.12 C ATOM 961 OG1 THR A 56 11.092 -13.223 -1.982 1.00 4.55 O ATOM 962 CG2 THR A 56 12.942 -11.885 -1.513 1.00 24.15 C ATOM 0 H THR A 56 11.456 -11.075 0.042 1.00 33.54 H new ATOM 0 HA THR A 56 10.521 -10.168 -2.626 1.00 20.24 H new ATOM 0 HB THR A 56 11.878 -11.788 -3.384 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.004 -13.776 -2.786 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.651 -12.625 -1.884 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.375 -10.889 -1.605 1.00 24.15 H new ATOM 0 HG23 THR A 56 12.720 -12.089 -0.465 1.00 24.15 H new ATOM 970 N VAL A 57 8.803 -12.274 -2.764 1.00 60.44 N ATOM 971 CA VAL A 57 7.492 -12.901 -2.775 1.00 24.01 C ATOM 972 C VAL A 57 7.523 -14.153 -1.896 1.00 24.23 C ATOM 973 O VAL A 57 6.811 -14.232 -0.896 1.00 23.23 O ATOM 974 CB VAL A 57 7.062 -13.192 -4.215 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.047 -14.335 -4.263 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.505 -11.934 -4.885 1.00 3.30 C ATOM 0 H VAL A 57 9.365 -12.446 -3.597 1.00 60.44 H new ATOM 0 HA VAL A 57 6.744 -12.228 -2.357 1.00 24.01 H new ATOM 0 HB VAL A 57 7.945 -13.505 -4.772 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.758 -14.522 -5.297 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.494 -15.236 -3.843 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.165 -14.063 -3.683 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.207 -12.168 -5.907 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.639 -11.578 -4.327 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.272 -11.159 -4.899 1.00 3.30 H new ATOM 986 N GLY A 58 8.357 -15.101 -2.300 1.00 11.12 N ATOM 987 CA GLY A 58 8.491 -16.345 -1.563 1.00 42.23 C ATOM 988 C GLY A 58 8.809 -16.077 -0.090 1.00 73.23 C ATOM 989 O GLY A 58 8.622 -16.949 0.758 1.00 60.02 O ATOM 0 H GLY A 58 8.947 -15.031 -3.129 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.568 -16.920 -1.641 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.282 -16.951 -2.005 1.00 42.23 H new ATOM 993 N GLN A 59 9.283 -14.868 0.169 1.00 64.11 N ATOM 994 CA GLN A 59 9.628 -14.474 1.525 1.00 61.51 C ATOM 995 C GLN A 59 8.463 -13.725 2.174 1.00 64.21 C ATOM 996 O GLN A 59 8.316 -13.738 3.395 1.00 44.31 O ATOM 997 CB GLN A 59 10.902 -13.628 1.542 1.00 30.41 C ATOM 998 CG GLN A 59 12.126 -14.469 1.174 1.00 65.32 C ATOM 999 CD GLN A 59 13.422 -13.715 1.475 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.600 -13.133 2.531 1.00 74.53 O ATOM 1001 NE2 GLN A 59 14.315 -13.756 0.488 1.00 1.14 N ATOM 0 H GLN A 59 9.437 -14.148 -0.537 1.00 64.11 H new ATOM 0 HA GLN A 59 9.822 -15.376 2.106 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.802 -12.800 0.841 1.00 30.41 H new ATOM 0 HB3 GLN A 59 11.040 -13.193 2.532 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.109 -15.406 1.731 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.089 -14.727 0.116 1.00 65.32 H new ATOM 0 HE21 GLN A 59 14.102 -14.262 -0.372 1.00 1.14 H new ATOM 0 HE22 GLN A 59 15.212 -13.281 0.592 1.00 1.14 H new ATOM 1010 N PHE A 60 7.665 -13.090 1.328 1.00 0.21 N ATOM 1011 CA PHE A 60 6.518 -12.337 1.803 1.00 52.15 C ATOM 1012 C PHE A 60 5.435 -13.271 2.347 1.00 43.15 C ATOM 1013 O PHE A 60 4.764 -12.946 3.326 1.00 50.40 O ATOM 1014 CB PHE A 60 5.958 -11.570 0.604 1.00 50.40 C ATOM 1015 CG PHE A 60 4.629 -10.864 0.882 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.596 -9.767 1.683 1.00 61.34 C ATOM 1017 CD2 PHE A 60 3.480 -11.335 0.326 1.00 51.21 C ATOM 1018 CE1 PHE A 60 3.361 -9.112 1.941 1.00 62.21 C ATOM 1019 CE2 PHE A 60 2.246 -10.682 0.583 1.00 1.22 C ATOM 1020 CZ PHE A 60 2.214 -9.583 1.386 1.00 23.01 C ATOM 0 H PHE A 60 7.791 -13.082 0.316 1.00 0.21 H new ATOM 0 HA PHE A 60 6.821 -11.668 2.608 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.691 -10.829 0.285 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.823 -12.263 -0.226 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.508 -9.393 2.124 1.00 61.34 H new ATOM 0 HD2 PHE A 60 3.507 -12.206 -0.311 1.00 51.21 H new ATOM 0 HE1 PHE A 60 3.335 -8.240 2.578 1.00 62.21 H new ATOM 0 HE2 PHE A 60 1.334 -11.056 0.142 1.00 1.22 H new ATOM 0 HZ PHE A 60 1.276 -9.085 1.582 1.00 23.01 H new ATOM 1030 N VAL A 61 5.299 -14.413 1.688 1.00 32.35 N ATOM 1031 CA VAL A 61 4.309 -15.396 2.092 1.00 5.44 C ATOM 1032 C VAL A 61 4.505 -15.733 3.573 1.00 71.34 C ATOM 1033 O VAL A 61 3.545 -15.752 4.341 1.00 5.54 O ATOM 1034 CB VAL A 61 4.391 -16.625 1.184 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.519 -17.763 1.720 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.006 -16.270 -0.254 1.00 73.01 C ATOM 0 H VAL A 61 5.858 -14.679 0.877 1.00 32.35 H new ATOM 0 HA VAL A 61 3.303 -14.992 1.981 1.00 5.44 H new ATOM 0 HB VAL A 61 5.425 -16.970 1.179 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.596 -18.624 1.056 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.858 -18.043 2.717 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.481 -17.434 1.769 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.072 -17.161 -0.879 1.00 73.01 H new ATOM 0 HG22 VAL A 61 2.985 -15.888 -0.274 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.686 -15.508 -0.635 1.00 73.01 H new ATOM 1046 N TYR A 62 5.757 -15.988 3.926 1.00 14.20 N ATOM 1047 CA TYR A 62 6.092 -16.323 5.300 1.00 74.54 C ATOM 1048 C TYR A 62 5.353 -15.411 6.282 1.00 34.14 C ATOM 1049 O TYR A 62 5.059 -15.812 7.407 1.00 35.32 O ATOM 1050 CB TYR A 62 7.596 -16.086 5.437 1.00 44.14 C ATOM 1051 CG TYR A 62 8.011 -15.479 6.778 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.581 -16.052 7.958 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.817 -14.358 6.809 1.00 62.34 C ATOM 1054 CE1 TYR A 62 7.972 -15.480 9.220 1.00 24.10 C ATOM 1055 CE2 TYR A 62 9.207 -13.786 8.072 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.766 -14.376 9.215 1.00 2.21 C ATOM 1057 OH TYR A 62 9.135 -13.837 10.408 1.00 63.13 O ATOM 0 H TYR A 62 6.550 -15.969 3.285 1.00 14.20 H new ATOM 0 HA TYR A 62 5.809 -17.351 5.524 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.116 -17.034 5.303 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.924 -15.426 4.634 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.951 -16.929 7.934 1.00 22.21 H new ATOM 0 HD2 TYR A 62 9.155 -13.910 5.886 1.00 62.34 H new ATOM 0 HE1 TYR A 62 7.642 -15.918 10.150 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.835 -12.908 8.110 1.00 24.35 H new ATOM 0 HH TYR A 62 9.702 -13.053 10.251 1.00 63.13 H new ATOM 1067 N VAL A 63 5.072 -14.202 5.821 1.00 52.24 N ATOM 1068 CA VAL A 63 4.373 -13.229 6.645 1.00 35.03 C ATOM 1069 C VAL A 63 2.872 -13.525 6.611 1.00 4.02 C ATOM 1070 O VAL A 63 2.208 -13.504 7.646 1.00 23.34 O ATOM 1071 CB VAL A 63 4.715 -11.811 6.184 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.854 -10.776 6.912 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.204 -11.517 6.372 1.00 44.31 C ATOM 0 H VAL A 63 5.315 -13.873 4.887 1.00 52.24 H new ATOM 0 HA VAL A 63 4.696 -13.304 7.683 1.00 35.03 H new ATOM 0 HB VAL A 63 4.493 -11.742 5.119 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.117 -9.776 6.566 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.801 -10.967 6.704 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.030 -10.847 7.985 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.420 -10.503 6.036 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.464 -11.613 7.426 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.791 -12.225 5.787 1.00 44.31 H new ATOM 1083 N ILE A 64 2.381 -13.791 5.409 1.00 25.51 N ATOM 1084 CA ILE A 64 0.970 -14.090 5.227 1.00 30.30 C ATOM 1085 C ILE A 64 0.618 -15.357 6.005 1.00 3.31 C ATOM 1086 O ILE A 64 -0.509 -15.508 6.477 1.00 53.34 O ATOM 1087 CB ILE A 64 0.627 -14.167 3.738 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.241 -12.993 2.972 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.885 -14.260 3.527 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.000 -11.672 3.707 1.00 35.01 C ATOM 0 H ILE A 64 2.934 -13.806 4.552 1.00 25.51 H new ATOM 0 HA ILE A 64 0.355 -13.286 5.631 1.00 30.30 H new ATOM 0 HB ILE A 64 1.065 -15.080 3.334 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.312 -13.155 2.849 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.810 -12.941 1.972 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.101 -14.313 2.460 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.267 -15.154 4.020 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.366 -13.379 3.951 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.446 -10.854 3.141 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.072 -11.501 3.807 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.454 -11.718 4.697 1.00 35.01 H new ATOM 1102 N ARG A 65 1.601 -16.239 6.117 1.00 63.25 N ATOM 1103 CA ARG A 65 1.408 -17.489 6.831 1.00 61.31 C ATOM 1104 C ARG A 65 1.581 -17.274 8.337 1.00 12.01 C ATOM 1105 O ARG A 65 1.348 -18.185 9.129 1.00 41.52 O ATOM 1106 CB ARG A 65 2.401 -18.552 6.358 1.00 31.34 C ATOM 1107 CG ARG A 65 1.907 -19.958 6.706 1.00 61.42 C ATOM 1108 CD ARG A 65 1.152 -20.580 5.529 1.00 12.15 C ATOM 1109 NE ARG A 65 1.948 -20.446 4.289 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.861 -21.347 3.875 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.104 -22.460 4.599 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.516 -21.126 2.750 1.00 34.13 N ATOM 0 H ARG A 65 2.534 -16.112 5.725 1.00 63.25 H new ATOM 0 HA ARG A 65 0.395 -17.835 6.624 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.542 -18.469 5.280 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.372 -18.379 6.821 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.754 -20.589 6.974 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.255 -19.913 7.578 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.952 -21.632 5.730 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.186 -20.090 5.406 1.00 12.15 H new ATOM 0 HE ARG A 65 1.796 -19.619 3.711 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.595 -22.625 5.467 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.797 -23.136 4.278 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.328 -20.283 2.208 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.210 -21.798 2.423 1.00 34.13 H new ATOM 1126 N LYS A 66 1.988 -16.062 8.685 1.00 55.44 N ATOM 1127 CA LYS A 66 2.195 -15.715 10.081 1.00 1.33 C ATOM 1128 C LYS A 66 0.872 -15.242 10.686 1.00 70.51 C ATOM 1129 O LYS A 66 0.514 -15.639 11.794 1.00 24.42 O ATOM 1130 CB LYS A 66 3.331 -14.701 10.219 1.00 12.24 C ATOM 1131 CG LYS A 66 4.613 -15.375 10.715 1.00 14.13 C ATOM 1132 CD LYS A 66 5.440 -14.417 11.573 1.00 31.51 C ATOM 1133 CE LYS A 66 5.934 -13.228 10.744 1.00 71.45 C ATOM 1134 NZ LYS A 66 6.961 -12.468 11.490 1.00 62.23 N ATOM 0 H LYS A 66 2.180 -15.308 8.025 1.00 55.44 H new ATOM 0 HA LYS A 66 2.511 -16.591 10.648 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.516 -14.224 9.257 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.038 -13.914 10.914 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.360 -16.262 11.295 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.205 -15.709 9.863 1.00 14.13 H new ATOM 0 HD2 LYS A 66 4.838 -14.058 12.408 1.00 31.51 H new ATOM 0 HD3 LYS A 66 6.292 -14.947 11.999 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.349 -13.582 9.800 1.00 71.45 H new ATOM 0 HE3 LYS A 66 5.096 -12.575 10.499 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.868 -11.455 11.274 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 6.830 -12.618 12.511 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 7.907 -12.796 11.210 1.00 62.23 H new ATOM 1148 N ARG A 67 0.181 -14.399 9.932 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.095 -13.867 10.380 1.00 11.04 C ATOM 1150 C ARG A 67 -2.072 -15.008 10.675 1.00 10.11 C ATOM 1151 O ARG A 67 -2.482 -15.200 11.818 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.706 -12.941 9.327 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.274 -11.491 9.556 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.255 -10.765 10.477 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.941 -11.069 11.891 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.945 -10.482 12.590 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.157 -9.554 12.008 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.755 -10.831 13.848 1.00 2.44 N ATOM 0 H ARG A 67 0.481 -14.071 9.014 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.914 -13.294 11.290 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.399 -13.263 8.332 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.793 -13.010 9.363 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.276 -11.470 9.993 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.214 -10.971 8.600 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.199 -9.690 10.306 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.276 -11.071 10.249 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.513 -11.766 12.368 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.312 -9.292 11.034 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.593 -9.115 12.542 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.356 -11.534 14.278 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.008 -10.398 14.390 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.416 -15.735 9.621 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.336 -16.852 9.752 1.00 51.02 C ATOM 1174 C ILE A 68 -2.628 -18.012 10.455 1.00 1.12 C ATOM 1175 O ILE A 68 -3.250 -19.029 10.763 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.924 -17.225 8.389 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.829 -17.296 7.322 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.047 -16.264 7.995 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.264 -18.180 6.150 1.00 64.50 C ATOM 0 H ILE A 68 -2.074 -15.572 8.674 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.186 -16.574 10.375 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.364 -18.219 8.466 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.602 -16.293 6.961 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.913 -17.692 7.761 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.447 -16.551 7.023 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.840 -16.306 8.741 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.654 -15.249 7.940 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.469 -18.214 5.405 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.467 -19.188 6.511 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.166 -17.768 5.698 1.00 64.50 H new ATOM 1191 N MET A 69 -1.337 -17.822 10.688 1.00 12.12 N ATOM 1192 CA MET A 69 -0.539 -18.839 11.348 1.00 64.34 C ATOM 1193 C MET A 69 -0.872 -20.233 10.811 1.00 52.33 C ATOM 1194 O MET A 69 -1.021 -21.180 11.581 1.00 32.01 O ATOM 1195 CB MET A 69 -0.802 -18.797 12.855 1.00 12.53 C ATOM 1196 CG MET A 69 -2.264 -19.123 13.165 1.00 10.21 C ATOM 1197 SD MET A 69 -2.471 -19.394 14.918 1.00 12.40 S ATOM 1198 CE MET A 69 -3.609 -18.075 15.303 1.00 45.12 C ATOM 0 H MET A 69 -0.825 -16.978 10.431 1.00 12.12 H new ATOM 0 HA MET A 69 0.513 -18.634 11.147 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.151 -19.510 13.361 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.556 -17.809 13.243 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.905 -18.305 12.837 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.572 -20.011 12.613 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.847 -18.098 16.367 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.153 -17.117 15.054 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.524 -18.203 14.724 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.978 -20.314 9.492 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.291 -21.575 8.842 1.00 10.14 C ATOM 1210 C LEU A 70 -0.136 -22.554 9.058 1.00 2.25 C ATOM 1211 O LEU A 70 1.030 -22.166 9.008 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.637 -21.348 7.370 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.795 -22.180 6.817 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.986 -22.171 7.778 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.187 -21.712 5.414 1.00 2.24 C ATOM 0 H LEU A 70 -0.853 -19.526 8.856 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.179 -22.024 9.288 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.875 -20.293 7.232 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.749 -21.555 6.773 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.460 -23.214 6.729 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.795 -22.770 7.360 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.682 -22.590 8.737 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.330 -21.147 7.922 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -4.012 -22.321 5.045 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.495 -20.667 5.452 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.333 -21.814 4.744 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.509 -23.840 9.299 1.00 43.24 N ATOM 1228 CA PRO A 71 0.482 -24.878 9.523 1.00 13.55 C ATOM 1229 C PRO A 71 1.157 -25.284 8.210 1.00 75.31 C ATOM 1230 O PRO A 71 0.735 -24.862 7.136 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.282 -26.019 10.175 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.750 -25.765 9.870 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.880 -24.337 9.365 1.00 33.31 C ATOM 0 HA PRO A 71 1.300 -24.547 10.163 1.00 13.55 H new ATOM 0 HB2 PRO A 71 0.039 -26.982 9.777 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.105 -26.044 11.250 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.112 -26.469 9.121 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.357 -25.911 10.764 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.360 -24.305 8.387 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.488 -23.733 10.038 1.00 33.31 H new ATOM 1241 N PRO A 72 2.222 -26.119 8.346 1.00 11.43 N ATOM 1242 CA PRO A 72 2.958 -26.588 7.184 1.00 73.31 C ATOM 1243 C PRO A 72 2.169 -27.659 6.429 1.00 14.34 C ATOM 1244 O PRO A 72 2.621 -28.156 5.398 1.00 14.13 O ATOM 1245 CB PRO A 72 4.278 -27.099 7.736 1.00 1.11 C ATOM 1246 CG PRO A 72 4.048 -27.331 9.220 1.00 12.50 C ATOM 1247 CD PRO A 72 2.750 -26.639 9.604 1.00 2.00 C ATOM 0 HA PRO A 72 3.127 -25.802 6.447 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.578 -28.021 7.239 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.076 -26.375 7.573 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.990 -28.398 9.435 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.879 -26.933 9.802 1.00 12.50 H new ATOM 0 HD2 PRO A 72 2.052 -27.336 10.069 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.926 -25.837 10.321 1.00 2.00 H new ATOM 1255 N GLU A 73 1.004 -27.982 6.970 1.00 4.32 N ATOM 1256 CA GLU A 73 0.147 -28.984 6.360 1.00 33.04 C ATOM 1257 C GLU A 73 -0.755 -28.341 5.305 1.00 15.04 C ATOM 1258 O GLU A 73 -1.582 -29.018 4.695 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.681 -29.715 7.419 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.697 -28.773 8.067 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.932 -29.541 8.543 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.706 -30.043 7.716 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.073 -29.606 9.824 1.00 11.00 O ATOM 0 H GLU A 73 0.633 -27.567 7.825 1.00 4.32 H new ATOM 0 HA GLU A 73 0.779 -29.723 5.867 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.201 -30.557 6.962 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.021 -30.125 8.183 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.236 -28.260 8.911 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -1.995 -28.006 7.352 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.564 -27.043 5.121 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.350 -26.301 4.151 1.00 74.24 C ATOM 1273 C LYS A 74 -0.409 -25.576 3.185 1.00 4.24 C ATOM 1274 O LYS A 74 0.811 -25.691 3.298 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.338 -25.373 4.858 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.326 -26.171 5.711 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.673 -25.450 5.812 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.808 -26.441 6.080 1.00 43.12 C ATOM 1279 NZ LYS A 74 -5.989 -26.639 7.535 1.00 72.20 N ATOM 0 H LYS A 74 0.124 -26.486 5.628 1.00 15.22 H new ATOM 0 HA LYS A 74 -1.958 -26.981 3.555 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.794 -24.669 5.488 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.882 -24.785 4.119 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.471 -27.160 5.276 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -2.913 -26.319 6.709 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -4.635 -24.711 6.612 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.870 -24.908 4.887 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.734 -26.071 5.639 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.586 -27.395 5.602 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.763 -27.314 7.700 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -5.110 -27.013 7.947 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.222 -25.730 7.983 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.011 -24.848 2.258 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.243 -24.105 1.273 1.00 13.52 C ATOM 1295 C ALA A 75 -0.893 -22.738 1.051 1.00 54.01 C ATOM 1296 O ALA A 75 -2.104 -22.590 1.207 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.143 -24.921 -0.017 1.00 3.35 C ATOM 0 H ALA A 75 -2.023 -24.756 2.167 1.00 2.43 H new ATOM 0 HA ALA A 75 0.773 -23.932 1.628 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.433 -24.364 -0.756 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.353 -25.869 0.190 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.143 -25.112 -0.405 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.060 -21.773 0.690 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.538 -20.423 0.445 1.00 65.33 C ATOM 1305 C ILE A 76 0.209 -19.833 -0.753 1.00 4.31 C ATOM 1306 O ILE A 76 1.432 -19.710 -0.729 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.429 -19.577 1.715 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.654 -18.675 1.879 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.877 -18.780 1.733 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.551 -17.840 3.156 1.00 43.42 C ATOM 0 H ILE A 76 0.944 -21.900 0.561 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.597 -20.434 0.188 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.407 -20.249 2.573 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.743 -18.016 1.015 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.557 -19.284 1.910 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.929 -18.187 2.646 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.723 -19.467 1.697 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.911 -18.117 0.868 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.434 -17.207 3.249 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.486 -18.502 4.019 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.660 -17.214 3.111 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.560 -19.483 -1.774 1.00 12.42 N ATOM 1323 CA PHE A 77 0.013 -18.908 -2.979 1.00 62.30 C ATOM 1324 C PHE A 77 -0.464 -17.468 -3.180 1.00 33.33 C ATOM 1325 O PHE A 77 -1.649 -17.175 -3.026 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.471 -19.759 -4.155 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.125 -21.245 -4.029 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.089 -21.698 -4.442 1.00 44.34 C ATOM 1329 CD2 PHE A 77 -1.031 -22.112 -3.506 1.00 4.54 C ATOM 1330 CE1 PHE A 77 1.410 -23.076 -4.327 1.00 41.05 C ATOM 1331 CE2 PHE A 77 -0.710 -23.491 -3.389 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.503 -23.944 -3.802 1.00 35.23 C ATOM 0 H PHE A 77 -1.575 -19.587 -1.791 1.00 12.42 H new ATOM 0 HA PHE A 77 1.100 -18.896 -2.904 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.552 -19.654 -4.246 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.035 -19.371 -5.075 1.00 40.44 H new ATOM 0 HD1 PHE A 77 1.809 -21.009 -4.858 1.00 44.34 H new ATOM 0 HD2 PHE A 77 -1.996 -21.753 -3.179 1.00 4.54 H new ATOM 0 HE1 PHE A 77 2.374 -23.435 -4.656 1.00 41.05 H new ATOM 0 HE2 PHE A 77 -1.430 -24.179 -2.972 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.747 -24.992 -3.714 1.00 35.23 H new ATOM 1342 N ILE A 78 0.484 -16.606 -3.520 1.00 3.55 N ATOM 1343 CA ILE A 78 0.177 -15.204 -3.743 1.00 70.04 C ATOM 1344 C ILE A 78 -0.311 -15.015 -5.181 1.00 63.43 C ATOM 1345 O ILE A 78 0.251 -15.591 -6.111 1.00 62.34 O ATOM 1346 CB ILE A 78 1.377 -14.329 -3.380 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.959 -14.727 -2.023 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.008 -12.844 -3.431 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.233 -14.010 -0.883 1.00 44.32 C ATOM 0 H ILE A 78 1.466 -16.853 -3.646 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.632 -14.882 -3.087 1.00 70.04 H new ATOM 0 HB ILE A 78 2.156 -14.495 -4.124 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.876 -15.806 -1.890 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.021 -14.483 -1.993 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.879 -12.243 -3.169 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.679 -12.585 -4.437 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.203 -12.645 -2.723 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.667 -14.311 0.071 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.338 -12.932 -1.006 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.176 -14.275 -0.901 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.353 -14.208 -5.318 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.922 -13.938 -6.626 1.00 2.04 C ATOM 1363 C PHE A 79 -2.051 -12.431 -6.867 1.00 53.42 C ATOM 1364 O PHE A 79 -2.722 -11.733 -6.109 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.317 -14.566 -6.647 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.361 -15.964 -7.265 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.065 -16.134 -8.582 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.696 -17.037 -6.498 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -3.106 -17.432 -9.156 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.737 -18.335 -7.073 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.441 -18.505 -8.390 1.00 62.01 C ATOM 0 H PHE A 79 -1.817 -13.733 -4.544 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.279 -14.351 -7.403 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.696 -14.619 -5.626 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.990 -13.913 -7.203 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.799 -15.282 -9.190 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.931 -16.902 -5.453 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.871 -17.567 -10.201 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -4.003 -19.187 -6.465 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.472 -19.492 -8.827 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.397 -11.977 -7.926 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.429 -10.567 -8.276 1.00 62.12 C ATOM 1383 C VAL A 80 -1.959 -10.412 -9.703 1.00 53.14 C ATOM 1384 O VAL A 80 -1.275 -10.763 -10.664 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.044 -9.946 -8.082 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.135 -8.424 -7.977 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.655 -10.540 -6.858 1.00 72.24 C ATOM 0 H VAL A 80 -0.842 -12.560 -8.553 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.107 -10.026 -7.616 1.00 62.12 H new ATOM 0 HB VAL A 80 0.556 -10.185 -8.960 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.863 -8.008 -7.840 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.573 -8.022 -8.891 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.760 -8.155 -7.126 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.637 -10.082 -6.742 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.057 -10.346 -5.968 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.770 -11.616 -6.991 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.172 -9.887 -9.797 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.800 -9.681 -11.091 1.00 42.34 C ATOM 1399 C ASN A 81 -4.191 -11.037 -11.683 1.00 23.52 C ATOM 1400 O ASN A 81 -4.397 -11.154 -12.891 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.842 -8.996 -12.067 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.963 -7.975 -11.344 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.396 -6.897 -10.973 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.705 -8.372 -11.167 1.00 23.44 N ATOM 0 H ASN A 81 -3.737 -9.598 -8.998 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.676 -9.049 -10.944 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.214 -9.744 -12.551 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.411 -8.500 -12.853 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.039 -7.760 -10.696 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.407 -9.288 -11.502 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.282 -12.027 -10.807 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.645 -13.368 -11.230 1.00 23.32 C ATOM 1413 C ASP A 82 -3.403 -14.079 -11.775 1.00 11.03 C ATOM 1414 O ASP A 82 -3.515 -15.004 -12.579 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.695 -13.333 -12.340 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.737 -12.220 -12.208 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.078 -11.793 -11.095 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.214 -11.783 -13.324 1.00 63.05 O ATOM 0 H ASP A 82 -4.111 -11.927 -9.807 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.053 -13.894 -10.367 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.186 -13.222 -13.298 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.211 -14.293 -12.362 1.00 70.50 H new ATOM 1424 N THR A 83 -2.249 -13.620 -11.317 1.00 42.44 N ATOM 1425 CA THR A 83 -0.988 -14.200 -11.749 1.00 61.11 C ATOM 1426 C THR A 83 -0.079 -14.457 -10.545 1.00 21.15 C ATOM 1427 O THR A 83 0.051 -13.605 -9.669 1.00 74.25 O ATOM 1428 CB THR A 83 -0.370 -13.265 -12.790 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.350 -14.138 -13.656 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.709 -12.358 -12.195 1.00 30.14 C ATOM 0 H THR A 83 -2.160 -12.853 -10.651 1.00 42.44 H new ATOM 0 HA THR A 83 -1.139 -15.174 -12.215 1.00 61.11 H new ATOM 0 HB THR A 83 -1.153 -12.653 -13.238 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.782 -13.615 -14.363 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.115 -11.715 -12.976 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.273 -11.743 -11.408 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.508 -12.970 -11.777 1.00 30.14 H new ATOM 1438 N LEU A 84 0.528 -15.634 -10.543 1.00 12.33 N ATOM 1439 CA LEU A 84 1.422 -16.014 -9.462 1.00 64.22 C ATOM 1440 C LEU A 84 2.852 -15.609 -9.824 1.00 22.45 C ATOM 1441 O LEU A 84 3.448 -16.171 -10.743 1.00 1.12 O ATOM 1442 CB LEU A 84 1.268 -17.499 -9.136 1.00 62.51 C ATOM 1443 CG LEU A 84 1.131 -17.850 -7.653 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.340 -17.909 -7.237 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.869 -19.149 -7.325 1.00 5.15 C ATOM 0 H LEU A 84 0.419 -16.338 -11.273 1.00 12.33 H new ATOM 0 HA LEU A 84 1.161 -15.483 -8.547 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.390 -17.877 -9.661 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.132 -18.030 -9.536 1.00 62.51 H new ATOM 0 HG LEU A 84 1.600 -17.057 -7.071 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.409 -18.160 -6.179 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.806 -16.939 -7.411 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.854 -18.670 -7.825 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.755 -19.374 -6.265 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.451 -19.964 -7.916 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.927 -19.036 -7.560 1.00 5.15 H new ATOM 1457 N PRO A 85 3.378 -14.613 -9.061 1.00 73.14 N ATOM 1458 CA PRO A 85 4.728 -14.126 -9.292 1.00 54.01 C ATOM 1459 C PRO A 85 5.765 -15.121 -8.768 1.00 31.32 C ATOM 1460 O PRO A 85 5.429 -16.048 -8.034 1.00 23.50 O ATOM 1461 CB PRO A 85 4.786 -12.780 -8.587 1.00 13.52 C ATOM 1462 CG PRO A 85 3.628 -12.774 -7.603 1.00 42.32 C ATOM 1463 CD PRO A 85 2.703 -13.924 -7.965 1.00 13.01 C ATOM 0 HA PRO A 85 4.961 -14.016 -10.351 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.737 -12.650 -8.071 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.696 -11.961 -9.301 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.994 -12.885 -6.582 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.093 -11.825 -7.648 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.547 -14.589 -7.116 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.721 -13.561 -8.270 1.00 13.01 H new ATOM 1471 N PRO A 86 7.041 -14.889 -9.178 1.00 12.01 N ATOM 1472 CA PRO A 86 8.132 -15.752 -8.757 1.00 0.14 C ATOM 1473 C PRO A 86 8.513 -15.486 -7.301 1.00 13.22 C ATOM 1474 O PRO A 86 7.793 -14.791 -6.583 1.00 70.44 O ATOM 1475 CB PRO A 86 9.262 -15.462 -9.731 1.00 21.33 C ATOM 1476 CG PRO A 86 8.931 -14.121 -10.366 1.00 1.45 C ATOM 1477 CD PRO A 86 7.480 -13.801 -10.047 1.00 12.41 C ATOM 0 HA PRO A 86 7.865 -16.809 -8.781 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.222 -15.424 -9.216 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.337 -16.244 -10.487 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.588 -13.342 -9.978 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.085 -14.161 -11.444 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.388 -12.836 -9.549 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.877 -13.751 -10.954 1.00 12.41 H new ATOM 1485 N THR A 87 9.644 -16.052 -6.905 1.00 44.33 N ATOM 1486 CA THR A 87 10.131 -15.882 -5.546 1.00 62.41 C ATOM 1487 C THR A 87 11.170 -14.761 -5.487 1.00 30.31 C ATOM 1488 O THR A 87 11.241 -14.027 -4.502 1.00 14.22 O ATOM 1489 CB THR A 87 10.665 -17.233 -5.065 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.980 -17.300 -5.610 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.935 -18.414 -5.706 1.00 50.43 C ATOM 0 H THR A 87 10.237 -16.629 -7.501 1.00 44.33 H new ATOM 0 HA THR A 87 9.330 -15.574 -4.874 1.00 62.41 H new ATOM 0 HB THR A 87 10.571 -17.295 -3.981 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.401 -18.145 -5.346 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.353 -19.348 -5.330 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.875 -18.365 -5.457 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.056 -18.372 -6.788 1.00 50.43 H new ATOM 1499 N ALA A 88 11.950 -14.665 -6.553 1.00 71.44 N ATOM 1500 CA ALA A 88 12.983 -13.645 -6.635 1.00 13.45 C ATOM 1501 C ALA A 88 12.369 -12.345 -7.159 1.00 44.20 C ATOM 1502 O ALA A 88 13.086 -11.394 -7.463 1.00 63.25 O ATOM 1503 CB ALA A 88 14.128 -14.146 -7.517 1.00 64.41 C ATOM 0 H ALA A 88 11.888 -15.276 -7.367 1.00 71.44 H new ATOM 0 HA ALA A 88 13.398 -13.440 -5.648 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.902 -13.381 -7.578 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.549 -15.054 -7.086 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.750 -14.360 -8.517 1.00 64.41 H new ATOM 1509 N ALA A 89 11.048 -12.346 -7.252 1.00 34.45 N ATOM 1510 CA ALA A 89 10.329 -11.179 -7.735 1.00 73.43 C ATOM 1511 C ALA A 89 10.271 -10.127 -6.626 1.00 42.11 C ATOM 1512 O ALA A 89 9.188 -9.750 -6.180 1.00 30.52 O ATOM 1513 CB ALA A 89 8.937 -11.599 -8.215 1.00 61.45 C ATOM 0 H ALA A 89 10.456 -13.137 -7.001 1.00 34.45 H new ATOM 0 HA ALA A 89 10.846 -10.734 -8.585 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.398 -10.724 -8.577 1.00 61.45 H new ATOM 0 HB2 ALA A 89 9.034 -12.325 -9.022 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.387 -12.047 -7.388 1.00 61.45 H new ATOM 1519 N LEU A 90 11.449 -9.680 -6.215 1.00 64.42 N ATOM 1520 CA LEU A 90 11.544 -8.679 -5.167 1.00 63.51 C ATOM 1521 C LEU A 90 10.249 -7.868 -5.123 1.00 52.21 C ATOM 1522 O LEU A 90 9.857 -7.261 -6.120 1.00 54.01 O ATOM 1523 CB LEU A 90 12.800 -7.825 -5.357 1.00 34.25 C ATOM 1524 CG LEU A 90 13.841 -7.905 -4.239 1.00 71.21 C ATOM 1525 CD1 LEU A 90 13.970 -9.336 -3.712 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.186 -7.342 -4.701 1.00 41.31 C ATOM 0 H LEU A 90 12.345 -9.993 -6.589 1.00 64.42 H new ATOM 0 HA LEU A 90 11.654 -9.155 -4.193 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.277 -8.119 -6.292 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.494 -6.785 -5.468 1.00 34.25 H new ATOM 0 HG LEU A 90 13.500 -7.285 -3.410 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.716 -9.365 -2.918 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.009 -9.667 -3.319 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.277 -9.996 -4.523 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.908 -7.411 -3.887 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.546 -7.915 -5.555 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.064 -6.298 -4.990 1.00 41.31 H new ATOM 1538 N MET A 91 9.620 -7.879 -3.957 1.00 32.43 N ATOM 1539 CA MET A 91 8.376 -7.152 -3.770 1.00 22.31 C ATOM 1540 C MET A 91 8.528 -5.689 -4.192 1.00 44.01 C ATOM 1541 O MET A 91 7.537 -5.006 -4.445 1.00 41.02 O ATOM 1542 CB MET A 91 7.962 -7.219 -2.298 1.00 61.30 C ATOM 1543 CG MET A 91 7.877 -8.669 -1.818 1.00 10.20 C ATOM 1544 SD MET A 91 6.401 -9.440 -2.461 1.00 71.21 S ATOM 1545 CE MET A 91 5.187 -8.213 -2.003 1.00 3.14 C ATOM 0 H MET A 91 9.949 -8.380 -3.132 1.00 32.43 H new ATOM 0 HA MET A 91 7.610 -7.613 -4.393 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.682 -6.672 -1.689 1.00 61.30 H new ATOM 0 HB3 MET A 91 6.996 -6.731 -2.166 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.758 -9.221 -2.146 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.868 -8.700 -0.728 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.187 -8.636 -2.102 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.351 -7.907 -0.970 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.281 -7.346 -2.658 1.00 3.14 H new ATOM 1555 N SER A 92 9.778 -5.250 -4.253 1.00 61.22 N ATOM 1556 CA SER A 92 10.073 -3.882 -4.640 1.00 10.22 C ATOM 1557 C SER A 92 9.763 -3.679 -6.125 1.00 3.55 C ATOM 1558 O SER A 92 9.129 -2.696 -6.502 1.00 30.35 O ATOM 1559 CB SER A 92 11.532 -3.529 -4.348 1.00 12.35 C ATOM 1560 OG SER A 92 11.777 -2.130 -4.465 1.00 55.11 O ATOM 0 H SER A 92 10.597 -5.819 -4.041 1.00 61.22 H new ATOM 0 HA SER A 92 9.442 -3.217 -4.050 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.790 -3.859 -3.342 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.181 -4.069 -5.037 1.00 12.35 H new ATOM 0 HG SER A 92 12.737 -1.975 -4.588 1.00 55.11 H new ATOM 1566 N ALA A 93 10.229 -4.626 -6.927 1.00 51.43 N ATOM 1567 CA ALA A 93 10.012 -4.564 -8.362 1.00 44.32 C ATOM 1568 C ALA A 93 8.548 -4.891 -8.666 1.00 70.44 C ATOM 1569 O ALA A 93 7.979 -4.374 -9.627 1.00 35.31 O ATOM 1570 CB ALA A 93 10.981 -5.515 -9.068 1.00 51.33 C ATOM 0 H ALA A 93 10.756 -5.440 -6.610 1.00 51.43 H new ATOM 0 HA ALA A 93 10.211 -3.560 -8.737 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.817 -5.468 -10.145 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.007 -5.222 -8.844 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.810 -6.533 -8.719 1.00 51.33 H new ATOM 1576 N ILE A 94 7.981 -5.748 -7.830 1.00 40.34 N ATOM 1577 CA ILE A 94 6.595 -6.150 -7.998 1.00 0.42 C ATOM 1578 C ILE A 94 5.691 -4.923 -7.866 1.00 61.53 C ATOM 1579 O ILE A 94 4.780 -4.728 -8.670 1.00 44.40 O ATOM 1580 CB ILE A 94 6.243 -7.278 -7.026 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.166 -8.482 -7.226 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.767 -7.663 -7.142 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.801 -9.248 -8.499 1.00 10.40 C ATOM 0 H ILE A 94 8.456 -6.175 -7.035 1.00 40.34 H new ATOM 0 HA ILE A 94 6.436 -6.557 -8.997 1.00 0.42 H new ATOM 0 HB ILE A 94 6.402 -6.915 -6.011 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.201 -8.145 -7.284 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.095 -9.146 -6.365 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.544 -8.467 -6.440 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.146 -6.797 -6.911 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.557 -8.000 -8.157 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.472 -10.099 -8.617 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.773 -9.604 -8.427 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.897 -8.588 -9.361 1.00 10.40 H new ATOM 1595 N TYR A 95 5.976 -4.123 -6.847 1.00 51.15 N ATOM 1596 CA TYR A 95 5.202 -2.920 -6.600 1.00 20.24 C ATOM 1597 C TYR A 95 5.452 -1.874 -7.689 1.00 42.21 C ATOM 1598 O TYR A 95 4.800 -0.832 -7.714 1.00 45.41 O ATOM 1599 CB TYR A 95 5.693 -2.370 -5.259 1.00 42.53 C ATOM 1600 CG TYR A 95 5.094 -1.012 -4.887 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.539 0.134 -5.513 1.00 32.12 C ATOM 1602 CD2 TYR A 95 4.108 -0.934 -3.923 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.975 1.411 -5.162 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.544 0.342 -3.572 1.00 23.54 C ATOM 1605 CZ TYR A 95 4.006 1.453 -4.210 1.00 24.44 C ATOM 1606 OH TYR A 95 3.473 2.660 -3.879 1.00 51.50 O ATOM 0 H TYR A 95 6.733 -4.286 -6.183 1.00 51.15 H new ATOM 0 HA TYR A 95 4.135 -3.144 -6.594 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.455 -3.088 -4.474 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.779 -2.280 -5.290 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.310 0.073 -6.266 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.760 -1.831 -3.433 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.314 2.316 -5.644 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.772 0.417 -2.820 1.00 23.54 H new ATOM 0 HH TYR A 95 2.538 2.542 -3.610 1.00 51.50 H new ATOM 1616 N GLN A 96 6.397 -2.189 -8.562 1.00 41.34 N ATOM 1617 CA GLN A 96 6.741 -1.289 -9.651 1.00 40.14 C ATOM 1618 C GLN A 96 6.124 -1.782 -10.961 1.00 73.33 C ATOM 1619 O GLN A 96 6.153 -1.077 -11.969 1.00 35.05 O ATOM 1620 CB GLN A 96 8.259 -1.143 -9.781 1.00 62.44 C ATOM 1621 CG GLN A 96 8.649 -0.745 -11.205 1.00 73.05 C ATOM 1622 CD GLN A 96 8.076 0.626 -11.569 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.437 0.810 -12.592 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.339 1.577 -10.675 1.00 34.13 N ATOM 0 H GLN A 96 6.936 -3.055 -8.538 1.00 41.34 H new ATOM 0 HA GLN A 96 6.331 -0.304 -9.427 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.618 -0.391 -9.078 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.743 -2.083 -9.517 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.735 -0.725 -11.296 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.284 -1.494 -11.908 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.880 1.356 -9.839 1.00 34.13 H new ATOM 0 HE22 GLN A 96 7.999 2.527 -10.826 1.00 34.13 H new ATOM 1633 N GLU A 97 5.576 -2.987 -10.904 1.00 32.44 N ATOM 1634 CA GLU A 97 4.952 -3.582 -12.074 1.00 2.21 C ATOM 1635 C GLU A 97 3.473 -3.861 -11.802 1.00 41.50 C ATOM 1636 O GLU A 97 2.730 -4.231 -12.710 1.00 31.31 O ATOM 1637 CB GLU A 97 5.683 -4.858 -12.497 1.00 65.22 C ATOM 1638 CG GLU A 97 5.047 -6.091 -11.853 1.00 55.53 C ATOM 1639 CD GLU A 97 5.808 -7.363 -12.236 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.951 -7.283 -12.707 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.169 -8.464 -12.029 1.00 70.13 O ATOM 0 H GLU A 97 5.551 -3.568 -10.066 1.00 32.44 H new ATOM 0 HA GLU A 97 5.022 -2.873 -12.899 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.655 -4.955 -13.582 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.732 -4.793 -12.209 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.042 -5.978 -10.769 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.007 -6.176 -12.169 1.00 55.53 H new ATOM 1649 N HIS A 98 3.089 -3.673 -10.548 1.00 3.52 N ATOM 1650 CA HIS A 98 1.711 -3.899 -10.145 1.00 21.22 C ATOM 1651 C HIS A 98 1.223 -2.720 -9.301 1.00 61.24 C ATOM 1652 O HIS A 98 0.227 -2.833 -8.588 1.00 1.42 O ATOM 1653 CB HIS A 98 1.570 -5.242 -9.426 1.00 32.21 C ATOM 1654 CG HIS A 98 1.856 -6.440 -10.300 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.364 -6.564 -11.587 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.589 -7.564 -10.059 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.786 -7.714 -12.089 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.546 -8.333 -11.140 1.00 24.24 N ATOM 0 H HIS A 98 3.708 -3.367 -9.797 1.00 3.52 H new ATOM 0 HA HIS A 98 1.074 -3.956 -11.028 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.247 -5.258 -8.572 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.557 -5.327 -9.031 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.115 -7.790 -9.144 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.567 -8.095 -13.076 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.005 -9.238 -11.244 1.00 24.24 H new ATOM 1667 N LYS A 99 1.945 -1.615 -9.410 1.00 12.51 N ATOM 1668 CA LYS A 99 1.599 -0.417 -8.666 1.00 13.43 C ATOM 1669 C LYS A 99 0.120 -0.092 -8.892 1.00 32.40 C ATOM 1670 O LYS A 99 -0.535 -0.716 -9.725 1.00 3.15 O ATOM 1671 CB LYS A 99 2.542 0.731 -9.028 1.00 4.34 C ATOM 1672 CG LYS A 99 2.511 1.012 -10.533 1.00 4.14 C ATOM 1673 CD LYS A 99 2.044 2.443 -10.813 1.00 12.25 C ATOM 1674 CE LYS A 99 1.884 2.682 -12.315 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.660 3.467 -12.589 1.00 53.51 N ATOM 0 H LYS A 99 2.770 -1.524 -10.004 1.00 12.51 H new ATOM 0 HA LYS A 99 1.731 -0.582 -7.597 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.255 1.629 -8.481 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.558 0.482 -8.722 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.504 0.860 -10.956 1.00 4.14 H new ATOM 0 HG3 LYS A 99 1.844 0.305 -11.025 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.095 2.625 -10.309 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.764 3.151 -10.403 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.756 3.211 -12.700 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.835 1.727 -12.838 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.568 3.620 -13.614 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.171 2.948 -12.240 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.722 4.386 -12.106 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.361 0.882 -8.134 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.748 1.298 -8.241 1.00 31.41 C ATOM 1691 C ASP A 100 -1.819 2.826 -8.271 1.00 24.34 C ATOM 1692 O ASP A 100 -0.840 3.503 -7.961 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.563 0.811 -7.041 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.037 0.523 -7.333 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -4.867 1.443 -7.398 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.326 -0.723 -7.500 1.00 2.43 O ATOM 0 H ASP A 100 0.186 1.395 -7.443 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.158 0.868 -9.155 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.101 -0.097 -6.652 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -2.504 1.562 -6.253 1.00 64.51 H new ATOM 1702 N LYS A 101 -2.986 3.325 -8.648 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.198 4.761 -8.723 1.00 45.13 C ATOM 1704 C LYS A 101 -2.956 5.380 -7.346 1.00 14.41 C ATOM 1705 O LYS A 101 -2.283 6.403 -7.230 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.580 5.070 -9.304 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.704 4.544 -10.735 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.803 5.285 -11.498 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.135 5.211 -10.750 1.00 51.00 C ATOM 1710 NZ LYS A 101 -8.267 5.295 -11.700 1.00 33.55 N ATOM 0 H LYS A 101 -3.796 2.761 -8.905 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.482 5.217 -9.407 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.350 4.618 -8.679 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.751 6.146 -9.293 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.753 4.663 -11.254 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -4.926 3.477 -10.716 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.516 6.328 -11.635 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.916 4.852 -12.492 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.192 4.279 -10.188 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -7.198 6.024 -10.026 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -9.164 5.243 -11.176 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -8.220 6.196 -12.218 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -8.214 4.505 -12.374 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.519 4.734 -6.335 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.373 5.208 -4.969 1.00 44.11 C ATOM 1726 C ASP A 102 -1.942 4.946 -4.493 1.00 52.35 C ATOM 1727 O ASP A 102 -1.558 5.375 -3.406 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.328 4.472 -4.026 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.518 2.984 -4.329 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.590 2.556 -4.778 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.491 2.243 -4.083 1.00 40.41 O ATOM 0 H ASP A 102 -4.077 3.886 -6.435 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.602 6.274 -4.955 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.958 4.575 -3.006 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.301 4.962 -4.064 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.194 4.244 -5.329 1.00 12.34 N ATOM 1738 CA GLY A 103 0.186 3.920 -5.008 1.00 1.51 C ATOM 1739 C GLY A 103 0.272 2.615 -4.215 1.00 42.14 C ATOM 1740 O GLY A 103 1.173 1.808 -4.436 1.00 30.21 O ATOM 0 H GLY A 103 -1.517 3.890 -6.229 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.765 3.830 -5.927 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.629 4.731 -4.430 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.677 2.448 -3.306 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.720 1.255 -2.478 1.00 12.24 C ATOM 1746 C PHE A 104 -0.930 0.002 -3.331 1.00 72.13 C ATOM 1747 O PHE A 104 -1.780 -0.011 -4.222 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.907 1.413 -1.527 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.529 1.942 -0.142 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.119 1.080 0.827 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -1.603 3.274 0.121 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -0.767 1.571 2.112 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -1.252 3.765 1.407 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.841 2.903 2.375 1.00 62.30 C ATOM 0 H PHE A 104 -1.423 3.120 -3.125 1.00 53.45 H new ATOM 0 HA PHE A 104 0.221 1.142 -1.940 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.633 2.090 -1.978 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.400 0.447 -1.414 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.061 0.022 0.619 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -1.929 3.959 -0.648 1.00 73.23 H new ATOM 0 HE1 PHE A 104 -0.440 0.886 2.881 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -1.312 4.823 1.616 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.573 3.276 3.352 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.142 -1.019 -3.033 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.229 -2.272 -3.761 1.00 0.04 C ATOM 1766 C LEU A 105 -1.413 -3.083 -3.231 1.00 11.52 C ATOM 1767 O LEU A 105 -1.949 -2.782 -2.166 1.00 74.42 O ATOM 1768 CB LEU A 105 1.104 -3.021 -3.703 1.00 42.33 C ATOM 1769 CG LEU A 105 1.625 -3.568 -5.035 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.880 -2.434 -6.031 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.868 -4.435 -4.822 1.00 71.12 C ATOM 0 H LEU A 105 0.562 -1.004 -2.295 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.417 -2.085 -4.818 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.857 -2.351 -3.289 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.000 -3.853 -3.007 1.00 42.33 H new ATOM 0 HG LEU A 105 0.856 -4.208 -5.467 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.249 -2.849 -6.969 1.00 42.30 H new ATOM 0 HD12 LEU A 105 0.951 -1.895 -6.214 1.00 42.30 H new ATOM 0 HD13 LEU A 105 2.622 -1.749 -5.620 1.00 42.30 H new ATOM 0 HD21 LEU A 105 3.218 -4.811 -5.783 1.00 71.12 H new ATOM 0 HD22 LEU A 105 3.653 -3.838 -4.358 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.619 -5.274 -4.173 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.787 -4.096 -3.999 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.897 -4.953 -3.619 1.00 42.31 C ATOM 1785 C TYR A 106 -2.617 -6.412 -3.989 1.00 52.24 C ATOM 1786 O TYR A 106 -2.916 -6.841 -5.102 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.103 -4.460 -4.422 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.595 -3.069 -4.015 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.363 -2.913 -2.880 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.268 -1.969 -4.783 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.826 -1.604 -2.496 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.731 -0.660 -4.400 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.487 -0.542 -3.276 1.00 45.15 C ATOM 1794 OH TYR A 106 -5.923 0.693 -2.913 1.00 44.34 O ATOM 0 H TYR A 106 -1.341 -4.342 -4.883 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.063 -4.910 -2.543 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.841 -4.446 -5.480 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.920 -5.172 -4.305 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.618 -3.773 -2.279 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.665 -2.090 -5.671 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.428 -1.469 -1.610 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.483 0.208 -4.992 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.121 1.219 -3.716 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.046 -7.130 -3.034 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.720 -8.532 -3.246 1.00 40.22 C ATOM 1806 C VAL A 107 -2.766 -9.402 -2.547 1.00 71.32 C ATOM 1807 O VAL A 107 -3.526 -8.917 -1.709 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.294 -8.814 -2.773 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.009 -8.116 -1.441 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -0.040 -10.319 -2.669 1.00 51.41 C ATOM 0 H VAL A 107 -1.800 -6.769 -2.112 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.749 -8.777 -4.308 1.00 40.22 H new ATOM 0 HB VAL A 107 0.392 -8.408 -3.516 1.00 15.44 H new ATOM 0 HG11 VAL A 107 1.012 -8.333 -1.128 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.130 -7.039 -1.561 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.705 -8.477 -0.684 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.981 -10.493 -2.331 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.738 -10.757 -1.956 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -0.182 -10.780 -3.646 1.00 51.41 H new ATOM 1820 N THR A 108 -2.773 -10.674 -2.918 1.00 21.14 N ATOM 1821 CA THR A 108 -3.713 -11.619 -2.338 1.00 55.41 C ATOM 1822 C THR A 108 -3.060 -12.996 -2.188 1.00 62.50 C ATOM 1823 O THR A 108 -2.060 -13.287 -2.839 1.00 11.44 O ATOM 1824 CB THR A 108 -4.968 -11.632 -3.211 1.00 74.21 C ATOM 1825 OG1 THR A 108 -4.978 -10.347 -3.825 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.255 -11.661 -2.384 1.00 22.42 C ATOM 0 H THR A 108 -2.142 -11.073 -3.614 1.00 21.14 H new ATOM 0 HA THR A 108 -4.004 -11.321 -1.331 1.00 55.41 H new ATOM 0 HB THR A 108 -4.942 -12.498 -3.872 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.760 -10.270 -4.411 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.116 -11.669 -3.052 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.268 -12.557 -1.763 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.298 -10.778 -1.747 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.656 -13.805 -1.325 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.147 -15.144 -1.081 1.00 32.00 C ATOM 1836 C TYR A 109 -4.290 -16.154 -0.969 1.00 31.13 C ATOM 1837 O TYR A 109 -5.297 -15.888 -0.312 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.408 -15.078 0.258 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.315 -14.782 1.454 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.683 -13.483 1.737 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.763 -15.815 2.252 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.537 -13.204 2.862 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.616 -15.537 3.379 1.00 12.40 C ATOM 1844 CZ TYR A 109 -4.960 -14.245 3.628 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.766 -13.983 4.691 1.00 35.34 O ATOM 0 H TYR A 109 -4.486 -13.559 -0.786 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.502 -15.463 -1.899 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.898 -16.026 0.427 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.638 -14.308 0.199 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.330 -12.674 1.114 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.474 -16.832 2.031 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.835 -12.192 3.092 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -4.974 -16.336 4.011 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.990 -14.822 5.146 1.00 35.34 H new ATOM 1855 N SER A 110 -4.098 -17.292 -1.619 1.00 65.21 N ATOM 1856 CA SER A 110 -5.101 -18.344 -1.600 1.00 13.24 C ATOM 1857 C SER A 110 -4.465 -19.667 -1.172 1.00 41.23 C ATOM 1858 O SER A 110 -3.248 -19.830 -1.254 1.00 40.25 O ATOM 1859 CB SER A 110 -5.768 -18.492 -2.968 1.00 42.53 C ATOM 1860 OG SER A 110 -4.916 -19.139 -3.911 1.00 73.50 O ATOM 0 H SER A 110 -3.263 -17.509 -2.162 1.00 65.21 H new ATOM 0 HA SER A 110 -5.871 -18.070 -0.878 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.690 -19.063 -2.862 1.00 42.53 H new ATOM 0 HB3 SER A 110 -6.044 -17.507 -3.345 1.00 42.53 H new ATOM 0 HG SER A 110 -5.210 -20.066 -4.035 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.315 -20.580 -0.728 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.851 -21.885 -0.288 1.00 10.15 C ATOM 1868 C GLY A 111 -4.615 -22.814 -1.481 1.00 11.13 C ATOM 1869 O GLY A 111 -4.165 -23.946 -1.311 1.00 34.05 O ATOM 0 H GLY A 111 -6.324 -20.442 -0.663 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.927 -21.774 0.279 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.586 -22.329 0.383 1.00 10.15 H new ATOM 1873 N GLU A 112 -4.930 -22.301 -2.661 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.758 -23.069 -3.883 1.00 65.25 C ATOM 1875 C GLU A 112 -3.910 -22.288 -4.887 1.00 62.14 C ATOM 1876 O GLU A 112 -3.791 -21.068 -4.787 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.111 -23.450 -4.484 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.923 -22.203 -4.845 1.00 43.23 C ATOM 1879 CD GLU A 112 -7.620 -21.629 -3.611 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -8.187 -20.527 -3.676 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -7.564 -22.370 -2.557 1.00 41.42 O ATOM 0 H GLU A 112 -5.304 -21.362 -2.797 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.233 -23.993 -3.638 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -5.958 -24.059 -5.375 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -6.670 -24.059 -3.773 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.266 -21.450 -5.280 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.665 -22.454 -5.603 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.343 -23.024 -5.833 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.510 -22.414 -6.855 1.00 34.31 C ATOM 1891 C ASN A 113 -3.373 -22.070 -8.071 1.00 20.23 C ATOM 1892 O ASN A 113 -2.850 -21.815 -9.154 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.410 -23.374 -7.312 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.535 -22.730 -8.390 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -0.584 -23.080 -9.557 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.269 -21.775 -7.933 1.00 31.33 N ATOM 0 H ASN A 113 -3.444 -24.036 -5.913 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.055 -21.519 -6.431 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.793 -23.659 -6.460 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.858 -24.288 -7.700 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.895 -21.286 -8.573 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.260 -21.531 -6.943 1.00 31.33 H new ATOM 1903 N THR A 114 -4.679 -22.072 -7.850 1.00 2.32 N ATOM 1904 CA THR A 114 -5.619 -21.763 -8.914 1.00 50.23 C ATOM 1905 C THR A 114 -6.744 -20.870 -8.388 1.00 72.55 C ATOM 1906 O THR A 114 -6.680 -20.383 -7.261 1.00 12.33 O ATOM 1907 CB THR A 114 -6.116 -23.084 -9.504 1.00 73.22 C ATOM 1908 OG1 THR A 114 -4.942 -23.884 -9.603 1.00 70.52 O ATOM 1909 CG2 THR A 114 -6.590 -22.937 -10.951 1.00 53.33 C ATOM 0 H THR A 114 -5.109 -22.283 -6.949 1.00 2.32 H new ATOM 0 HA THR A 114 -5.141 -21.194 -9.712 1.00 50.23 H new ATOM 0 HB THR A 114 -6.931 -23.470 -8.892 1.00 73.22 H new ATOM 0 HG1 THR A 114 -5.174 -24.760 -9.976 1.00 70.52 H new ATOM 0 HG21 THR A 114 -6.932 -23.903 -11.322 1.00 53.33 H new ATOM 0 HG22 THR A 114 -7.410 -22.221 -10.994 1.00 53.33 H new ATOM 0 HG23 THR A 114 -5.766 -22.582 -11.570 1.00 53.33 H new ATOM 1917 N PHE A 115 -7.750 -20.681 -9.230 1.00 31.21 N ATOM 1918 CA PHE A 115 -8.888 -19.855 -8.865 1.00 74.33 C ATOM 1919 C PHE A 115 -10.171 -20.687 -8.802 1.00 52.11 C ATOM 1920 O PHE A 115 -10.800 -20.942 -9.827 1.00 2.34 O ATOM 1921 CB PHE A 115 -9.036 -18.792 -9.954 1.00 71.32 C ATOM 1922 CG PHE A 115 -8.816 -19.321 -11.375 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -7.554 -19.480 -11.852 1.00 71.13 C ATOM 1924 CD2 PHE A 115 -9.886 -19.629 -12.157 1.00 42.14 C ATOM 1925 CE1 PHE A 115 -7.350 -19.971 -13.169 1.00 73.42 C ATOM 1926 CE2 PHE A 115 -9.681 -20.120 -13.474 1.00 70.23 C ATOM 1927 CZ PHE A 115 -8.418 -20.279 -13.953 1.00 24.02 C ATOM 0 H PHE A 115 -7.800 -21.086 -10.165 1.00 31.21 H new ATOM 0 HA PHE A 115 -8.726 -19.411 -7.883 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -10.033 -18.357 -9.890 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -8.325 -17.989 -9.762 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -6.706 -19.233 -11.230 1.00 71.13 H new ATOM 0 HD2 PHE A 115 -10.889 -19.500 -11.777 1.00 42.14 H new ATOM 0 HE1 PHE A 115 -6.347 -20.100 -13.548 1.00 73.42 H new ATOM 0 HE2 PHE A 115 -10.529 -20.367 -14.096 1.00 70.23 H new ATOM 0 HZ PHE A 115 -8.263 -20.650 -14.956 1.00 24.02 H new ATOM 1937 N GLY A 116 -10.521 -21.087 -7.588 1.00 41.22 N ATOM 1938 CA GLY A 116 -11.717 -21.883 -7.377 1.00 63.52 C ATOM 1939 C GLY A 116 -11.601 -22.718 -6.100 1.00 53.54 C ATOM 1940 O GLY A 116 -12.433 -23.588 -5.847 1.00 21.00 O ATOM 0 H GLY A 116 -9.996 -20.874 -6.740 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -12.586 -21.229 -7.311 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -11.877 -22.540 -8.232 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 -17.754 -12.816 1.692 1.00 75.34 N ATOM 1946 CA GLY B 597 -17.367 -13.767 0.665 1.00 34.21 C ATOM 1947 C GLY B 597 -16.995 -13.048 -0.634 1.00 23.30 C ATOM 1948 O GLY B 597 -15.822 -12.768 -0.878 1.00 40.31 O ATOM 0 HA2 GLY B 597 -16.520 -14.359 1.013 1.00 34.21 H new ATOM 0 HA3 GLY B 597 -18.187 -14.461 0.479 1.00 34.21 H new ATOM 1952 N PRO B 598 -18.042 -12.765 -1.454 1.00 62.55 N ATOM 1953 CA PRO B 598 -17.836 -12.085 -2.722 1.00 62.45 C ATOM 1954 C PRO B 598 -17.557 -10.596 -2.507 1.00 14.31 C ATOM 1955 O PRO B 598 -18.457 -9.835 -2.157 1.00 53.31 O ATOM 1956 CB PRO B 598 -19.107 -12.341 -3.515 1.00 22.45 C ATOM 1957 CG PRO B 598 -20.157 -12.756 -2.499 1.00 50.22 C ATOM 1958 CD PRO B 598 -19.444 -13.082 -1.198 1.00 31.51 C ATOM 0 HA PRO B 598 -16.963 -12.454 -3.261 1.00 62.45 H new ATOM 0 HB2 PRO B 598 -19.418 -11.446 -4.054 1.00 22.45 H new ATOM 0 HB3 PRO B 598 -18.952 -13.123 -4.258 1.00 22.45 H new ATOM 0 HG2 PRO B 598 -20.879 -11.954 -2.348 1.00 50.22 H new ATOM 0 HG3 PRO B 598 -20.713 -13.623 -2.857 1.00 50.22 H new ATOM 0 HD2 PRO B 598 -19.839 -12.491 -0.371 1.00 31.51 H new ATOM 0 HD3 PRO B 598 -19.570 -14.131 -0.929 1.00 31.51 H new ATOM 1966 N HIS B 599 -16.303 -10.226 -2.725 1.00 20.43 N ATOM 1967 CA HIS B 599 -15.893 -8.841 -2.559 1.00 24.33 C ATOM 1968 C HIS B 599 -14.688 -8.552 -3.456 1.00 13.23 C ATOM 1969 O HIS B 599 -14.045 -9.475 -3.956 1.00 43.53 O ATOM 1970 CB HIS B 599 -15.625 -8.527 -1.086 1.00 5.22 C ATOM 1971 CG HIS B 599 -16.874 -8.319 -0.264 1.00 61.33 C ATOM 1972 ND1 HIS B 599 -17.614 -9.368 0.255 1.00 2.12 N ATOM 1973 CD2 HIS B 599 -17.507 -7.173 0.122 1.00 14.25 C ATOM 1974 CE1 HIS B 599 -18.642 -8.865 0.920 1.00 22.11 C ATOM 1975 NE2 HIS B 599 -18.575 -7.505 0.837 1.00 14.21 N ATOM 0 H HIS B 599 -15.558 -10.860 -3.015 1.00 20.43 H new ATOM 0 HA HIS B 599 -16.701 -8.179 -2.870 1.00 24.33 H new ATOM 0 HB2 HIS B 599 -15.048 -9.343 -0.651 1.00 5.22 H new ATOM 0 HB3 HIS B 599 -15.008 -7.631 -1.023 1.00 5.22 H new ATOM 0 HD1 HIS B 599 -17.403 -10.360 0.144 1.00 2.12 H new ATOM 0 HD2 HIS B 599 -17.192 -6.167 -0.114 1.00 14.25 H new ATOM 0 HE1 HIS B 599 -19.401 -9.432 1.438 1.00 22.11 H new ATOM 1984 N MET B 600 -14.418 -7.267 -3.633 1.00 35.21 N ATOM 1985 CA MET B 600 -13.301 -6.845 -4.462 1.00 63.23 C ATOM 1986 C MET B 600 -13.134 -5.324 -4.424 1.00 12.44 C ATOM 1987 O MET B 600 -13.827 -4.639 -3.674 1.00 13.20 O ATOM 1988 CB MET B 600 -13.536 -7.296 -5.904 1.00 40.24 C ATOM 1989 CG MET B 600 -15.017 -7.201 -6.275 1.00 42.43 C ATOM 1990 SD MET B 600 -15.552 -5.499 -6.211 1.00 51.21 S ATOM 1991 CE MET B 600 -17.220 -5.676 -6.821 1.00 71.31 C ATOM 0 H MET B 600 -14.953 -6.505 -3.217 1.00 35.21 H new ATOM 0 HA MET B 600 -12.391 -7.302 -4.073 1.00 63.23 H new ATOM 0 HB2 MET B 600 -12.947 -6.678 -6.582 1.00 40.24 H new ATOM 0 HB3 MET B 600 -13.192 -8.323 -6.028 1.00 40.24 H new ATOM 0 HG2 MET B 600 -15.177 -7.604 -7.275 1.00 42.43 H new ATOM 0 HG3 MET B 600 -15.612 -7.804 -5.589 1.00 42.43 H new ATOM 0 HE1 MET B 600 -17.704 -4.700 -6.846 1.00 71.31 H new ATOM 0 HE2 MET B 600 -17.197 -6.096 -7.827 1.00 71.31 H new ATOM 0 HE3 MET B 600 -17.779 -6.341 -6.163 1.00 71.31 H new ATOM 2001 N ILE B 601 -12.210 -4.842 -5.241 1.00 63.02 N ATOM 2002 CA ILE B 601 -11.943 -3.416 -5.311 1.00 4.30 C ATOM 2003 C ILE B 601 -13.267 -2.659 -5.440 1.00 60.31 C ATOM 2004 O ILE B 601 -13.850 -2.600 -6.521 1.00 72.44 O ATOM 2005 CB ILE B 601 -10.950 -3.110 -6.432 1.00 25.01 C ATOM 2006 CG1 ILE B 601 -9.608 -3.803 -6.181 1.00 55.25 C ATOM 2007 CG2 ILE B 601 -10.787 -1.601 -6.626 1.00 53.51 C ATOM 2008 CD1 ILE B 601 -9.123 -3.556 -4.752 1.00 12.21 C ATOM 0 H ILE B 601 -11.636 -5.414 -5.861 1.00 63.02 H new ATOM 0 HA ILE B 601 -11.466 -3.073 -4.392 1.00 4.30 H new ATOM 0 HB ILE B 601 -11.352 -3.512 -7.362 1.00 25.01 H new ATOM 0 HG12 ILE B 601 -9.710 -4.874 -6.354 1.00 55.25 H new ATOM 0 HG13 ILE B 601 -8.866 -3.435 -6.890 1.00 55.25 H new ATOM 0 HG21 ILE B 601 -10.075 -1.412 -7.429 1.00 53.51 H new ATOM 0 HG22 ILE B 601 -11.750 -1.161 -6.884 1.00 53.51 H new ATOM 0 HG23 ILE B 601 -10.419 -1.153 -5.703 1.00 53.51 H new ATOM 0 HD11 ILE B 601 -8.168 -4.059 -4.600 1.00 12.21 H new ATOM 0 HD12 ILE B 601 -8.999 -2.485 -4.590 1.00 12.21 H new ATOM 0 HD13 ILE B 601 -9.856 -3.947 -4.046 1.00 12.21 H new ATOM 2020 N SER B 602 -13.703 -2.099 -4.321 1.00 24.53 N ATOM 2021 CA SER B 602 -14.948 -1.350 -4.294 1.00 44.02 C ATOM 2022 C SER B 602 -14.686 0.112 -4.662 1.00 51.34 C ATOM 2023 O SER B 602 -15.006 0.546 -5.767 1.00 54.12 O ATOM 2024 CB SER B 602 -15.617 -1.441 -2.922 1.00 55.44 C ATOM 2025 OG SER B 602 -16.138 -2.742 -2.667 1.00 51.42 O ATOM 0 H SER B 602 -13.216 -2.149 -3.426 1.00 24.53 H new ATOM 0 HA SER B 602 -15.626 -1.787 -5.027 1.00 44.02 H new ATOM 0 HB2 SER B 602 -14.894 -1.182 -2.148 1.00 55.44 H new ATOM 0 HB3 SER B 602 -16.423 -0.710 -2.863 1.00 55.44 H new ATOM 0 HG SER B 602 -15.486 -3.417 -2.951 1.00 51.42 H new ATOM 2031 N GLY B 603 -14.104 0.832 -3.712 1.00 22.21 N ATOM 2032 CA GLY B 603 -13.796 2.236 -3.922 1.00 23.01 C ATOM 2033 C GLY B 603 -15.005 2.987 -4.483 1.00 13.24 C ATOM 2034 O GLY B 603 -15.233 2.985 -5.692 1.00 71.31 O ATOM 0 H GLY B 603 -13.838 0.469 -2.797 1.00 22.21 H new ATOM 0 HA2 GLY B 603 -13.488 2.689 -2.980 1.00 23.01 H new ATOM 0 HA3 GLY B 603 -12.955 2.328 -4.610 1.00 23.01 H new ATOM 2038 N LEU B 604 -15.748 3.609 -3.580 1.00 23.11 N ATOM 2039 CA LEU B 604 -16.927 4.360 -3.971 1.00 33.20 C ATOM 2040 C LEU B 604 -16.720 5.838 -3.632 1.00 61.43 C ATOM 2041 O LEU B 604 -15.817 6.184 -2.873 1.00 44.14 O ATOM 2042 CB LEU B 604 -18.182 3.755 -3.339 1.00 63.33 C ATOM 2043 CG LEU B 604 -19.484 4.530 -3.558 1.00 32.33 C ATOM 2044 CD1 LEU B 604 -19.841 4.593 -5.044 1.00 3.42 C ATOM 2045 CD2 LEU B 604 -20.620 3.939 -2.720 1.00 62.25 C ATOM 0 H LEU B 604 -15.556 3.608 -2.578 1.00 23.11 H new ATOM 0 HA LEU B 604 -17.079 4.297 -5.049 1.00 33.20 H new ATOM 0 HB2 LEU B 604 -18.312 2.747 -3.732 1.00 63.33 H new ATOM 0 HB3 LEU B 604 -18.015 3.660 -2.266 1.00 63.33 H new ATOM 0 HG LEU B 604 -19.333 5.555 -3.220 1.00 32.33 H new ATOM 0 HD11 LEU B 604 -20.770 5.149 -5.172 1.00 3.42 H new ATOM 0 HD12 LEU B 604 -19.041 5.093 -5.590 1.00 3.42 H new ATOM 0 HD13 LEU B 604 -19.967 3.582 -5.431 1.00 3.42 H new ATOM 0 HD21 LEU B 604 -21.534 4.507 -2.893 1.00 62.25 H new ATOM 0 HD22 LEU B 604 -20.780 2.899 -3.005 1.00 62.25 H new ATOM 0 HD23 LEU B 604 -20.357 3.989 -1.663 1.00 62.25 H new ATOM 2057 N SER B 605 -17.574 6.670 -4.211 1.00 60.21 N ATOM 2058 CA SER B 605 -17.495 8.103 -3.980 1.00 72.42 C ATOM 2059 C SER B 605 -18.351 8.485 -2.770 1.00 55.33 C ATOM 2060 O SER B 605 -19.060 9.489 -2.799 1.00 51.11 O ATOM 2061 CB SER B 605 -17.945 8.885 -5.215 1.00 73.05 C ATOM 2062 OG SER B 605 -17.461 10.226 -5.202 1.00 72.33 O ATOM 0 H SER B 605 -18.323 6.380 -4.839 1.00 60.21 H new ATOM 0 HA SER B 605 -16.455 8.361 -3.779 1.00 72.42 H new ATOM 0 HB2 SER B 605 -17.590 8.380 -6.113 1.00 73.05 H new ATOM 0 HB3 SER B 605 -19.034 8.893 -5.263 1.00 73.05 H new ATOM 0 HG SER B 605 -17.768 10.677 -4.388 1.00 72.33 H new ATOM 2068 N VAL B 606 -18.253 7.664 -1.735 1.00 13.10 N ATOM 2069 CA VAL B 606 -19.010 7.904 -0.517 1.00 10.05 C ATOM 2070 C VAL B 606 -18.039 8.178 0.634 1.00 33.11 C ATOM 2071 O VAL B 606 -16.878 7.775 0.582 1.00 74.11 O ATOM 2072 CB VAL B 606 -19.945 6.725 -0.242 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -19.174 5.404 -0.226 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -20.713 6.929 1.067 1.00 64.30 C ATOM 0 H VAL B 606 -17.662 6.833 -1.714 1.00 13.10 H new ATOM 0 HA VAL B 606 -19.643 8.785 -0.627 1.00 10.05 H new ATOM 0 HB VAL B 606 -20.671 6.677 -1.053 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -19.863 4.583 -0.028 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -18.695 5.251 -1.193 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -18.414 5.436 0.555 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -21.371 6.077 1.240 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -20.007 7.016 1.893 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -21.308 7.840 1.001 1.00 64.30 H new ATOM 2084 N ILE B 607 -18.551 8.861 1.648 1.00 53.13 N ATOM 2085 CA ILE B 607 -17.746 9.195 2.809 1.00 52.11 C ATOM 2086 C ILE B 607 -18.395 8.604 4.062 1.00 71.45 C ATOM 2087 O ILE B 607 -19.388 7.883 3.970 1.00 12.45 O ATOM 2088 CB ILE B 607 -17.518 10.705 2.887 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -17.528 11.335 1.494 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -16.231 11.026 3.651 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -16.323 10.872 0.674 1.00 71.40 C ATOM 0 H ILE B 607 -19.515 9.192 1.689 1.00 53.13 H new ATOM 0 HA ILE B 607 -16.754 8.751 2.725 1.00 52.11 H new ATOM 0 HB ILE B 607 -18.344 11.146 3.445 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -18.449 11.067 0.976 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -17.516 12.421 1.582 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -16.092 12.106 3.692 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -16.301 10.630 4.664 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -15.382 10.570 3.141 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -16.355 11.335 -0.312 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -15.404 11.163 1.182 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -16.351 9.788 0.567 1.00 71.40 H new ATOM 2103 N LYS B 608 -17.809 8.931 5.205 1.00 54.41 N ATOM 2104 CA LYS B 608 -18.320 8.442 6.474 1.00 40.33 C ATOM 2105 C LYS B 608 -18.056 6.939 6.580 1.00 31.41 C ATOM 2106 O LYS B 608 -18.745 6.236 7.318 1.00 62.21 O ATOM 2107 CB LYS B 608 -19.792 8.822 6.642 1.00 33.02 C ATOM 2108 CG LYS B 608 -19.942 10.061 7.528 1.00 2.52 C ATOM 2109 CD LYS B 608 -21.357 10.633 7.435 1.00 35.40 C ATOM 2110 CE LYS B 608 -21.346 12.154 7.614 1.00 71.52 C ATOM 2111 NZ LYS B 608 -20.323 12.551 8.607 1.00 1.31 N ATOM 0 H LYS B 608 -16.986 9.528 5.278 1.00 54.41 H new ATOM 0 HA LYS B 608 -17.797 8.917 7.304 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -20.235 9.014 5.665 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -20.339 7.988 7.082 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -19.718 9.802 8.563 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -19.219 10.819 7.225 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -21.793 10.380 6.468 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -21.988 10.178 8.198 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -21.141 12.637 6.659 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -22.329 12.495 7.939 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -20.560 13.487 8.994 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -20.299 11.854 9.378 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -19.391 12.592 8.148 1.00 1.31 H new ATOM 2125 N GLN B 609 -17.059 6.491 5.831 1.00 50.12 N ATOM 2126 CA GLN B 609 -16.696 5.085 5.833 1.00 30.54 C ATOM 2127 C GLN B 609 -16.813 4.507 7.244 1.00 50.42 C ATOM 2128 O GLN B 609 -16.717 5.239 8.228 1.00 51.34 O ATOM 2129 CB GLN B 609 -15.288 4.880 5.271 1.00 75.51 C ATOM 2130 CG GLN B 609 -15.167 5.472 3.865 1.00 42.52 C ATOM 2131 CD GLN B 609 -16.321 5.006 2.974 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -16.377 3.872 2.530 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -17.234 5.944 2.739 1.00 24.14 N ATOM 0 H GLN B 609 -16.492 7.077 5.219 1.00 50.12 H new ATOM 0 HA GLN B 609 -17.391 4.551 5.185 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -14.558 5.348 5.931 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -15.055 3.815 5.242 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -15.164 6.560 3.924 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -14.217 5.174 3.421 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -17.125 6.874 3.143 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -18.043 5.733 2.155 1.00 24.14 H new ATOM 2142 N GLU B 610 -17.018 3.200 7.299 1.00 74.31 N ATOM 2143 CA GLU B 610 -17.150 2.514 8.574 1.00 25.44 C ATOM 2144 C GLU B 610 -15.956 2.838 9.475 1.00 44.11 C ATOM 2145 O GLU B 610 -15.121 3.672 9.129 1.00 14.02 O ATOM 2146 CB GLU B 610 -17.292 1.004 8.373 1.00 15.33 C ATOM 2147 CG GLU B 610 -15.942 0.365 8.046 1.00 10.24 C ATOM 2148 CD GLU B 610 -16.123 -0.887 7.186 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -15.321 -1.828 7.284 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -17.140 -0.862 6.392 1.00 64.00 O ATOM 0 H GLU B 610 -17.096 2.596 6.481 1.00 74.31 H new ATOM 0 HA GLU B 610 -18.057 2.868 9.063 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -17.704 0.551 9.275 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -17.997 0.806 7.566 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -15.313 1.084 7.521 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -15.425 0.105 8.970 1.00 10.24 H new ATOM 2158 N VAL B 611 -15.914 2.159 10.613 1.00 40.31 N ATOM 2159 CA VAL B 611 -14.836 2.365 11.566 1.00 23.14 C ATOM 2160 C VAL B 611 -14.764 1.165 12.513 1.00 74.53 C ATOM 2161 O VAL B 611 -15.701 0.907 13.266 1.00 54.30 O ATOM 2162 CB VAL B 611 -15.030 3.694 12.299 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -14.555 4.867 11.440 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -16.489 3.878 12.722 1.00 41.14 C ATOM 0 H VAL B 611 -16.608 1.467 10.896 1.00 40.31 H new ATOM 0 HA VAL B 611 -13.878 2.432 11.050 1.00 23.14 H new ATOM 0 HB VAL B 611 -14.420 3.672 13.202 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -14.704 5.800 11.984 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -13.496 4.745 11.211 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -15.126 4.893 10.512 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -16.600 4.830 13.241 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -17.128 3.869 11.839 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -16.780 3.066 13.388 1.00 41.14 H new ATOM 2174 N GLU B 612 -13.643 0.463 12.442 1.00 53.42 N ATOM 2175 CA GLU B 612 -13.435 -0.703 13.283 1.00 32.05 C ATOM 2176 C GLU B 612 -12.375 -0.410 14.345 1.00 35.50 C ATOM 2177 O GLU B 612 -12.705 -0.121 15.496 1.00 5.21 O ATOM 2178 CB GLU B 612 -13.048 -1.923 12.446 1.00 3.50 C ATOM 2179 CG GLU B 612 -12.546 -1.501 11.062 1.00 33.52 C ATOM 2180 CD GLU B 612 -12.233 -2.723 10.196 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -11.103 -3.234 10.229 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -13.213 -3.142 9.470 1.00 41.42 O ATOM 0 H GLU B 612 -12.869 0.680 11.814 1.00 53.42 H new ATOM 0 HA GLU B 612 -14.374 -0.933 13.787 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -12.273 -2.491 12.961 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -13.909 -2.583 12.339 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -13.299 -0.886 10.570 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -11.652 -0.887 11.167 1.00 33.52 H new ATOM 2190 N ARG B 613 -11.121 -0.493 13.924 1.00 12.02 N ATOM 2191 CA ARG B 613 -10.009 -0.240 14.825 1.00 41.35 C ATOM 2192 C ARG B 613 -9.226 0.992 14.370 1.00 24.23 C ATOM 2193 O ARG B 613 -8.698 1.736 15.194 1.00 43.52 O ATOM 2194 CB ARG B 613 -9.064 -1.443 14.885 1.00 13.42 C ATOM 2195 CG ARG B 613 -9.082 -2.220 13.567 1.00 61.03 C ATOM 2196 CD ARG B 613 -8.226 -3.484 13.664 1.00 71.31 C ATOM 2197 NE ARG B 613 -8.617 -4.444 12.607 1.00 61.42 N ATOM 2198 CZ ARG B 613 -8.127 -5.697 12.504 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -7.221 -6.154 13.395 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -8.548 -6.469 11.520 1.00 25.13 N ATOM 0 H ARG B 613 -10.850 -0.732 12.970 1.00 12.02 H new ATOM 0 HA ARG B 613 -10.421 -0.066 15.819 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -8.050 -1.103 15.097 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -9.358 -2.101 15.703 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -10.107 -2.489 13.314 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -8.711 -1.586 12.762 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -7.172 -3.228 13.562 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -8.349 -3.942 14.646 1.00 71.31 H new ATOM 0 HE ARG B 613 -9.300 -4.139 11.913 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -6.902 -5.551 14.153 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -6.856 -7.103 13.310 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -9.233 -6.116 10.852 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -8.188 -7.419 11.427 1.00 25.13 H new ATOM 2214 N LEU B 614 -9.178 1.172 13.058 1.00 54.24 N ATOM 2215 CA LEU B 614 -8.470 2.303 12.483 1.00 61.12 C ATOM 2216 C LEU B 614 -9.481 3.281 11.880 1.00 40.40 C ATOM 2217 O LEU B 614 -10.689 3.107 12.039 1.00 75.01 O ATOM 2218 CB LEU B 614 -7.412 1.822 11.487 1.00 22.24 C ATOM 2219 CG LEU B 614 -7.926 0.993 10.310 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -8.287 1.889 9.124 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -6.920 -0.093 9.922 1.00 23.23 C ATOM 0 H LEU B 614 -9.618 0.553 12.377 1.00 54.24 H new ATOM 0 HA LEU B 614 -7.925 2.844 13.257 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -6.891 2.694 11.091 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -6.675 1.229 12.029 1.00 22.24 H new ATOM 0 HG LEU B 614 -8.840 0.488 10.622 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -8.650 1.274 8.300 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -9.065 2.592 9.422 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -7.404 2.441 8.803 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -7.311 -0.668 9.082 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -5.976 0.371 9.636 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -6.756 -0.757 10.771 1.00 23.23 H new ATOM 2233 N GLY B 615 -8.951 4.287 11.202 1.00 40.14 N ATOM 2234 CA GLY B 615 -9.792 5.293 10.576 1.00 55.23 C ATOM 2235 C GLY B 615 -8.967 6.214 9.674 1.00 22.31 C ATOM 2236 O GLY B 615 -8.545 5.812 8.591 1.00 54.11 O ATOM 0 H GLY B 615 -7.949 4.428 11.072 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -10.571 4.807 9.989 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -10.292 5.883 11.344 1.00 55.23 H new ATOM 2240 N ASN B 616 -8.762 7.431 10.156 1.00 44.14 N ATOM 2241 CA ASN B 616 -7.994 8.412 9.407 1.00 32.45 C ATOM 2242 C ASN B 616 -6.798 7.723 8.749 1.00 32.00 C ATOM 2243 O ASN B 616 -6.725 7.632 7.525 1.00 44.11 O ATOM 2244 CB ASN B 616 -7.461 9.512 10.327 1.00 34.14 C ATOM 2245 CG ASN B 616 -7.221 10.807 9.550 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -7.967 11.769 9.650 1.00 73.32 O ATOM 2247 ND2 ASN B 616 -6.142 10.782 8.773 1.00 63.11 N ATOM 0 H ASN B 616 -9.114 7.760 11.055 1.00 44.14 H new ATOM 0 HA ASN B 616 -8.651 8.855 8.659 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -8.172 9.694 11.133 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -6.531 9.184 10.791 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -5.896 11.600 8.215 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -5.560 9.945 8.735 1.00 63.11 H new ATOM 2254 N ASP B 617 -5.888 7.257 9.591 1.00 35.43 N ATOM 2255 CA ASP B 617 -4.696 6.578 9.108 1.00 0.54 C ATOM 2256 C ASP B 617 -4.996 5.087 8.942 1.00 31.41 C ATOM 2257 O ASP B 617 -6.154 4.674 8.986 1.00 64.21 O ATOM 2258 CB ASP B 617 -3.540 6.722 10.098 1.00 3.41 C ATOM 2259 CG ASP B 617 -3.565 7.998 10.941 1.00 34.00 C ATOM 2260 OD1 ASP B 617 -3.854 9.093 10.436 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -3.268 7.835 12.186 1.00 32.53 O ATOM 0 H ASP B 617 -5.951 7.336 10.606 1.00 35.43 H new ATOM 0 HA ASP B 617 -4.413 7.029 8.157 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -3.546 5.862 10.768 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -2.601 6.689 9.545 1.00 3.41 H new ATOM 2267 N VAL B 618 -3.932 4.321 8.756 1.00 60.45 N ATOM 2268 CA VAL B 618 -4.066 2.884 8.584 1.00 71.01 C ATOM 2269 C VAL B 618 -3.584 2.175 9.852 1.00 52.14 C ATOM 2270 O VAL B 618 -4.153 1.163 10.257 1.00 72.10 O ATOM 2271 CB VAL B 618 -3.318 2.435 7.327 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -4.202 2.574 6.086 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -2.011 3.211 7.160 1.00 73.24 C ATOM 0 H VAL B 618 -2.973 4.668 8.721 1.00 60.45 H new ATOM 0 HA VAL B 618 -5.112 2.613 8.438 1.00 71.01 H new ATOM 0 HB VAL B 618 -3.067 1.381 7.444 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -3.647 2.249 5.206 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -5.093 1.956 6.203 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -4.497 3.616 5.964 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -1.499 2.872 6.259 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -2.228 4.276 7.075 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -1.372 3.039 8.026 1.00 73.24 H new ATOM 2283 N PHE B 619 -2.536 2.734 10.441 1.00 25.44 N ATOM 2284 CA PHE B 619 -1.970 2.169 11.653 1.00 11.22 C ATOM 2285 C PHE B 619 -2.456 2.928 12.891 1.00 72.23 C ATOM 2286 O PHE B 619 -1.803 3.867 13.344 1.00 20.52 O ATOM 2287 CB PHE B 619 -0.451 2.312 11.546 1.00 22.20 C ATOM 2288 CG PHE B 619 0.132 1.794 10.230 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -0.624 1.012 9.413 1.00 44.43 C ATOM 2290 CD2 PHE B 619 1.405 2.114 9.876 1.00 21.51 C ATOM 2291 CE1 PHE B 619 -0.084 0.531 8.191 1.00 2.14 C ATOM 2292 CE2 PHE B 619 1.945 1.635 8.654 1.00 51.22 C ATOM 2293 CZ PHE B 619 1.189 0.853 7.837 1.00 0.11 C ATOM 0 H PHE B 619 -2.065 3.572 10.101 1.00 25.44 H new ATOM 0 HA PHE B 619 -2.275 1.127 11.755 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -0.187 3.363 11.660 1.00 22.20 H new ATOM 0 HB3 PHE B 619 0.013 1.775 12.373 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.635 0.757 9.694 1.00 44.43 H new ATOM 0 HD2 PHE B 619 2.006 2.733 10.525 1.00 21.51 H new ATOM 0 HE1 PHE B 619 -0.684 -0.090 7.543 1.00 2.14 H new ATOM 0 HE2 PHE B 619 2.956 1.891 8.373 1.00 51.22 H new ATOM 0 HZ PHE B 619 1.600 0.488 6.907 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.596 2.491 13.404 1.00 25.21 N ATOM 2304 CA GLU B 620 -4.177 3.117 14.579 1.00 20.41 C ATOM 2305 C GLU B 620 -4.156 2.147 15.762 1.00 10.51 C ATOM 2306 O GLU B 620 -4.919 2.304 16.713 1.00 10.54 O ATOM 2307 CB GLU B 620 -5.599 3.603 14.295 1.00 32.30 C ATOM 2308 CG GLU B 620 -5.726 4.122 12.861 1.00 52.04 C ATOM 2309 CD GLU B 620 -4.951 5.429 12.680 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -5.499 6.406 12.147 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -3.738 5.408 13.119 1.00 53.42 O ATOM 0 H GLU B 620 -4.133 1.710 13.027 1.00 25.21 H new ATOM 0 HA GLU B 620 -3.575 3.988 14.837 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -6.304 2.787 14.454 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -5.863 4.394 14.997 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -5.350 3.373 12.165 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -6.777 4.282 12.620 1.00 52.04 H new ATOM 2319 N TRP B 621 -3.272 1.164 15.664 1.00 11.35 N ATOM 2320 CA TRP B 621 -3.141 0.168 16.714 1.00 24.13 C ATOM 2321 C TRP B 621 -1.655 -0.162 16.870 1.00 42.02 C ATOM 2322 O TRP B 621 -0.802 0.516 16.299 1.00 11.11 O ATOM 2323 CB TRP B 621 -3.999 -1.063 16.413 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.504 -1.891 15.225 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -2.371 -2.600 15.128 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -4.176 -2.067 13.960 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -2.264 -3.218 13.900 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -3.397 -2.884 13.166 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -5.403 -1.554 13.503 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -3.758 -3.261 11.867 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -5.748 -1.939 12.202 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -4.975 -2.761 11.390 1.00 64.22 C ATOM 0 H TRP B 621 -2.640 1.036 14.874 1.00 11.35 H new ATOM 0 HA TRP B 621 -3.513 0.556 17.662 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -4.028 -1.698 17.298 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -5.022 -0.741 16.218 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -1.634 -2.678 15.913 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -1.495 -3.811 13.587 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -6.029 -0.914 14.107 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -3.131 -3.903 11.266 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -6.681 -1.571 11.801 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -5.312 -3.013 10.395 1.00 64.22 H new ATOM 2343 N GLU B 622 -1.392 -1.204 17.644 1.00 25.53 N ATOM 2344 CA GLU B 622 -0.023 -1.632 17.882 1.00 41.33 C ATOM 2345 C GLU B 622 0.710 -1.827 16.554 1.00 13.42 C ATOM 2346 O GLU B 622 0.168 -1.527 15.491 1.00 1.24 O ATOM 2347 CB GLU B 622 0.012 -2.912 18.721 1.00 62.13 C ATOM 2348 CG GLU B 622 -0.916 -3.977 18.134 1.00 34.31 C ATOM 2349 CD GLU B 622 -0.678 -5.337 18.796 1.00 41.32 C ATOM 2350 OE1 GLU B 622 -1.530 -5.812 19.562 1.00 64.15 O ATOM 2351 OE2 GLU B 622 0.438 -5.904 18.488 1.00 44.04 O ATOM 0 H GLU B 622 -2.102 -1.765 18.114 1.00 25.53 H new ATOM 0 HA GLU B 622 0.489 -0.852 18.446 1.00 41.33 H new ATOM 0 HB2 GLU B 622 1.031 -3.296 18.763 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -0.287 -2.688 19.745 1.00 62.13 H new ATOM 0 HG2 GLU B 622 -1.954 -3.677 18.274 1.00 34.31 H new ATOM 0 HG3 GLU B 622 -0.750 -4.057 17.060 1.00 34.31 H new ATOM 2359 N ASP B 623 1.932 -2.327 16.657 1.00 21.43 N ATOM 2360 CA ASP B 623 2.747 -2.564 15.477 1.00 72.32 C ATOM 2361 C ASP B 623 2.545 -1.418 14.484 1.00 14.13 C ATOM 2362 O ASP B 623 1.653 -1.473 13.640 1.00 14.44 O ATOM 2363 CB ASP B 623 2.345 -3.867 14.783 1.00 24.22 C ATOM 2364 CG ASP B 623 2.726 -5.144 15.535 1.00 54.21 C ATOM 2365 OD1 ASP B 623 3.914 -5.445 15.720 1.00 4.31 O ATOM 2366 OD2 ASP B 623 1.730 -5.855 15.942 1.00 14.51 O ATOM 0 H ASP B 623 2.378 -2.575 17.540 1.00 21.43 H new ATOM 0 HA ASP B 623 3.788 -2.630 15.794 1.00 72.32 H new ATOM 0 HB2 ASP B 623 1.266 -3.862 14.630 1.00 24.22 H new ATOM 0 HB3 ASP B 623 2.807 -3.893 13.796 1.00 24.22 H new ATOM 2372 N ASP B 624 3.389 -0.405 14.619 1.00 63.21 N ATOM 2373 CA ASP B 624 3.314 0.754 13.744 1.00 2.44 C ATOM 2374 C ASP B 624 4.095 0.468 12.460 1.00 5.53 C ATOM 2375 O ASP B 624 3.605 0.725 11.361 1.00 43.52 O ATOM 2376 CB ASP B 624 3.930 1.986 14.409 1.00 43.24 C ATOM 2377 CG ASP B 624 3.642 3.313 13.703 1.00 11.11 C ATOM 2378 OD1 ASP B 624 4.321 3.680 12.733 1.00 61.32 O ATOM 2379 OD2 ASP B 624 2.660 3.990 14.195 1.00 24.20 O ATOM 0 H ASP B 624 4.128 -0.363 15.321 1.00 63.21 H new ATOM 0 HA ASP B 624 2.263 0.948 13.529 1.00 2.44 H new ATOM 0 HB2 ASP B 624 3.563 2.049 15.433 1.00 43.24 H new ATOM 0 HB3 ASP B 624 5.010 1.848 14.465 1.00 43.24 H new ATOM 2385 N GLU B 625 5.296 -0.061 12.641 1.00 20.02 N ATOM 2386 CA GLU B 625 6.149 -0.383 11.509 1.00 44.10 C ATOM 2387 C GLU B 625 6.705 -1.802 11.651 1.00 71.11 C ATOM 2388 O GLU B 625 7.608 -2.196 10.915 1.00 31.20 O ATOM 2389 CB GLU B 625 7.282 0.637 11.367 1.00 13.31 C ATOM 2390 CG GLU B 625 7.993 0.857 12.705 1.00 75.10 C ATOM 2391 CD GLU B 625 9.452 1.262 12.488 1.00 32.24 C ATOM 2392 OE1 GLU B 625 10.065 0.859 11.489 1.00 75.01 O ATOM 2393 OE2 GLU B 625 9.947 2.024 13.403 1.00 11.44 O ATOM 0 H GLU B 625 5.699 -0.275 13.553 1.00 20.02 H new ATOM 0 HA GLU B 625 5.547 -0.337 10.601 1.00 44.10 H new ATOM 0 HB2 GLU B 625 7.999 0.289 10.623 1.00 13.31 H new ATOM 0 HB3 GLU B 625 6.881 1.583 11.004 1.00 13.31 H new ATOM 0 HG2 GLU B 625 7.477 1.631 13.272 1.00 75.10 H new ATOM 0 HG3 GLU B 625 7.949 -0.056 13.299 1.00 75.10 H new ATOM 2401 N SER B 626 6.142 -2.530 12.605 1.00 3.43 N ATOM 2402 CA SER B 626 6.570 -3.897 12.852 1.00 72.44 C ATOM 2403 C SER B 626 6.864 -4.603 11.528 1.00 60.04 C ATOM 2404 O SER B 626 6.287 -4.261 10.496 1.00 70.54 O ATOM 2405 CB SER B 626 5.513 -4.670 13.642 1.00 35.15 C ATOM 2406 OG SER B 626 5.863 -6.042 13.801 1.00 4.03 O ATOM 0 H SER B 626 5.394 -2.200 13.215 1.00 3.43 H new ATOM 0 HA SER B 626 7.482 -3.866 13.449 1.00 72.44 H new ATOM 0 HB2 SER B 626 5.387 -4.212 14.623 1.00 35.15 H new ATOM 0 HB3 SER B 626 4.553 -4.598 13.131 1.00 35.15 H new ATOM 0 HG SER B 626 5.330 -6.434 14.524 1.00 4.03 H new ATOM 2412 N ASP B 627 7.761 -5.574 11.597 1.00 24.54 N ATOM 2413 CA ASP B 627 8.139 -6.330 10.416 1.00 32.12 C ATOM 2414 C ASP B 627 7.209 -7.536 10.268 1.00 14.14 C ATOM 2415 O ASP B 627 7.506 -8.467 9.521 1.00 24.25 O ATOM 2416 CB ASP B 627 9.574 -6.851 10.529 1.00 1.41 C ATOM 2417 CG ASP B 627 9.855 -7.705 11.767 1.00 61.45 C ATOM 2418 OD1 ASP B 627 8.954 -7.975 12.576 1.00 61.00 O ATOM 2419 OD2 ASP B 627 11.075 -8.105 11.888 1.00 21.33 O ATOM 0 H ASP B 627 8.238 -5.855 12.454 1.00 24.54 H new ATOM 0 HA ASP B 627 8.063 -5.667 9.554 1.00 32.12 H new ATOM 0 HB2 ASP B 627 9.802 -7.440 9.640 1.00 1.41 H new ATOM 0 HB3 ASP B 627 10.255 -6.000 10.531 1.00 1.41 H new ATOM 2425 N GLU B 628 6.102 -7.481 10.995 1.00 14.44 N ATOM 2426 CA GLU B 628 5.126 -8.558 10.954 1.00 65.14 C ATOM 2427 C GLU B 628 4.253 -8.436 9.703 1.00 32.14 C ATOM 2428 O GLU B 628 3.418 -9.299 9.438 1.00 70.04 O ATOM 2429 CB GLU B 628 4.270 -8.568 12.222 1.00 14.41 C ATOM 2430 CG GLU B 628 3.401 -7.313 12.308 1.00 3.20 C ATOM 2431 CD GLU B 628 2.245 -7.511 13.291 1.00 42.30 C ATOM 2432 OE1 GLU B 628 1.074 -7.400 12.901 1.00 1.42 O ATOM 2433 OE2 GLU B 628 2.601 -7.791 14.499 1.00 3.33 O ATOM 0 H GLU B 628 5.859 -6.708 11.615 1.00 14.44 H new ATOM 0 HA GLU B 628 5.661 -9.507 10.908 1.00 65.14 H new ATOM 0 HB2 GLU B 628 3.636 -9.455 12.230 1.00 14.41 H new ATOM 0 HB3 GLU B 628 4.914 -8.629 13.099 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.010 -6.466 12.624 1.00 3.20 H new ATOM 0 HG3 GLU B 628 3.006 -7.072 11.321 1.00 3.20 H new ATOM 2441 N ILE B 629 4.477 -7.357 8.968 1.00 24.41 N ATOM 2442 CA ILE B 629 3.721 -7.112 7.751 1.00 43.42 C ATOM 2443 C ILE B 629 4.643 -7.275 6.541 1.00 31.11 C ATOM 2444 O ILE B 629 4.393 -6.698 5.484 1.00 23.45 O ATOM 2445 CB ILE B 629 3.028 -5.748 7.816 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.817 -4.775 8.695 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.577 -5.893 8.279 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.156 -4.416 8.050 1.00 61.41 C ATOM 0 H ILE B 629 5.170 -6.643 9.191 1.00 24.41 H new ATOM 0 HA ILE B 629 2.922 -7.846 7.645 1.00 43.42 H new ATOM 0 HB ILE B 629 3.004 -5.327 6.811 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.233 -3.869 8.856 1.00 52.51 H new ATOM 0 HG13 ILE B 629 3.989 -5.222 9.674 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.107 -4.910 8.317 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.034 -6.528 7.580 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.555 -6.344 9.271 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.697 -3.723 8.695 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.748 -5.321 7.913 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.979 -3.947 7.082 1.00 61.41 H new ATOM 2460 N ALA B 630 5.687 -8.066 6.736 1.00 41.41 N ATOM 2461 CA ALA B 630 6.648 -8.314 5.673 1.00 34.31 C ATOM 2462 C ALA B 630 6.058 -9.320 4.683 1.00 73.25 C ATOM 2463 O ALA B 630 6.786 -9.923 3.898 1.00 11.20 O ATOM 2464 CB ALA B 630 7.966 -8.797 6.280 1.00 15.34 C ATOM 0 H ALA B 630 5.889 -8.544 7.614 1.00 41.41 H new ATOM 0 HA ALA B 630 6.859 -7.396 5.124 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.687 -8.983 5.484 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.358 -8.034 6.953 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.794 -9.718 6.836 1.00 15.34 H new TER 2470 ALA B 630