USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1127 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 90 SER OG : rot -35:sc= 0.722 USER MOD Set 1.2: A 92 SER OG : rot -67:sc= 0.753 USER MOD Set 2.1: A 43 GLN :FLIP amide:sc= 0.481 F(o=-3.9,f=0.13) USER MOD Set 2.2: A 77 GLN :FLIP amide:sc= -0.352 F(o=-2.9!,f=0.13) USER MOD Single : A 0 SER N :NH3+ 172:sc= -0.192 (180deg=-0.309) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -2.11! (180deg=-4.46!) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.08 F(o=-3.4,f=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.22) USER MOD Single : A 26 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.9!) USER MOD Single : A 27 HIS : no HE2:sc= -4.75! C(o=-4.7!,f=-5.8!) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.122 (180deg=-1.64!) USER MOD Single : A 57 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-6.8!) USER MOD Single : A 59 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.73) USER MOD Single : A 60 MET CE :methyl 160:sc= -8.7! (180deg=-10!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00915 X(o=-0.0091,f=-0.37) USER MOD Single : A 74 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.2!) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.57! C(o=-4.1!,f=-3.6!) USER MOD Single : A 84 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.3!) USER MOD Single : A 86 HIS : no HD1:sc= -10.2! C(o=-10!,f=-13!) USER MOD Single : A 87 SER OG : rot -172:sc= -0.251 USER MOD Single : A 88 MET CE :methyl 142:sc= -1.6 (180deg=-2.33!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 170:sc= -0.0168 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0647 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 166:sc= 0.544 USER MOD Single : A 111 MET CE :methyl -129:sc= -6.03! (180deg=-9.76!) USER MOD Single : A 113 TYR OH : rot 22:sc= 0.933 USER MOD Single : A 115 SER OG : rot 63:sc= 1.14 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 332 SER OG : rot 46:sc= 0.481 USER MOD Single : B 339 THR OG1 : rot -70:sc= -1.36 USER MOD Single : B 340 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : B 342 SER OG : rot 160:sc= 0 USER MOD Single : B 343 SER OG : rot 180:sc= 0 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.047 -14.082 1.075 1.00 13.40 N ATOM 2 CA SER A 0 -23.993 -14.704 0.292 1.00 44.32 C ATOM 3 C SER A 0 -22.708 -13.880 0.396 1.00 24.50 C ATOM 4 O SER A 0 -21.744 -14.133 -0.324 1.00 54.43 O ATOM 5 CB SER A 0 -24.411 -14.855 -1.172 1.00 50.33 C ATOM 6 OG SER A 0 -24.595 -13.592 -1.807 1.00 54.05 O ATOM 0 H1 SER A 0 -25.948 -14.568 0.892 1.00 13.40 H new ATOM 0 H2 SER A 0 -24.815 -14.151 2.086 1.00 13.40 H new ATOM 0 H3 SER A 0 -25.134 -13.081 0.807 1.00 13.40 H new ATOM 0 HA SER A 0 -23.811 -15.701 0.694 1.00 44.32 H new ATOM 0 HB2 SER A 0 -23.652 -15.424 -1.709 1.00 50.33 H new ATOM 0 HB3 SER A 0 -25.337 -15.427 -1.228 1.00 50.33 H new ATOM 0 HG SER A 0 -24.860 -13.731 -2.740 1.00 54.05 H new ATOM 13 N MET A 1 -22.737 -12.911 1.298 1.00 31.35 N ATOM 14 CA MET A 1 -21.586 -12.047 1.505 1.00 61.55 C ATOM 15 C MET A 1 -20.992 -11.595 0.170 1.00 74.03 C ATOM 16 O MET A 1 -20.189 -12.308 -0.430 1.00 34.20 O ATOM 17 CB MET A 1 -20.523 -12.798 2.309 1.00 3.04 C ATOM 18 CG MET A 1 -21.166 -13.683 3.379 1.00 13.42 C ATOM 19 SD MET A 1 -21.467 -15.315 2.721 1.00 33.40 S ATOM 20 CE MET A 1 -22.126 -16.118 4.172 1.00 2.42 C ATOM 0 H MET A 1 -23.539 -12.704 1.894 1.00 31.35 H new ATOM 0 HA MET A 1 -21.912 -11.163 2.053 1.00 61.55 H new ATOM 0 HB2 MET A 1 -19.921 -13.412 1.638 1.00 3.04 H new ATOM 0 HB3 MET A 1 -19.847 -12.084 2.781 1.00 3.04 H new ATOM 0 HG2 MET A 1 -20.513 -13.748 4.250 1.00 13.42 H new ATOM 0 HG3 MET A 1 -22.103 -13.239 3.715 1.00 13.42 H new ATOM 0 HE1 MET A 1 -22.369 -17.154 3.936 1.00 2.42 H new ATOM 0 HE2 MET A 1 -21.384 -16.092 4.970 1.00 2.42 H new ATOM 0 HE3 MET A 1 -23.027 -15.599 4.497 1.00 2.42 H new ATOM 30 N PRO A 2 -21.421 -10.381 -0.268 1.00 72.22 N ATOM 31 CA PRO A 2 -20.940 -9.824 -1.521 1.00 32.22 C ATOM 32 C PRO A 2 -19.508 -9.305 -1.378 1.00 33.04 C ATOM 33 O PRO A 2 -19.296 -8.126 -1.101 1.00 20.31 O ATOM 34 CB PRO A 2 -21.935 -8.731 -1.874 1.00 4.41 C ATOM 35 CG PRO A 2 -22.668 -8.403 -0.583 1.00 61.45 C ATOM 36 CD PRO A 2 -22.370 -9.508 0.416 1.00 64.53 C ATOM 0 HA PRO A 2 -20.885 -10.567 -2.317 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -21.426 -7.852 -2.268 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -22.630 -9.069 -2.643 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -22.342 -7.438 -0.194 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -23.741 -8.329 -0.761 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -21.946 -9.106 1.336 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -23.276 -10.047 0.692 1.00 64.53 H new ATOM 44 N SER A 3 -18.562 -10.213 -1.572 1.00 54.55 N ATOM 45 CA SER A 3 -17.156 -9.861 -1.469 1.00 22.24 C ATOM 46 C SER A 3 -16.300 -10.907 -2.187 1.00 14.34 C ATOM 47 O SER A 3 -16.828 -11.860 -2.758 1.00 50.13 O ATOM 48 CB SER A 3 -16.726 -9.737 -0.005 1.00 33.41 C ATOM 49 OG SER A 3 -15.552 -8.943 0.141 1.00 60.34 O ATOM 0 H SER A 3 -18.742 -11.191 -1.800 1.00 54.55 H new ATOM 0 HA SER A 3 -17.010 -8.892 -1.947 1.00 22.24 H new ATOM 0 HB2 SER A 3 -17.537 -9.296 0.575 1.00 33.41 H new ATOM 0 HB3 SER A 3 -16.545 -10.731 0.405 1.00 33.41 H new ATOM 0 HG SER A 3 -15.311 -8.887 1.089 1.00 60.34 H new ATOM 55 N GLU A 4 -14.994 -10.694 -2.133 1.00 34.45 N ATOM 56 CA GLU A 4 -14.061 -11.606 -2.772 1.00 54.11 C ATOM 57 C GLU A 4 -12.843 -11.834 -1.875 1.00 11.33 C ATOM 58 O GLU A 4 -12.508 -10.985 -1.049 1.00 33.54 O ATOM 59 CB GLU A 4 -13.638 -11.085 -4.148 1.00 54.23 C ATOM 60 CG GLU A 4 -12.496 -10.074 -4.024 1.00 71.21 C ATOM 61 CD GLU A 4 -12.229 -9.383 -5.363 1.00 41.21 C ATOM 62 OE1 GLU A 4 -11.081 -9.357 -5.828 1.00 71.45 O ATOM 63 OE2 GLU A 4 -13.267 -8.860 -5.923 1.00 44.24 O ATOM 0 H GLU A 4 -14.560 -9.903 -1.657 1.00 34.45 H new ATOM 0 HA GLU A 4 -14.563 -12.562 -2.921 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -13.324 -11.919 -4.776 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -14.490 -10.618 -4.642 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -12.746 -9.328 -3.269 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -11.592 -10.580 -3.685 1.00 71.21 H new ATOM 71 N LYS A 5 -12.213 -12.984 -2.066 1.00 65.13 N ATOM 72 CA LYS A 5 -11.039 -13.333 -1.283 1.00 64.22 C ATOM 73 C LYS A 5 -10.012 -12.204 -1.382 1.00 42.21 C ATOM 74 O LYS A 5 -10.292 -11.152 -1.953 1.00 42.45 O ATOM 75 CB LYS A 5 -10.497 -14.698 -1.713 1.00 3.33 C ATOM 76 CG LYS A 5 -11.251 -15.832 -1.016 1.00 34.13 C ATOM 77 CD LYS A 5 -10.974 -15.833 0.489 1.00 12.43 C ATOM 78 CE LYS A 5 -11.398 -17.158 1.124 1.00 30.32 C ATOM 79 NZ LYS A 5 -12.823 -17.108 1.524 1.00 30.40 N ATOM 0 H LYS A 5 -12.493 -13.686 -2.751 1.00 65.13 H new ATOM 0 HA LYS A 5 -11.299 -13.436 -0.229 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -10.589 -14.806 -2.794 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -9.435 -14.763 -1.476 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -12.321 -15.724 -1.192 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -10.953 -16.789 -1.445 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -9.912 -15.664 0.667 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -11.511 -15.011 0.962 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -11.241 -17.973 0.418 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -10.777 -17.366 1.995 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -13.095 -18.015 1.953 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -12.963 -16.343 2.214 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -13.413 -16.931 0.686 1.00 30.40 H new ATOM 92 N THR A 6 -8.841 -12.461 -0.815 1.00 33.53 N ATOM 93 CA THR A 6 -7.770 -11.479 -0.831 1.00 4.02 C ATOM 94 C THR A 6 -6.515 -12.072 -1.474 1.00 30.43 C ATOM 95 O THR A 6 -6.328 -13.287 -1.475 1.00 52.20 O ATOM 96 CB THR A 6 -7.549 -10.998 0.604 1.00 22.24 C ATOM 97 OG1 THR A 6 -7.639 -12.185 1.386 1.00 4.11 O ATOM 98 CG2 THR A 6 -8.700 -10.127 1.113 1.00 10.13 C ATOM 0 H THR A 6 -8.611 -13.335 -0.342 1.00 33.53 H new ATOM 0 HA THR A 6 -8.033 -10.615 -1.441 1.00 4.02 H new ATOM 0 HB THR A 6 -6.617 -10.436 0.659 1.00 22.24 H new ATOM 0 HG1 THR A 6 -7.506 -11.965 2.332 1.00 4.11 H new ATOM 0 HG21 THR A 6 -8.493 -9.812 2.136 1.00 10.13 H new ATOM 0 HG22 THR A 6 -8.800 -9.248 0.476 1.00 10.13 H new ATOM 0 HG23 THR A 6 -9.627 -10.700 1.090 1.00 10.13 H new ATOM 106 N PHE A 7 -5.686 -11.184 -2.003 1.00 14.25 N ATOM 107 CA PHE A 7 -4.453 -11.603 -2.648 1.00 2.32 C ATOM 108 C PHE A 7 -3.720 -12.647 -1.803 1.00 75.30 C ATOM 109 O PHE A 7 -2.954 -13.451 -2.331 1.00 5.33 O ATOM 110 CB PHE A 7 -3.571 -10.360 -2.779 1.00 22.33 C ATOM 111 CG PHE A 7 -3.595 -9.449 -1.550 1.00 1.32 C ATOM 112 CD1 PHE A 7 -2.741 -9.678 -0.517 1.00 42.21 C ATOM 113 CD2 PHE A 7 -4.470 -8.409 -1.491 1.00 23.32 C ATOM 114 CE1 PHE A 7 -2.762 -8.832 0.624 1.00 62.01 C ATOM 115 CE2 PHE A 7 -4.492 -7.563 -0.350 1.00 4.32 C ATOM 116 CZ PHE A 7 -3.638 -7.793 0.683 1.00 45.41 C ATOM 0 H PHE A 7 -5.844 -10.176 -1.998 1.00 14.25 H new ATOM 0 HA PHE A 7 -4.674 -12.049 -3.618 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -2.544 -10.674 -2.966 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -3.893 -9.788 -3.649 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -2.046 -10.504 -0.564 1.00 42.21 H new ATOM 0 HD2 PHE A 7 -5.148 -8.227 -2.312 1.00 23.32 H new ATOM 0 HE1 PHE A 7 -2.083 -9.014 1.444 1.00 62.01 H new ATOM 0 HE2 PHE A 7 -5.187 -6.737 -0.303 1.00 4.32 H new ATOM 0 HZ PHE A 7 -3.655 -7.150 1.551 1.00 45.41 H new ATOM 126 N LYS A 8 -3.981 -12.600 -0.505 1.00 44.22 N ATOM 127 CA LYS A 8 -3.355 -13.531 0.418 1.00 32.53 C ATOM 128 C LYS A 8 -4.047 -14.892 0.310 1.00 55.43 C ATOM 129 O LYS A 8 -3.387 -15.929 0.307 1.00 63.02 O ATOM 130 CB LYS A 8 -3.348 -12.957 1.836 1.00 13.04 C ATOM 131 CG LYS A 8 -4.768 -12.635 2.305 1.00 74.23 C ATOM 132 CD LYS A 8 -4.803 -12.380 3.813 1.00 43.31 C ATOM 133 CE LYS A 8 -5.103 -13.670 4.580 1.00 73.45 C ATOM 134 NZ LYS A 8 -6.564 -13.898 4.657 1.00 62.03 N ATOM 0 H LYS A 8 -4.618 -11.932 -0.071 1.00 44.22 H new ATOM 0 HA LYS A 8 -2.308 -13.682 0.155 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -2.889 -13.672 2.519 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -2.739 -12.054 1.863 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -5.139 -11.758 1.776 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -5.433 -13.462 2.057 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -3.846 -11.973 4.139 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -5.562 -11.632 4.042 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -4.622 -14.514 4.086 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -4.685 -13.609 5.585 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -6.753 -14.918 4.728 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -6.947 -13.416 5.495 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -7.020 -13.520 3.802 1.00 62.03 H new ATOM 147 N GLN A 9 -5.369 -14.843 0.224 1.00 11.21 N ATOM 148 CA GLN A 9 -6.157 -16.058 0.116 1.00 54.31 C ATOM 149 C GLN A 9 -6.353 -16.435 -1.354 1.00 44.42 C ATOM 150 O GLN A 9 -5.844 -17.458 -1.810 1.00 24.31 O ATOM 151 CB GLN A 9 -7.503 -15.904 0.826 1.00 22.42 C ATOM 152 CG GLN A 9 -7.312 -15.751 2.336 1.00 2.22 C ATOM 153 CD GLN A 9 -6.380 -16.834 2.883 1.00 30.23 C ATOM 154 OE1 GLN A 9 -5.092 -16.507 2.850 1.00 60.23 O flip ATOM 155 NE2 GLN A 9 -6.803 -17.897 3.308 1.00 51.32 N flip ATOM 0 H GLN A 9 -5.913 -13.980 0.227 1.00 11.21 H new ATOM 0 HA GLN A 9 -5.614 -16.864 0.609 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -8.028 -15.034 0.432 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -8.128 -16.773 0.621 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -6.900 -14.766 2.556 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -8.278 -15.811 2.836 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -7.806 -18.085 3.305 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -6.154 -18.598 3.666 1.00 51.32 H new ATOM 164 N ARG A 10 -7.091 -15.588 -2.056 1.00 33.32 N ATOM 165 CA ARG A 10 -7.360 -15.819 -3.466 1.00 63.54 C ATOM 166 C ARG A 10 -6.076 -16.228 -4.191 1.00 21.45 C ATOM 167 O ARG A 10 -5.900 -17.395 -4.538 1.00 12.11 O ATOM 168 CB ARG A 10 -7.936 -14.567 -4.129 1.00 14.11 C ATOM 169 CG ARG A 10 -8.246 -14.821 -5.605 1.00 62.12 C ATOM 170 CD ARG A 10 -9.315 -15.906 -5.760 1.00 31.52 C ATOM 171 NE ARG A 10 -9.583 -16.150 -7.196 1.00 21.25 N ATOM 172 CZ ARG A 10 -8.714 -16.753 -8.036 1.00 24.41 C ATOM 173 NH1 ARG A 10 -7.513 -17.178 -7.591 1.00 13.41 N ATOM 174 NH2 ARG A 10 -9.058 -16.920 -9.300 1.00 1.04 N ATOM 0 H ARG A 10 -7.511 -14.740 -1.675 1.00 33.32 H new ATOM 0 HA ARG A 10 -8.093 -16.623 -3.537 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -8.845 -14.262 -3.610 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -7.226 -13.745 -4.039 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -8.588 -13.898 -6.073 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -7.337 -15.124 -6.125 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -8.982 -16.827 -5.282 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -10.232 -15.599 -5.257 1.00 31.52 H new ATOM 0 HE ARG A 10 -10.479 -15.844 -7.574 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -7.255 -17.045 -6.613 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -6.863 -17.632 -8.232 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -9.968 -16.596 -9.628 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -8.414 -17.373 -9.948 1.00 1.04 H new ATOM 187 N ARG A 11 -5.213 -15.245 -4.399 1.00 45.45 N ATOM 188 CA ARG A 11 -3.951 -15.487 -5.077 1.00 60.44 C ATOM 189 C ARG A 11 -3.100 -16.474 -4.276 1.00 23.52 C ATOM 190 O ARG A 11 -3.197 -16.533 -3.052 1.00 70.40 O ATOM 191 CB ARG A 11 -3.169 -14.186 -5.265 1.00 33.13 C ATOM 192 CG ARG A 11 -3.378 -13.619 -6.670 1.00 63.31 C ATOM 193 CD ARG A 11 -4.769 -12.994 -6.807 1.00 62.03 C ATOM 194 NE ARG A 11 -5.274 -13.183 -8.185 1.00 52.54 N ATOM 195 CZ ARG A 11 -5.040 -12.326 -9.201 1.00 14.32 C ATOM 196 NH1 ARG A 11 -4.303 -11.212 -9.003 1.00 51.33 N ATOM 197 NH2 ARG A 11 -5.540 -12.593 -10.394 1.00 0.21 N ATOM 0 H ARG A 11 -5.363 -14.278 -4.110 1.00 45.45 H new ATOM 0 HA ARG A 11 -4.176 -15.907 -6.057 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -3.489 -13.455 -4.523 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -2.108 -14.368 -5.097 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -2.616 -12.869 -6.881 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -3.257 -14.412 -7.408 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -5.454 -13.452 -6.094 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -4.724 -11.931 -6.570 1.00 62.03 H new ATOM 0 HE ARG A 11 -5.834 -14.013 -8.379 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -3.918 -11.013 -8.080 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -4.131 -10.570 -9.777 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -6.094 -13.437 -10.537 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -5.372 -11.955 -11.172 1.00 0.21 H new ATOM 210 N SER A 12 -2.284 -17.227 -5.001 1.00 42.14 N ATOM 211 CA SER A 12 -1.417 -18.209 -4.373 1.00 40.31 C ATOM 212 C SER A 12 -0.196 -17.517 -3.767 1.00 43.33 C ATOM 213 O SER A 12 0.427 -16.673 -4.409 1.00 14.04 O ATOM 214 CB SER A 12 -0.978 -19.277 -5.377 1.00 20.01 C ATOM 215 OG SER A 12 -1.952 -19.484 -6.397 1.00 61.51 O ATOM 0 H SER A 12 -2.206 -17.176 -6.017 1.00 42.14 H new ATOM 0 HA SER A 12 -1.978 -18.703 -3.579 1.00 40.31 H new ATOM 0 HB2 SER A 12 -0.034 -18.980 -5.833 1.00 20.01 H new ATOM 0 HB3 SER A 12 -0.797 -20.215 -4.852 1.00 20.01 H new ATOM 0 HG SER A 12 -1.634 -20.172 -7.019 1.00 61.51 H new ATOM 221 N PHE A 13 0.111 -17.900 -2.535 1.00 41.44 N ATOM 222 CA PHE A 13 1.248 -17.326 -1.835 1.00 63.33 C ATOM 223 C PHE A 13 2.548 -17.578 -2.600 1.00 44.41 C ATOM 224 O PHE A 13 3.413 -16.707 -2.665 1.00 20.03 O ATOM 225 CB PHE A 13 1.328 -18.019 -0.473 1.00 2.14 C ATOM 226 CG PHE A 13 1.948 -17.155 0.628 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.534 -15.870 0.798 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.911 -17.671 1.437 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.108 -15.069 1.820 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.486 -16.869 2.458 1.00 33.33 C ATOM 231 CZ PHE A 13 3.072 -15.585 2.628 1.00 61.43 C ATOM 0 H PHE A 13 -0.408 -18.600 -2.005 1.00 41.44 H new ATOM 0 HA PHE A 13 1.120 -16.248 -1.737 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.324 -18.314 -0.167 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.912 -18.934 -0.576 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.769 -15.460 0.156 1.00 23.23 H new ATOM 0 HD2 PHE A 13 3.239 -18.691 1.303 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.779 -14.049 1.956 1.00 5.13 H new ATOM 0 HE2 PHE A 13 4.252 -17.279 3.099 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.509 -14.975 3.405 1.00 61.43 H new ATOM 241 N GLU A 14 2.645 -18.775 -3.160 1.00 55.44 N ATOM 242 CA GLU A 14 3.826 -19.153 -3.918 1.00 2.44 C ATOM 243 C GLU A 14 3.894 -18.359 -5.225 1.00 21.01 C ATOM 244 O GLU A 14 4.924 -18.353 -5.897 1.00 32.24 O ATOM 245 CB GLU A 14 3.844 -20.660 -4.189 1.00 3.33 C ATOM 246 CG GLU A 14 4.255 -21.437 -2.938 1.00 34.15 C ATOM 247 CD GLU A 14 3.880 -22.914 -3.063 1.00 72.44 C ATOM 248 OE1 GLU A 14 2.688 -23.258 -3.023 1.00 44.41 O ATOM 249 OE2 GLU A 14 4.877 -23.720 -3.208 1.00 21.22 O ATOM 0 H GLU A 14 1.925 -19.496 -3.104 1.00 55.44 H new ATOM 0 HA GLU A 14 4.708 -18.914 -3.324 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.857 -20.986 -4.516 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.537 -20.879 -5.001 1.00 3.33 H new ATOM 0 HG2 GLU A 14 5.330 -21.343 -2.784 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.768 -21.007 -2.062 1.00 34.15 H new ATOM 257 N GLN A 15 2.784 -17.711 -5.545 1.00 45.15 N ATOM 258 CA GLN A 15 2.705 -16.917 -6.758 1.00 41.13 C ATOM 259 C GLN A 15 3.259 -15.512 -6.510 1.00 53.54 C ATOM 260 O GLN A 15 4.097 -15.028 -7.270 1.00 72.22 O ATOM 261 CB GLN A 15 1.269 -16.856 -7.281 1.00 53.44 C ATOM 262 CG GLN A 15 1.214 -16.194 -8.660 1.00 54.20 C ATOM 263 CD GLN A 15 1.797 -17.115 -9.734 1.00 14.33 C ATOM 264 OE1 GLN A 15 2.965 -17.046 -10.079 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.921 -17.977 -10.240 1.00 10.33 N ATOM 0 H GLN A 15 1.932 -17.720 -4.985 1.00 45.15 H new ATOM 0 HA GLN A 15 3.315 -17.397 -7.523 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.857 -17.863 -7.341 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.647 -16.298 -6.581 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.182 -15.948 -8.908 1.00 54.20 H new ATOM 0 HG3 GLN A 15 1.769 -15.256 -8.640 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.042 -17.981 -9.905 1.00 10.33 H new ATOM 0 HE22 GLN A 15 1.212 -18.635 -10.963 1.00 10.33 H new ATOM 274 N ARG A 16 2.768 -14.897 -5.444 1.00 3.03 N ATOM 275 CA ARG A 16 3.204 -13.558 -5.087 1.00 14.35 C ATOM 276 C ARG A 16 4.694 -13.558 -4.743 1.00 53.10 C ATOM 277 O ARG A 16 5.450 -12.725 -5.239 1.00 3.11 O ATOM 278 CB ARG A 16 2.411 -13.022 -3.892 1.00 24.11 C ATOM 279 CG ARG A 16 1.812 -11.649 -4.204 1.00 72.42 C ATOM 280 CD ARG A 16 0.370 -11.780 -4.695 1.00 11.40 C ATOM 281 NE ARG A 16 0.310 -11.546 -6.156 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.782 -11.086 -6.805 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.914 -10.805 -6.126 1.00 15.11 N ATOM 284 NH2 ARG A 16 -0.723 -10.914 -8.113 1.00 73.11 N ATOM 0 H ARG A 16 2.073 -15.301 -4.816 1.00 3.03 H new ATOM 0 HA ARG A 16 3.027 -12.911 -5.946 1.00 14.35 H new ATOM 0 HB2 ARG A 16 1.615 -13.721 -3.636 1.00 24.11 H new ATOM 0 HB3 ARG A 16 3.063 -12.949 -3.021 1.00 24.11 H new ATOM 0 HG2 ARG A 16 1.841 -11.024 -3.311 1.00 72.42 H new ATOM 0 HG3 ARG A 16 2.414 -11.149 -4.963 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -0.014 -12.773 -4.461 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.266 -11.062 -4.177 1.00 11.40 H new ATOM 0 HE ARG A 16 1.145 -11.745 -6.707 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.949 -10.940 -5.116 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -2.734 -10.458 -6.623 1.00 15.11 H new ATOM 0 HH21 ARG A 16 0.138 -11.128 -8.617 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.538 -10.568 -8.619 1.00 73.11 H new ATOM 297 N VAL A 17 5.073 -14.504 -3.895 1.00 23.21 N ATOM 298 CA VAL A 17 6.460 -14.624 -3.479 1.00 72.24 C ATOM 299 C VAL A 17 7.335 -14.884 -4.706 1.00 12.31 C ATOM 300 O VAL A 17 8.532 -14.600 -4.692 1.00 41.11 O ATOM 301 CB VAL A 17 6.593 -15.708 -2.409 1.00 61.12 C ATOM 302 CG1 VAL A 17 6.124 -17.064 -2.941 1.00 70.24 C ATOM 303 CG2 VAL A 17 8.030 -15.791 -1.887 1.00 4.10 C ATOM 0 H VAL A 17 4.444 -15.194 -3.485 1.00 23.21 H new ATOM 0 HA VAL A 17 6.805 -13.695 -3.025 1.00 72.24 H new ATOM 0 HB VAL A 17 5.949 -15.434 -1.574 1.00 61.12 H new ATOM 0 HG11 VAL A 17 6.229 -17.817 -2.160 1.00 70.24 H new ATOM 0 HG12 VAL A 17 5.078 -16.995 -3.241 1.00 70.24 H new ATOM 0 HG13 VAL A 17 6.730 -17.347 -3.802 1.00 70.24 H new ATOM 0 HG21 VAL A 17 8.097 -16.570 -1.127 1.00 4.10 H new ATOM 0 HG22 VAL A 17 8.703 -16.029 -2.711 1.00 4.10 H new ATOM 0 HG23 VAL A 17 8.315 -14.833 -1.451 1.00 4.10 H new ATOM 313 N GLU A 18 6.705 -15.422 -5.740 1.00 25.41 N ATOM 314 CA GLU A 18 7.411 -15.724 -6.974 1.00 5.04 C ATOM 315 C GLU A 18 7.454 -14.490 -7.876 1.00 14.13 C ATOM 316 O GLU A 18 8.261 -14.422 -8.802 1.00 42.13 O ATOM 317 CB GLU A 18 6.771 -16.911 -7.696 1.00 74.55 C ATOM 318 CG GLU A 18 7.258 -17.000 -9.144 1.00 43.23 C ATOM 319 CD GLU A 18 7.241 -18.446 -9.641 1.00 34.23 C ATOM 320 OE1 GLU A 18 8.106 -19.245 -9.252 1.00 42.32 O ATOM 321 OE2 GLU A 18 6.284 -18.731 -10.458 1.00 63.31 O ATOM 0 H GLU A 18 5.712 -15.657 -5.749 1.00 25.41 H new ATOM 0 HA GLU A 18 8.435 -16.003 -6.725 1.00 5.04 H new ATOM 0 HB2 GLU A 18 7.013 -17.834 -7.170 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.686 -16.809 -7.679 1.00 74.55 H new ATOM 0 HG2 GLU A 18 6.624 -16.385 -9.783 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.269 -16.599 -9.217 1.00 43.23 H new ATOM 329 N ASP A 19 6.574 -13.546 -7.577 1.00 32.14 N ATOM 330 CA ASP A 19 6.501 -12.318 -8.351 1.00 24.24 C ATOM 331 C ASP A 19 7.582 -11.349 -7.865 1.00 51.31 C ATOM 332 O ASP A 19 8.284 -10.742 -8.671 1.00 42.23 O ATOM 333 CB ASP A 19 5.143 -11.637 -8.175 1.00 51.12 C ATOM 334 CG ASP A 19 4.759 -10.663 -9.292 1.00 40.34 C ATOM 335 OD1 ASP A 19 3.698 -10.796 -9.919 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.613 -9.722 -9.511 1.00 21.13 O ATOM 0 H ASP A 19 5.905 -13.607 -6.809 1.00 32.14 H new ATOM 0 HA ASP A 19 6.644 -12.572 -9.401 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.374 -12.406 -8.104 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.144 -11.098 -7.228 1.00 51.12 H new ATOM 342 N VAL A 20 7.680 -11.235 -6.548 1.00 71.23 N ATOM 343 CA VAL A 20 8.663 -10.350 -5.945 1.00 54.42 C ATOM 344 C VAL A 20 10.063 -10.763 -6.404 1.00 35.23 C ATOM 345 O VAL A 20 10.842 -9.927 -6.860 1.00 13.24 O ATOM 346 CB VAL A 20 8.507 -10.354 -4.424 1.00 4.51 C ATOM 347 CG1 VAL A 20 7.129 -9.833 -4.012 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.759 -11.751 -3.851 1.00 35.51 C ATOM 0 H VAL A 20 7.095 -11.740 -5.882 1.00 71.23 H new ATOM 0 HA VAL A 20 8.504 -9.322 -6.271 1.00 54.42 H new ATOM 0 HB VAL A 20 9.257 -9.681 -4.009 1.00 4.51 H new ATOM 0 HG11 VAL A 20 7.045 -9.847 -2.925 1.00 23.14 H new ATOM 0 HG12 VAL A 20 7.003 -8.812 -4.373 1.00 23.14 H new ATOM 0 HG13 VAL A 20 6.356 -10.468 -4.444 1.00 23.14 H new ATOM 0 HG21 VAL A 20 8.642 -11.726 -2.768 1.00 35.51 H new ATOM 0 HG22 VAL A 20 8.043 -12.454 -4.278 1.00 35.51 H new ATOM 0 HG23 VAL A 20 9.772 -12.069 -4.099 1.00 35.51 H new ATOM 358 N ARG A 21 10.341 -12.051 -6.268 1.00 73.35 N ATOM 359 CA ARG A 21 11.633 -12.585 -6.663 1.00 12.33 C ATOM 360 C ARG A 21 12.152 -11.855 -7.904 1.00 3.32 C ATOM 361 O ARG A 21 13.353 -11.624 -8.036 1.00 20.04 O ATOM 362 CB ARG A 21 11.544 -14.082 -6.960 1.00 32.23 C ATOM 363 CG ARG A 21 12.901 -14.638 -7.394 1.00 24.21 C ATOM 364 CD ARG A 21 12.964 -16.153 -7.192 1.00 65.53 C ATOM 365 NE ARG A 21 14.372 -16.608 -7.210 1.00 31.50 N ATOM 366 CZ ARG A 21 14.754 -17.877 -7.466 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.834 -18.830 -7.728 1.00 64.10 N ATOM 368 NH2 ARG A 21 16.041 -18.173 -7.456 1.00 2.31 N ATOM 0 H ARG A 21 9.693 -12.741 -5.889 1.00 73.35 H new ATOM 0 HA ARG A 21 12.322 -12.432 -5.832 1.00 12.33 H new ATOM 0 HB2 ARG A 21 11.197 -14.612 -6.073 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.808 -14.257 -7.744 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.077 -14.400 -8.443 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.694 -14.158 -6.821 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.499 -16.421 -6.244 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.400 -16.657 -7.977 1.00 65.53 H new ATOM 0 HE ARG A 21 15.099 -15.920 -7.017 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.842 -18.593 -7.733 1.00 64.10 H new ATOM 0 HH12 ARG A 21 14.131 -19.787 -7.920 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.730 -17.447 -7.257 1.00 2.31 H new ATOM 0 HH22 ARG A 21 16.346 -19.127 -7.647 1.00 2.31 H new ATOM 381 N LEU A 22 11.220 -11.512 -8.781 1.00 21.23 N ATOM 382 CA LEU A 22 11.568 -10.814 -10.007 1.00 44.20 C ATOM 383 C LEU A 22 12.132 -9.434 -9.660 1.00 44.01 C ATOM 384 O LEU A 22 13.261 -9.111 -10.027 1.00 64.33 O ATOM 385 CB LEU A 22 10.370 -10.767 -10.956 1.00 45.15 C ATOM 386 CG LEU A 22 9.899 -12.114 -11.509 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.426 -11.976 -12.958 1.00 14.41 C ATOM 388 CD2 LEU A 22 10.988 -13.178 -11.361 1.00 33.03 C ATOM 0 H LEU A 22 10.225 -11.704 -8.667 1.00 21.23 H new ATOM 0 HA LEU A 22 12.349 -11.353 -10.544 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.536 -10.300 -10.433 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.622 -10.120 -11.796 1.00 45.15 H new ATOM 0 HG LEU A 22 9.043 -12.445 -10.921 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.097 -12.947 -13.327 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.597 -11.270 -13.004 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.247 -11.612 -13.576 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.628 -14.126 -11.762 1.00 33.03 H new ATOM 0 HD22 LEU A 22 11.877 -12.867 -11.909 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.236 -13.301 -10.307 1.00 33.03 H new ATOM 400 N ILE A 23 11.321 -8.658 -8.958 1.00 72.43 N ATOM 401 CA ILE A 23 11.725 -7.321 -8.557 1.00 73.03 C ATOM 402 C ILE A 23 12.952 -7.414 -7.648 1.00 50.41 C ATOM 403 O ILE A 23 13.711 -6.454 -7.523 1.00 52.54 O ATOM 404 CB ILE A 23 10.549 -6.572 -7.928 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.135 -5.377 -8.789 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.869 -6.158 -6.489 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.463 -5.841 -10.083 1.00 24.34 C ATOM 0 H ILE A 23 10.385 -8.929 -8.656 1.00 72.43 H new ATOM 0 HA ILE A 23 12.017 -6.734 -9.428 1.00 73.03 H new ATOM 0 HB ILE A 23 9.696 -7.249 -7.887 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.451 -4.739 -8.228 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.011 -4.774 -9.026 1.00 62.53 H new ATOM 0 HG21 ILE A 23 10.017 -5.627 -6.065 1.00 72.53 H new ATOM 0 HG22 ILE A 23 11.077 -7.046 -5.892 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.742 -5.505 -6.484 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.178 -4.972 -10.677 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.158 -6.458 -10.653 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.574 -6.423 -9.843 1.00 24.34 H new ATOM 419 N ARG A 24 13.108 -8.579 -7.036 1.00 12.34 N ATOM 420 CA ARG A 24 14.230 -8.810 -6.142 1.00 45.23 C ATOM 421 C ARG A 24 15.534 -8.891 -6.938 1.00 1.14 C ATOM 422 O ARG A 24 16.604 -8.575 -6.417 1.00 74.04 O ATOM 423 CB ARG A 24 14.044 -10.105 -5.348 1.00 34.14 C ATOM 424 CG ARG A 24 13.192 -9.863 -4.099 1.00 13.13 C ATOM 425 CD ARG A 24 14.071 -9.743 -2.852 1.00 0.34 C ATOM 426 NE ARG A 24 14.799 -11.011 -2.621 1.00 52.12 N ATOM 427 CZ ARG A 24 14.313 -12.040 -1.895 1.00 54.35 C ATOM 428 NH1 ARG A 24 13.094 -11.960 -1.322 1.00 71.43 N ATOM 429 NH2 ARG A 24 15.050 -13.127 -1.753 1.00 1.01 N ATOM 0 H ARG A 24 12.476 -9.373 -7.142 1.00 12.34 H new ATOM 0 HA ARG A 24 14.277 -7.973 -5.445 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.568 -10.857 -5.977 1.00 34.14 H new ATOM 0 HB3 ARG A 24 15.017 -10.501 -5.058 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.606 -8.952 -4.225 1.00 13.13 H new ATOM 0 HG3 ARG A 24 12.484 -10.682 -3.972 1.00 13.13 H new ATOM 0 HD2 ARG A 24 14.780 -8.924 -2.974 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.455 -9.505 -1.985 1.00 0.34 H new ATOM 0 HE ARG A 24 15.725 -11.114 -3.036 1.00 52.12 H new ATOM 0 HH11 ARG A 24 12.531 -11.117 -1.436 1.00 71.43 H new ATOM 0 HH12 ARG A 24 12.735 -12.743 -0.775 1.00 71.43 H new ATOM 0 HH21 ARG A 24 15.971 -13.179 -2.189 1.00 1.01 H new ATOM 0 HH22 ARG A 24 14.698 -13.914 -1.208 1.00 1.01 H new ATOM 442 N GLU A 25 15.404 -9.318 -8.185 1.00 75.54 N ATOM 443 CA GLU A 25 16.559 -9.444 -9.057 1.00 71.24 C ATOM 444 C GLU A 25 16.637 -8.252 -10.013 1.00 4.54 C ATOM 445 O GLU A 25 17.716 -7.900 -10.486 1.00 51.11 O ATOM 446 CB GLU A 25 16.521 -10.765 -9.829 1.00 21.24 C ATOM 447 CG GLU A 25 15.223 -10.894 -10.630 1.00 65.42 C ATOM 448 CD GLU A 25 15.336 -11.998 -11.683 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.755 -13.079 -11.513 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.058 -11.699 -12.710 1.00 50.21 O ATOM 0 H GLU A 25 14.516 -9.581 -8.613 1.00 75.54 H new ATOM 0 HA GLU A 25 17.457 -9.447 -8.439 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.376 -10.821 -10.503 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.608 -11.600 -9.133 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.395 -11.113 -9.955 1.00 65.42 H new ATOM 0 HG3 GLU A 25 14.995 -9.945 -11.116 1.00 65.42 H new ATOM 458 N GLN A 26 15.478 -7.664 -10.268 1.00 42.22 N ATOM 459 CA GLN A 26 15.401 -6.518 -11.159 1.00 1.04 C ATOM 460 C GLN A 26 15.560 -5.218 -10.367 1.00 74.23 C ATOM 461 O GLN A 26 16.425 -4.400 -10.677 1.00 72.32 O ATOM 462 CB GLN A 26 14.088 -6.523 -11.946 1.00 4.32 C ATOM 463 CG GLN A 26 14.010 -7.736 -12.875 1.00 11.50 C ATOM 464 CD GLN A 26 12.879 -7.576 -13.892 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.504 -6.480 -14.274 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.358 -8.726 -14.307 1.00 14.23 N ATOM 0 H GLN A 26 14.585 -7.959 -9.874 1.00 42.22 H new ATOM 0 HA GLN A 26 16.218 -6.585 -11.877 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.246 -6.535 -11.255 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.007 -5.607 -12.531 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.959 -7.860 -13.397 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.850 -8.639 -12.287 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.719 -9.609 -13.946 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.597 -8.725 -14.986 1.00 14.23 H new ATOM 475 N HIS A 27 14.713 -5.068 -9.360 1.00 51.23 N ATOM 476 CA HIS A 27 14.750 -3.882 -8.521 1.00 52.43 C ATOM 477 C HIS A 27 15.091 -4.280 -7.084 1.00 72.33 C ATOM 478 O HIS A 27 14.206 -4.380 -6.236 1.00 1.33 O ATOM 479 CB HIS A 27 13.437 -3.103 -8.625 1.00 21.24 C ATOM 480 CG HIS A 27 13.002 -2.819 -10.043 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.031 -1.550 -10.596 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.529 -3.651 -11.014 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.591 -1.628 -11.843 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.281 -2.931 -12.100 1.00 22.24 N ATOM 0 H HIS A 27 13.997 -5.748 -9.106 1.00 51.23 H new ATOM 0 HA HIS A 27 15.533 -3.209 -8.870 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.652 -3.666 -8.121 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.544 -2.158 -8.092 1.00 21.24 H new ATOM 0 HD1 HIS A 27 13.339 -0.700 -10.124 1.00 31.43 H new ATOM 0 HD2 HIS A 27 12.381 -4.716 -10.916 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.495 -0.804 -12.535 1.00 74.54 H new ATOM 492 N PRO A 28 16.412 -4.503 -6.848 1.00 55.03 N ATOM 493 CA PRO A 28 16.881 -4.888 -5.527 1.00 41.14 C ATOM 494 C PRO A 28 16.877 -3.691 -4.573 1.00 41.12 C ATOM 495 O PRO A 28 16.645 -3.849 -3.375 1.00 74.04 O ATOM 496 CB PRO A 28 18.271 -5.460 -5.755 1.00 22.43 C ATOM 497 CG PRO A 28 18.713 -4.951 -7.118 1.00 40.31 C ATOM 498 CD PRO A 28 17.489 -4.394 -7.827 1.00 2.23 C ATOM 0 HA PRO A 28 16.234 -5.624 -5.049 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.960 -5.136 -4.975 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.254 -6.550 -5.732 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.475 -4.179 -7.009 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.158 -5.758 -7.701 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.644 -3.359 -8.131 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.262 -4.961 -8.730 1.00 2.23 H new ATOM 506 N THR A 29 17.134 -2.522 -5.140 1.00 63.23 N ATOM 507 CA THR A 29 17.163 -1.299 -4.355 1.00 35.40 C ATOM 508 C THR A 29 15.766 -0.678 -4.286 1.00 2.51 C ATOM 509 O THR A 29 15.630 0.541 -4.193 1.00 3.01 O ATOM 510 CB THR A 29 18.213 -0.369 -4.966 1.00 72.21 C ATOM 511 OG1 THR A 29 17.570 0.170 -6.119 1.00 20.14 O ATOM 512 CG2 THR A 29 19.413 -1.132 -5.531 1.00 4.31 C ATOM 0 H THR A 29 17.324 -2.395 -6.134 1.00 63.23 H new ATOM 0 HA THR A 29 17.448 -1.498 -3.322 1.00 35.40 H new ATOM 0 HB THR A 29 18.556 0.338 -4.210 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.180 0.786 -6.576 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.128 -0.425 -5.952 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.891 -1.700 -4.733 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.076 -1.815 -6.311 1.00 4.31 H new ATOM 520 N LYS A 30 14.766 -1.545 -4.334 1.00 73.12 N ATOM 521 CA LYS A 30 13.384 -1.095 -4.279 1.00 13.34 C ATOM 522 C LYS A 30 12.586 -2.028 -3.364 1.00 74.25 C ATOM 523 O LYS A 30 12.967 -3.180 -3.163 1.00 52.32 O ATOM 524 CB LYS A 30 12.804 -0.972 -5.688 1.00 53.11 C ATOM 525 CG LYS A 30 13.508 0.136 -6.476 1.00 74.24 C ATOM 526 CD LYS A 30 12.756 1.462 -6.348 1.00 31.34 C ATOM 527 CE LYS A 30 12.873 2.284 -7.632 1.00 62.14 C ATOM 528 NZ LYS A 30 14.012 3.225 -7.544 1.00 64.44 N ATOM 0 H LYS A 30 14.884 -2.555 -4.410 1.00 73.12 H new ATOM 0 HA LYS A 30 13.325 -0.096 -3.848 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.911 -1.921 -6.213 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.737 -0.759 -5.629 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.528 0.255 -6.110 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.577 -0.147 -7.526 1.00 74.24 H new ATOM 0 HD2 LYS A 30 11.706 1.269 -6.130 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.156 2.032 -5.509 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.008 1.619 -8.485 1.00 62.14 H new ATOM 0 HE3 LYS A 30 11.949 2.837 -7.802 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 14.077 3.775 -8.424 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 13.867 3.871 -6.742 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.893 2.691 -7.404 1.00 64.44 H new ATOM 541 N ILE A 31 11.495 -1.495 -2.837 1.00 11.23 N ATOM 542 CA ILE A 31 10.640 -2.265 -1.948 1.00 34.53 C ATOM 543 C ILE A 31 9.325 -2.583 -2.662 1.00 61.33 C ATOM 544 O ILE A 31 8.576 -1.677 -3.025 1.00 14.43 O ATOM 545 CB ILE A 31 10.455 -1.535 -0.616 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.804 -1.108 -0.033 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.649 -2.385 0.367 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.544 -2.305 0.569 1.00 43.44 C ATOM 0 H ILE A 31 11.182 -0.539 -3.008 1.00 11.23 H new ATOM 0 HA ILE A 31 11.108 -3.218 -1.700 1.00 34.53 H new ATOM 0 HB ILE A 31 9.882 -0.626 -0.801 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.414 -0.654 -0.814 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.649 -0.349 0.733 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.532 -1.843 1.306 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.666 -2.596 -0.055 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.173 -3.322 0.552 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.500 -1.975 0.976 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.942 -2.742 1.365 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.719 -3.052 -0.206 1.00 43.44 H new ATOM 560 N PRO A 32 9.078 -3.907 -2.849 1.00 41.13 N ATOM 561 CA PRO A 32 7.866 -4.356 -3.514 1.00 31.23 C ATOM 562 C PRO A 32 6.653 -4.224 -2.590 1.00 60.01 C ATOM 563 O PRO A 32 6.719 -4.588 -1.417 1.00 33.01 O ATOM 564 CB PRO A 32 8.149 -5.793 -3.920 1.00 4.31 C ATOM 565 CG PRO A 32 9.323 -6.243 -3.065 1.00 32.45 C ATOM 566 CD PRO A 32 9.942 -5.008 -2.433 1.00 10.22 C ATOM 0 HA PRO A 32 7.616 -3.752 -4.386 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.278 -6.426 -3.751 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.390 -5.859 -4.981 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.990 -6.939 -2.295 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.058 -6.769 -3.674 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.978 -5.095 -1.347 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.966 -4.859 -2.775 1.00 10.22 H new ATOM 574 N VAL A 33 5.574 -3.702 -3.155 1.00 12.13 N ATOM 575 CA VAL A 33 4.348 -3.517 -2.397 1.00 24.23 C ATOM 576 C VAL A 33 3.147 -3.791 -3.305 1.00 4.32 C ATOM 577 O VAL A 33 3.259 -3.722 -4.527 1.00 1.31 O ATOM 578 CB VAL A 33 4.321 -2.119 -1.777 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.701 -1.731 -1.241 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.812 -1.083 -2.780 1.00 4.04 C ATOM 0 H VAL A 33 5.523 -3.401 -4.128 1.00 12.13 H new ATOM 0 HA VAL A 33 4.300 -4.225 -1.570 1.00 24.23 H new ATOM 0 HB VAL A 33 3.628 -2.139 -0.936 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.655 -0.733 -0.805 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.009 -2.446 -0.478 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.423 -1.738 -2.057 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.803 -0.098 -2.313 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.468 -1.066 -3.650 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.801 -1.345 -3.093 1.00 4.04 H new ATOM 590 N ILE A 34 2.025 -4.097 -2.670 1.00 53.34 N ATOM 591 CA ILE A 34 0.804 -4.382 -3.405 1.00 0.30 C ATOM 592 C ILE A 34 -0.311 -3.456 -2.912 1.00 63.12 C ATOM 593 O ILE A 34 -0.969 -3.748 -1.915 1.00 30.23 O ATOM 594 CB ILE A 34 0.455 -5.869 -3.309 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.433 -6.714 -4.128 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.998 -6.118 -3.715 1.00 40.24 C ATOM 597 CD1 ILE A 34 0.958 -6.854 -5.575 1.00 42.24 C ATOM 0 H ILE A 34 1.936 -4.154 -1.656 1.00 53.34 H new ATOM 0 HA ILE A 34 0.943 -4.178 -4.467 1.00 0.30 H new ATOM 0 HB ILE A 34 0.555 -6.178 -2.269 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.421 -6.254 -4.109 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.532 -7.701 -3.677 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.220 -7.182 -3.638 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.661 -5.560 -3.054 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.150 -5.789 -4.743 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.671 -7.459 -6.135 1.00 42.24 H new ATOM 0 HD12 ILE A 34 -0.019 -7.336 -5.592 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.883 -5.867 -6.031 1.00 42.24 H new ATOM 609 N ILE A 35 -0.487 -2.360 -3.634 1.00 13.32 N ATOM 610 CA ILE A 35 -1.510 -1.389 -3.284 1.00 43.02 C ATOM 611 C ILE A 35 -2.776 -1.671 -4.098 1.00 62.52 C ATOM 612 O ILE A 35 -2.741 -1.664 -5.327 1.00 31.22 O ATOM 613 CB ILE A 35 -0.978 0.035 -3.448 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.345 0.216 -2.701 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.024 1.065 -3.018 1.00 64.40 C ATOM 616 CD1 ILE A 35 1.140 1.393 -3.269 1.00 12.23 C ATOM 0 H ILE A 35 0.062 -2.122 -4.460 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.779 -1.484 -2.232 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.776 0.204 -4.506 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.149 0.383 -1.642 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.936 -0.697 -2.776 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.619 2.069 -3.145 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -2.918 0.954 -3.632 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.281 0.907 -1.971 1.00 64.40 H new ATOM 0 HD11 ILE A 35 2.076 1.499 -2.720 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.356 1.212 -4.322 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.556 2.308 -3.171 1.00 12.23 H new ATOM 628 N GLU A 36 -3.862 -1.911 -3.379 1.00 14.05 N ATOM 629 CA GLU A 36 -5.135 -2.195 -4.019 1.00 10.15 C ATOM 630 C GLU A 36 -6.231 -1.300 -3.439 1.00 32.02 C ATOM 631 O GLU A 36 -5.973 -0.496 -2.545 1.00 33.43 O ATOM 632 CB GLU A 36 -5.502 -3.673 -3.878 1.00 14.40 C ATOM 633 CG GLU A 36 -4.247 -4.546 -3.808 1.00 64.41 C ATOM 634 CD GLU A 36 -3.809 -4.759 -2.358 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.475 -5.889 -1.972 1.00 11.42 O ATOM 636 OE2 GLU A 36 -3.821 -3.700 -1.623 1.00 2.44 O ATOM 0 H GLU A 36 -3.887 -1.915 -2.359 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.041 -1.978 -5.083 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.101 -3.818 -2.979 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.117 -3.981 -4.724 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.443 -5.510 -4.278 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.440 -4.076 -4.370 1.00 64.41 H new ATOM 644 N ARG A 37 -7.433 -1.468 -3.972 1.00 33.23 N ATOM 645 CA ARG A 37 -8.570 -0.685 -3.518 1.00 73.24 C ATOM 646 C ARG A 37 -9.240 -1.366 -2.324 1.00 64.52 C ATOM 647 O ARG A 37 -9.385 -2.588 -2.301 1.00 12.04 O ATOM 648 CB ARG A 37 -9.598 -0.508 -4.637 1.00 51.13 C ATOM 649 CG ARG A 37 -10.423 -1.782 -4.831 1.00 1.41 C ATOM 650 CD ARG A 37 -11.074 -1.808 -6.216 1.00 24.11 C ATOM 651 NE ARG A 37 -11.897 -3.028 -6.365 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.252 -3.562 -7.554 1.00 70.24 C ATOM 653 NH1 ARG A 37 -11.859 -2.984 -8.708 1.00 72.20 N ATOM 654 NH2 ARG A 37 -12.991 -4.655 -7.569 1.00 44.03 N ATOM 0 H ARG A 37 -7.644 -2.135 -4.714 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.200 0.296 -3.221 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.260 0.325 -4.399 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.089 -0.255 -5.567 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.783 -2.656 -4.710 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.193 -1.841 -4.062 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.694 -0.922 -6.352 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.306 -1.781 -6.989 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.217 -3.495 -5.517 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.290 -2.138 -8.687 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.131 -3.393 -9.602 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -13.285 -5.084 -6.692 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.268 -5.071 -8.458 1.00 44.03 H new ATOM 667 N TYR A 38 -9.631 -0.546 -1.359 1.00 2.33 N ATOM 668 CA TYR A 38 -10.283 -1.054 -0.163 1.00 20.32 C ATOM 669 C TYR A 38 -11.579 -1.787 -0.514 1.00 54.11 C ATOM 670 O TYR A 38 -12.299 -1.379 -1.424 1.00 13.01 O ATOM 671 CB TYR A 38 -10.618 0.172 0.687 1.00 12.43 C ATOM 672 CG TYR A 38 -11.772 -0.046 1.667 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.074 -0.063 1.207 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.513 -0.227 3.010 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.160 -0.269 2.129 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.600 -0.433 3.932 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.870 -0.444 3.446 1.00 23.24 C ATOM 678 OH TYR A 38 -14.896 -0.639 4.316 1.00 23.44 O ATOM 0 H TYR A 38 -9.509 0.466 -1.381 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.635 -1.759 0.358 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.730 0.467 1.247 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.868 1.002 0.026 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.277 0.078 0.156 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.495 -0.214 3.370 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.183 -0.284 1.782 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -12.411 -0.576 4.986 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.540 -0.750 5.222 1.00 23.44 H new ATOM 688 N LYS A 39 -11.836 -2.855 0.225 1.00 73.55 N ATOM 689 CA LYS A 39 -13.033 -3.648 0.004 1.00 43.43 C ATOM 690 C LYS A 39 -14.263 -2.744 0.099 1.00 21.11 C ATOM 691 O LYS A 39 -14.814 -2.554 1.182 1.00 3.42 O ATOM 692 CB LYS A 39 -13.070 -4.841 0.961 1.00 73.41 C ATOM 693 CG LYS A 39 -13.054 -4.375 2.418 1.00 61.13 C ATOM 694 CD LYS A 39 -12.735 -5.537 3.362 1.00 10.22 C ATOM 695 CE LYS A 39 -13.970 -6.410 3.594 1.00 52.01 C ATOM 696 NZ LYS A 39 -13.583 -7.707 4.193 1.00 32.44 N ATOM 0 H LYS A 39 -11.235 -3.190 0.978 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.028 -4.075 -0.999 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.966 -5.434 0.775 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.214 -5.489 0.773 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -12.312 -3.586 2.543 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -14.022 -3.946 2.677 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -11.932 -6.142 2.941 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -12.376 -5.148 4.315 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -14.669 -5.893 4.251 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -14.486 -6.579 2.649 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -14.433 -8.287 4.344 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -12.933 -8.205 3.552 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -13.111 -7.541 5.105 1.00 32.44 H new ATOM 709 N GLY A 40 -14.658 -2.213 -1.048 1.00 74.45 N ATOM 710 CA GLY A 40 -15.814 -1.334 -1.108 1.00 3.24 C ATOM 711 C GLY A 40 -15.398 0.095 -1.461 1.00 12.21 C ATOM 712 O GLY A 40 -16.128 1.045 -1.183 1.00 40.33 O ATOM 0 H GLY A 40 -14.198 -2.374 -1.944 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.520 -1.705 -1.851 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.330 -1.340 -0.148 1.00 3.24 H new ATOM 716 N GLU A 41 -14.226 0.203 -2.069 1.00 33.32 N ATOM 717 CA GLU A 41 -13.703 1.501 -2.464 1.00 32.55 C ATOM 718 C GLU A 41 -14.219 1.880 -3.854 1.00 20.11 C ATOM 719 O GLU A 41 -13.804 1.297 -4.854 1.00 31.05 O ATOM 720 CB GLU A 41 -12.173 1.511 -2.425 1.00 62.14 C ATOM 721 CG GLU A 41 -11.645 2.892 -2.032 1.00 52.41 C ATOM 722 CD GLU A 41 -12.386 3.998 -2.786 1.00 41.41 C ATOM 723 OE1 GLU A 41 -13.347 4.573 -2.255 1.00 62.12 O ATOM 724 OE2 GLU A 41 -11.929 4.253 -3.965 1.00 34.32 O ATOM 0 H GLU A 41 -13.623 -0.587 -2.298 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.056 2.246 -1.751 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -11.819 0.766 -1.713 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.779 1.231 -3.402 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.762 3.038 -0.958 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -10.578 2.952 -2.247 1.00 52.41 H new ATOM 732 N LYS A 42 -15.115 2.855 -3.871 1.00 64.40 N ATOM 733 CA LYS A 42 -15.692 3.319 -5.122 1.00 2.11 C ATOM 734 C LYS A 42 -15.215 4.747 -5.399 1.00 14.01 C ATOM 735 O LYS A 42 -15.070 5.142 -6.555 1.00 33.23 O ATOM 736 CB LYS A 42 -17.215 3.174 -5.096 1.00 13.31 C ATOM 737 CG LYS A 42 -17.849 4.214 -4.172 1.00 45.50 C ATOM 738 CD LYS A 42 -17.967 3.680 -2.744 1.00 43.25 C ATOM 739 CE LYS A 42 -19.204 4.247 -2.045 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.130 4.011 -0.586 1.00 23.20 N ATOM 0 H LYS A 42 -15.456 3.337 -3.039 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.350 2.701 -5.952 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.612 3.288 -6.105 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.483 2.172 -4.760 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.248 5.123 -4.175 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -18.837 4.484 -4.546 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.023 2.592 -2.763 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.073 3.944 -2.179 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.282 5.316 -2.243 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -20.103 3.781 -2.449 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -19.978 4.402 -0.128 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -19.077 2.989 -0.402 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -18.283 4.476 -0.202 1.00 23.20 H new ATOM 753 N GLN A 43 -14.986 5.480 -4.320 1.00 63.45 N ATOM 754 CA GLN A 43 -14.528 6.854 -4.433 1.00 43.21 C ATOM 755 C GLN A 43 -13.276 6.928 -5.308 1.00 65.15 C ATOM 756 O GLN A 43 -13.361 7.238 -6.496 1.00 23.23 O ATOM 757 CB GLN A 43 -14.268 7.461 -3.052 1.00 65.43 C ATOM 758 CG GLN A 43 -15.517 8.167 -2.520 1.00 61.32 C ATOM 759 CD GLN A 43 -15.434 9.677 -2.752 1.00 0.41 C ATOM 760 OE1 GLN A 43 -14.931 10.015 -3.936 1.00 34.35 O flip ATOM 761 NE2 GLN A 43 -15.804 10.481 -1.913 1.00 61.50 N flip ATOM 0 H GLN A 43 -15.109 5.149 -3.363 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.315 7.439 -4.909 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -13.965 6.677 -2.357 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -13.443 8.170 -3.112 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.403 7.768 -3.014 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -15.628 7.965 -1.455 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -16.181 10.153 -1.024 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -15.737 11.481 -2.101 1.00 61.50 H new ATOM 770 N LEU A 44 -12.141 6.636 -4.689 1.00 70.13 N ATOM 771 CA LEU A 44 -10.873 6.664 -5.397 1.00 74.32 C ATOM 772 C LEU A 44 -10.950 5.734 -6.609 1.00 11.20 C ATOM 773 O LEU A 44 -11.603 4.694 -6.557 1.00 43.35 O ATOM 774 CB LEU A 44 -9.721 6.338 -4.444 1.00 23.41 C ATOM 775 CG LEU A 44 -9.371 7.419 -3.420 1.00 52.12 C ATOM 776 CD1 LEU A 44 -8.680 8.609 -4.092 1.00 50.33 C ATOM 777 CD2 LEU A 44 -10.609 7.847 -2.630 1.00 10.25 C ATOM 0 H LEU A 44 -12.074 6.379 -3.704 1.00 70.13 H new ATOM 0 HA LEU A 44 -10.670 7.666 -5.776 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -9.969 5.423 -3.906 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -8.832 6.128 -5.039 1.00 23.41 H new ATOM 0 HG LEU A 44 -8.663 6.997 -2.706 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -8.442 9.363 -3.342 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -7.761 8.272 -4.572 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.344 9.040 -4.841 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -10.333 8.616 -1.909 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -11.358 8.244 -3.315 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -11.020 6.986 -2.102 1.00 10.25 H new ATOM 789 N PRO A 45 -10.255 6.154 -7.700 1.00 31.11 N ATOM 790 CA PRO A 45 -10.238 5.371 -8.925 1.00 72.02 C ATOM 791 C PRO A 45 -9.335 4.145 -8.778 1.00 4.31 C ATOM 792 O PRO A 45 -8.675 3.974 -7.754 1.00 31.03 O ATOM 793 CB PRO A 45 -9.764 6.333 -10.001 1.00 14.10 C ATOM 794 CG PRO A 45 -9.092 7.482 -9.266 1.00 24.31 C ATOM 795 CD PRO A 45 -9.470 7.382 -7.798 1.00 12.34 C ATOM 0 HA PRO A 45 -11.217 4.964 -9.178 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.067 5.845 -10.682 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.600 6.690 -10.602 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.010 7.430 -9.386 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.413 8.439 -9.678 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.585 7.338 -7.163 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.049 8.249 -7.478 1.00 12.34 H new ATOM 803 N VAL A 46 -9.334 3.323 -9.817 1.00 55.41 N ATOM 804 CA VAL A 46 -8.523 2.118 -9.818 1.00 62.40 C ATOM 805 C VAL A 46 -7.061 2.494 -10.069 1.00 24.11 C ATOM 806 O VAL A 46 -6.699 2.891 -11.176 1.00 23.43 O ATOM 807 CB VAL A 46 -9.068 1.120 -10.841 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.134 -0.084 -10.985 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.484 0.675 -10.471 1.00 2.32 C ATOM 0 H VAL A 46 -9.883 3.468 -10.665 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.570 1.625 -8.847 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.116 1.623 -11.807 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.545 -0.778 -11.718 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.152 0.255 -11.316 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.038 -0.587 -10.023 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.848 -0.034 -11.214 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.471 0.199 -9.491 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.143 1.543 -10.444 1.00 2.32 H new ATOM 819 N LEU A 47 -6.259 2.353 -9.024 1.00 70.21 N ATOM 820 CA LEU A 47 -4.844 2.672 -9.117 1.00 52.54 C ATOM 821 C LEU A 47 -4.303 2.182 -10.462 1.00 0.41 C ATOM 822 O LEU A 47 -4.754 1.162 -10.982 1.00 44.05 O ATOM 823 CB LEU A 47 -4.088 2.115 -7.909 1.00 21.34 C ATOM 824 CG LEU A 47 -3.045 3.044 -7.285 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.148 3.662 -8.359 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.711 4.108 -6.411 1.00 2.31 C ATOM 0 H LEU A 47 -6.562 2.022 -8.108 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.694 3.751 -9.087 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.815 1.849 -7.141 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.591 1.193 -8.210 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.404 2.449 -6.634 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.416 4.318 -7.888 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.631 2.870 -8.901 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.758 4.239 -9.054 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.947 4.755 -5.980 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.391 4.705 -7.019 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.270 3.624 -5.611 1.00 2.31 H new ATOM 838 N ASP A 48 -3.343 2.929 -10.986 1.00 34.23 N ATOM 839 CA ASP A 48 -2.736 2.584 -12.260 1.00 65.12 C ATOM 840 C ASP A 48 -2.493 1.074 -12.310 1.00 61.25 C ATOM 841 O ASP A 48 -2.615 0.457 -13.367 1.00 1.55 O ATOM 842 CB ASP A 48 -1.387 3.285 -12.435 1.00 32.20 C ATOM 843 CG ASP A 48 -1.463 4.808 -12.566 1.00 54.14 C ATOM 844 OD1 ASP A 48 -1.640 5.527 -11.571 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.330 5.259 -13.768 1.00 33.14 O ATOM 0 H ASP A 48 -2.970 3.773 -10.551 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.413 2.901 -13.054 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -0.754 3.040 -11.583 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -0.898 2.883 -13.322 1.00 32.20 H new ATOM 851 N LYS A 49 -2.154 0.522 -11.155 1.00 34.30 N ATOM 852 CA LYS A 49 -1.893 -0.903 -11.054 1.00 13.11 C ATOM 853 C LYS A 49 -1.884 -1.313 -9.580 1.00 55.44 C ATOM 854 O LYS A 49 -2.319 -0.553 -8.718 1.00 64.03 O ATOM 855 CB LYS A 49 -0.608 -1.268 -11.802 1.00 53.23 C ATOM 856 CG LYS A 49 0.585 -0.481 -11.256 1.00 52.12 C ATOM 857 CD LYS A 49 0.856 0.763 -12.106 1.00 15.23 C ATOM 858 CE LYS A 49 1.760 0.428 -13.294 1.00 51.44 C ATOM 859 NZ LYS A 49 1.251 1.068 -14.527 1.00 4.25 N ATOM 0 H LYS A 49 -2.054 1.037 -10.280 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.688 -1.470 -11.538 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.418 -2.337 -11.706 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.730 -1.060 -12.865 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.390 -0.186 -10.225 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.470 -1.117 -11.243 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.087 1.174 -12.466 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.325 1.532 -11.493 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.776 0.768 -13.093 1.00 51.44 H new ATOM 0 HE3 LYS A 49 1.807 -0.652 -13.430 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.875 0.831 -15.324 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.290 0.724 -14.726 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.229 2.100 -14.399 1.00 4.25 H new ATOM 872 N THR A 50 -1.382 -2.515 -9.336 1.00 62.40 N ATOM 873 CA THR A 50 -1.310 -3.036 -7.981 1.00 12.42 C ATOM 874 C THR A 50 0.148 -3.173 -7.539 1.00 13.32 C ATOM 875 O THR A 50 0.438 -3.202 -6.344 1.00 13.53 O ATOM 876 CB THR A 50 -2.085 -4.354 -7.939 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.257 -4.093 -8.706 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.619 -4.675 -6.542 1.00 4.14 C ATOM 0 H THR A 50 -1.021 -3.143 -10.054 1.00 62.40 H new ATOM 0 HA THR A 50 -1.769 -2.350 -7.269 1.00 12.42 H new ATOM 0 HB THR A 50 -1.439 -5.165 -8.276 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.817 -4.897 -8.732 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.161 -5.620 -6.568 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.786 -4.753 -5.843 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.291 -3.880 -6.218 1.00 4.14 H new ATOM 886 N LYS A 51 1.027 -3.256 -8.527 1.00 63.11 N ATOM 887 CA LYS A 51 2.448 -3.390 -8.255 1.00 2.24 C ATOM 888 C LYS A 51 3.105 -2.009 -8.303 1.00 2.53 C ATOM 889 O LYS A 51 2.929 -1.268 -9.268 1.00 22.21 O ATOM 890 CB LYS A 51 3.082 -4.406 -9.208 1.00 62.34 C ATOM 891 CG LYS A 51 2.346 -5.747 -9.149 1.00 12.21 C ATOM 892 CD LYS A 51 3.327 -6.916 -9.257 1.00 14.34 C ATOM 893 CE LYS A 51 3.307 -7.521 -10.661 1.00 70.11 C ATOM 894 NZ LYS A 51 1.919 -7.834 -11.069 1.00 74.50 N ATOM 0 H LYS A 51 0.783 -3.233 -9.517 1.00 63.11 H new ATOM 0 HA LYS A 51 2.608 -3.785 -7.252 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.058 -4.019 -10.227 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.130 -4.551 -8.946 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.790 -5.820 -8.215 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.618 -5.802 -9.959 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.334 -6.573 -9.019 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.069 -7.681 -8.524 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.753 -6.824 -11.371 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.912 -8.427 -10.682 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.919 -8.668 -11.690 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.345 -8.031 -10.224 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.516 -7.023 -11.580 1.00 74.50 H new ATOM 907 N PHE A 52 3.848 -1.706 -7.249 1.00 55.52 N ATOM 908 CA PHE A 52 4.532 -0.427 -7.158 1.00 12.53 C ATOM 909 C PHE A 52 5.928 -0.594 -6.554 1.00 23.41 C ATOM 910 O PHE A 52 6.093 -1.275 -5.543 1.00 20.35 O ATOM 911 CB PHE A 52 3.694 0.463 -6.239 1.00 64.54 C ATOM 912 CG PHE A 52 2.276 0.724 -6.749 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.288 -0.179 -6.504 1.00 55.41 C ATOM 914 CD2 PHE A 52 2.002 1.859 -7.447 1.00 50.44 C ATOM 915 CE1 PHE A 52 -0.028 0.063 -6.978 1.00 50.35 C ATOM 916 CE2 PHE A 52 0.684 2.101 -7.920 1.00 5.33 C ATOM 917 CZ PHE A 52 -0.303 1.197 -7.676 1.00 13.42 C ATOM 0 H PHE A 52 3.992 -2.324 -6.450 1.00 55.52 H new ATOM 0 HA PHE A 52 4.645 0.007 -8.152 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.635 -0.002 -5.255 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.204 1.418 -6.111 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.505 -1.080 -5.949 1.00 55.41 H new ATOM 0 HD2 PHE A 52 2.786 2.576 -7.642 1.00 50.44 H new ATOM 0 HE1 PHE A 52 -0.812 -0.654 -6.784 1.00 50.35 H new ATOM 0 HE2 PHE A 52 0.466 3.003 -8.473 1.00 5.33 H new ATOM 0 HZ PHE A 52 -1.304 1.380 -8.037 1.00 13.42 H new ATOM 927 N LEU A 53 6.896 0.040 -7.199 1.00 0.05 N ATOM 928 CA LEU A 53 8.272 -0.029 -6.738 1.00 15.10 C ATOM 929 C LEU A 53 8.594 1.221 -5.916 1.00 53.33 C ATOM 930 O LEU A 53 8.810 2.296 -6.473 1.00 23.21 O ATOM 931 CB LEU A 53 9.222 -0.251 -7.918 1.00 22.22 C ATOM 932 CG LEU A 53 8.979 -1.513 -8.747 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.266 -1.977 -9.430 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.352 -2.618 -7.893 1.00 70.04 C ATOM 0 H LEU A 53 6.755 0.604 -8.037 1.00 0.05 H new ATOM 0 HA LEU A 53 8.411 -0.887 -6.081 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.155 0.613 -8.580 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.242 -0.282 -7.536 1.00 22.22 H new ATOM 0 HG LEU A 53 8.266 -1.272 -9.535 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.065 -2.876 -10.013 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.631 -1.191 -10.090 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.020 -2.196 -8.674 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.190 -3.504 -8.507 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.021 -2.865 -7.069 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.398 -2.273 -7.495 1.00 70.04 H new ATOM 946 N VAL A 54 8.616 1.038 -4.604 1.00 12.25 N ATOM 947 CA VAL A 54 8.906 2.137 -3.700 1.00 54.11 C ATOM 948 C VAL A 54 10.415 2.202 -3.452 1.00 53.14 C ATOM 949 O VAL A 54 11.076 1.169 -3.350 1.00 2.34 O ATOM 950 CB VAL A 54 8.094 1.985 -2.412 1.00 50.23 C ATOM 951 CG1 VAL A 54 7.916 3.335 -1.714 1.00 52.41 C ATOM 952 CG2 VAL A 54 6.741 1.329 -2.692 1.00 33.12 C ATOM 0 H VAL A 54 8.438 0.144 -4.146 1.00 12.25 H new ATOM 0 HA VAL A 54 8.608 3.086 -4.145 1.00 54.11 H new ATOM 0 HB VAL A 54 8.650 1.332 -1.740 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.336 3.199 -0.801 1.00 52.41 H new ATOM 0 HG12 VAL A 54 8.894 3.747 -1.464 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.392 4.022 -2.378 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.184 1.233 -1.760 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.176 1.945 -3.391 1.00 33.12 H new ATOM 0 HG23 VAL A 54 6.898 0.341 -3.125 1.00 33.12 H new ATOM 962 N PRO A 55 10.929 3.457 -3.358 1.00 45.33 N ATOM 963 CA PRO A 55 12.348 3.670 -3.124 1.00 0.21 C ATOM 964 C PRO A 55 12.712 3.375 -1.668 1.00 50.22 C ATOM 965 O PRO A 55 12.091 3.904 -0.748 1.00 54.10 O ATOM 966 CB PRO A 55 12.599 5.116 -3.519 1.00 72.21 C ATOM 967 CG PRO A 55 11.237 5.792 -3.516 1.00 64.33 C ATOM 968 CD PRO A 55 10.177 4.703 -3.474 1.00 22.13 C ATOM 0 HA PRO A 55 12.977 2.998 -3.707 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.277 5.601 -2.816 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.063 5.177 -4.503 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.140 6.452 -2.654 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.115 6.409 -4.406 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.503 4.839 -2.628 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.564 4.713 -4.375 1.00 22.13 H new ATOM 976 N ASP A 56 13.720 2.531 -1.503 1.00 15.23 N ATOM 977 CA ASP A 56 14.176 2.160 -0.175 1.00 24.22 C ATOM 978 C ASP A 56 15.035 3.287 0.400 1.00 33.22 C ATOM 979 O ASP A 56 15.556 3.173 1.507 1.00 24.04 O ATOM 980 CB ASP A 56 15.031 0.891 -0.220 1.00 14.44 C ATOM 981 CG ASP A 56 16.163 0.838 0.807 1.00 63.42 C ATOM 982 OD1 ASP A 56 15.972 0.385 1.946 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.297 1.291 0.391 1.00 53.21 O ATOM 0 H ASP A 56 14.234 2.093 -2.268 1.00 15.23 H new ATOM 0 HA ASP A 56 13.297 1.982 0.444 1.00 24.22 H new ATOM 0 HB2 ASP A 56 14.382 0.028 -0.068 1.00 14.44 H new ATOM 0 HB3 ASP A 56 15.461 0.795 -1.217 1.00 14.44 H new ATOM 989 N HIS A 57 15.154 4.352 -0.380 1.00 42.54 N ATOM 990 CA HIS A 57 15.941 5.501 0.037 1.00 33.12 C ATOM 991 C HIS A 57 15.024 6.547 0.673 1.00 34.15 C ATOM 992 O HIS A 57 15.497 7.502 1.286 1.00 74.42 O ATOM 993 CB HIS A 57 16.753 6.057 -1.135 1.00 42.14 C ATOM 994 CG HIS A 57 15.961 6.944 -2.065 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.499 6.516 -3.297 1.00 2.30 N ATOM 996 CD2 HIS A 57 15.553 8.239 -1.929 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.844 7.516 -3.869 1.00 52.24 C ATOM 998 NE2 HIS A 57 14.879 8.583 -3.020 1.00 2.34 N ATOM 0 H HIS A 57 14.719 4.443 -1.298 1.00 42.54 H new ATOM 0 HA HIS A 57 16.665 5.196 0.793 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.598 6.622 -0.742 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.164 5.225 -1.706 1.00 42.14 H new ATOM 0 HD2 HIS A 57 15.746 8.876 -1.078 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.366 7.491 -4.837 1.00 52.24 H new ATOM 0 HE2 HIS A 57 14.457 9.495 -3.195 1.00 2.34 H new ATOM 1006 N VAL A 58 13.728 6.332 0.505 1.00 51.30 N ATOM 1007 CA VAL A 58 12.739 7.244 1.055 1.00 21.42 C ATOM 1008 C VAL A 58 11.956 6.535 2.161 1.00 52.34 C ATOM 1009 O VAL A 58 12.291 5.414 2.542 1.00 3.12 O ATOM 1010 CB VAL A 58 11.842 7.779 -0.064 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.651 8.051 -1.333 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.684 6.819 -0.344 1.00 52.14 C ATOM 0 H VAL A 58 13.339 5.539 -0.005 1.00 51.30 H new ATOM 0 HA VAL A 58 13.226 8.109 1.506 1.00 21.42 H new ATOM 0 HB VAL A 58 11.418 8.726 0.270 1.00 42.54 H new ATOM 0 HG11 VAL A 58 11.989 8.430 -2.112 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.423 8.791 -1.121 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.118 7.126 -1.672 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.062 7.223 -1.143 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.080 5.850 -0.647 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.084 6.700 0.558 1.00 52.14 H new ATOM 1022 N ASN A 59 10.930 7.218 2.646 1.00 3.10 N ATOM 1023 CA ASN A 59 10.097 6.667 3.703 1.00 53.34 C ATOM 1024 C ASN A 59 8.725 6.307 3.129 1.00 32.55 C ATOM 1025 O ASN A 59 8.427 6.623 1.978 1.00 53.32 O ATOM 1026 CB ASN A 59 9.888 7.684 4.826 1.00 31.55 C ATOM 1027 CG ASN A 59 11.010 8.724 4.841 1.00 54.00 C ATOM 1028 OD1 ASN A 59 12.184 8.410 4.728 1.00 22.23 O ATOM 1029 ND2 ASN A 59 10.585 9.976 4.984 1.00 14.31 N ATOM 0 H ASN A 59 10.656 8.147 2.327 1.00 3.10 H new ATOM 0 HA ASN A 59 10.599 5.786 4.104 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.927 8.182 4.696 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.852 7.169 5.786 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.257 10.743 5.004 1.00 14.31 H new ATOM 0 HD22 ASN A 59 9.587 10.169 5.073 1.00 14.31 H new ATOM 1036 N MET A 60 7.926 5.651 3.958 1.00 53.42 N ATOM 1037 CA MET A 60 6.593 5.245 3.547 1.00 63.50 C ATOM 1038 C MET A 60 5.733 6.461 3.196 1.00 72.03 C ATOM 1039 O MET A 60 4.791 6.355 2.412 1.00 33.53 O ATOM 1040 CB MET A 60 5.927 4.458 4.677 1.00 54.13 C ATOM 1041 CG MET A 60 5.272 5.400 5.689 1.00 71.53 C ATOM 1042 SD MET A 60 3.613 5.800 5.163 1.00 50.24 S ATOM 1043 CE MET A 60 2.955 4.157 4.933 1.00 24.12 C ATOM 0 H MET A 60 8.176 5.391 4.912 1.00 53.42 H new ATOM 0 HA MET A 60 6.682 4.618 2.660 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.177 3.785 4.263 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.669 3.838 5.180 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.248 4.931 6.673 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.862 6.311 5.785 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.866 4.195 4.954 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.286 3.764 3.972 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.311 3.507 5.733 1.00 24.12 H new ATOM 1053 N SER A 61 6.087 7.589 3.795 1.00 31.15 N ATOM 1054 CA SER A 61 5.360 8.824 3.555 1.00 60.52 C ATOM 1055 C SER A 61 5.400 9.175 2.067 1.00 5.42 C ATOM 1056 O SER A 61 4.357 9.324 1.433 1.00 42.35 O ATOM 1057 CB SER A 61 5.936 9.972 4.387 1.00 24.14 C ATOM 1058 OG SER A 61 6.010 11.185 3.643 1.00 33.42 O ATOM 0 H SER A 61 6.868 7.673 4.446 1.00 31.15 H new ATOM 0 HA SER A 61 4.324 8.675 3.858 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.317 10.126 5.271 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.931 9.701 4.739 1.00 24.14 H new ATOM 0 HG SER A 61 6.381 11.894 4.209 1.00 33.42 H new ATOM 1064 N GLU A 62 6.615 9.297 1.553 1.00 43.34 N ATOM 1065 CA GLU A 62 6.805 9.628 0.151 1.00 62.30 C ATOM 1066 C GLU A 62 5.818 8.844 -0.718 1.00 2.22 C ATOM 1067 O GLU A 62 5.102 9.426 -1.531 1.00 1.22 O ATOM 1068 CB GLU A 62 8.247 9.365 -0.285 1.00 23.32 C ATOM 1069 CG GLU A 62 9.107 10.619 -0.119 1.00 33.21 C ATOM 1070 CD GLU A 62 10.259 10.631 -1.126 1.00 21.13 C ATOM 1071 OE1 GLU A 62 11.340 11.161 -0.824 1.00 65.32 O ATOM 1072 OE2 GLU A 62 10.003 10.063 -2.254 1.00 22.24 O ATOM 0 H GLU A 62 7.478 9.173 2.082 1.00 43.34 H new ATOM 0 HA GLU A 62 6.609 10.692 0.020 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.667 8.551 0.306 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.263 9.044 -1.327 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.491 11.508 -0.255 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.505 10.660 0.895 1.00 33.21 H new ATOM 1080 N LEU A 63 5.813 7.534 -0.516 1.00 75.35 N ATOM 1081 CA LEU A 63 4.927 6.664 -1.271 1.00 71.31 C ATOM 1082 C LEU A 63 3.543 7.311 -1.365 1.00 34.30 C ATOM 1083 O LEU A 63 2.917 7.293 -2.423 1.00 74.31 O ATOM 1084 CB LEU A 63 4.909 5.260 -0.663 1.00 53.52 C ATOM 1085 CG LEU A 63 3.602 4.479 -0.817 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.305 4.195 -2.291 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.627 3.198 0.020 1.00 23.34 C ATOM 0 H LEU A 63 6.408 7.054 0.159 1.00 75.35 H new ATOM 0 HA LEU A 63 5.292 6.540 -2.291 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.712 4.679 -1.117 1.00 53.52 H new ATOM 0 HB3 LEU A 63 5.137 5.343 0.400 1.00 53.52 H new ATOM 0 HG LEU A 63 2.788 5.096 -0.437 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.371 3.639 -2.373 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.215 5.137 -2.832 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.117 3.606 -2.719 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.687 2.662 -0.107 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.452 2.566 -0.307 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.760 3.453 1.071 1.00 23.34 H new ATOM 1099 N ILE A 64 3.107 7.866 -0.243 1.00 23.04 N ATOM 1100 CA ILE A 64 1.809 8.517 -0.186 1.00 61.52 C ATOM 1101 C ILE A 64 1.733 9.588 -1.276 1.00 62.30 C ATOM 1102 O ILE A 64 0.853 9.543 -2.135 1.00 14.00 O ATOM 1103 CB ILE A 64 1.539 9.051 1.222 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.838 7.986 2.279 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.112 9.591 1.339 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.253 6.633 1.874 1.00 54.44 C ATOM 0 H ILE A 64 3.629 7.878 0.633 1.00 23.04 H new ATOM 0 HA ILE A 64 1.013 7.800 -0.387 1.00 61.52 H new ATOM 0 HB ILE A 64 2.215 9.886 1.407 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.916 7.895 2.414 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.422 8.294 3.238 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.054 9.964 2.349 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.030 10.402 0.625 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.598 8.792 1.126 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.480 5.894 2.642 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.172 6.722 1.764 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.689 6.317 0.926 1.00 54.44 H new ATOM 1118 N LYS A 65 2.664 10.527 -1.205 1.00 65.21 N ATOM 1119 CA LYS A 65 2.714 11.607 -2.175 1.00 4.50 C ATOM 1120 C LYS A 65 2.773 11.019 -3.586 1.00 41.42 C ATOM 1121 O LYS A 65 2.190 11.570 -4.517 1.00 64.31 O ATOM 1122 CB LYS A 65 3.868 12.561 -1.857 1.00 50.41 C ATOM 1123 CG LYS A 65 3.726 13.142 -0.448 1.00 31.50 C ATOM 1124 CD LYS A 65 5.026 13.814 0.000 1.00 14.42 C ATOM 1125 CE LYS A 65 4.761 14.829 1.114 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.855 15.824 1.178 1.00 21.21 N ATOM 0 H LYS A 65 3.391 10.562 -0.490 1.00 65.21 H new ATOM 0 HA LYS A 65 1.808 12.210 -2.119 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.817 12.031 -1.942 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.888 13.370 -2.588 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.912 13.867 -0.430 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.462 12.349 0.252 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.728 13.058 0.351 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.493 14.313 -0.849 1.00 14.42 H new ATOM 0 HE2 LYS A 65 3.812 15.334 0.936 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.673 14.314 2.071 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.660 16.506 1.939 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.755 15.339 1.370 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 5.920 16.328 0.270 1.00 21.21 H new ATOM 1139 N ILE A 66 3.485 9.907 -3.699 1.00 54.04 N ATOM 1140 CA ILE A 66 3.629 9.237 -4.981 1.00 32.11 C ATOM 1141 C ILE A 66 2.286 8.625 -5.384 1.00 63.23 C ATOM 1142 O ILE A 66 1.968 8.543 -6.570 1.00 3.21 O ATOM 1143 CB ILE A 66 4.776 8.226 -4.931 1.00 32.41 C ATOM 1144 CG1 ILE A 66 6.104 8.919 -4.620 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.844 7.410 -6.224 1.00 33.32 C ATOM 1146 CD1 ILE A 66 7.284 7.975 -4.863 1.00 42.45 C ATOM 0 H ILE A 66 3.968 9.453 -2.924 1.00 54.04 H new ATOM 0 HA ILE A 66 3.900 9.952 -5.757 1.00 32.11 H new ATOM 0 HB ILE A 66 4.580 7.526 -4.119 1.00 32.41 H new ATOM 0 HG12 ILE A 66 6.210 9.807 -5.243 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.109 9.255 -3.583 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.668 6.699 -6.163 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.908 6.870 -6.363 1.00 33.32 H new ATOM 0 HG23 ILE A 66 5.005 8.080 -7.069 1.00 33.32 H new ATOM 0 HD11 ILE A 66 8.216 8.492 -4.635 1.00 42.45 H new ATOM 0 HD12 ILE A 66 7.188 7.099 -4.221 1.00 42.45 H new ATOM 0 HD13 ILE A 66 7.290 7.661 -5.907 1.00 42.45 H new ATOM 1158 N ILE A 67 1.534 8.209 -4.376 1.00 34.24 N ATOM 1159 CA ILE A 67 0.233 7.607 -4.611 1.00 32.34 C ATOM 1160 C ILE A 67 -0.760 8.694 -5.026 1.00 73.40 C ATOM 1161 O ILE A 67 -1.223 8.716 -6.166 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.213 6.801 -3.390 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.565 5.488 -3.286 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.726 6.570 -3.407 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.329 4.610 -4.517 1.00 74.11 C ATOM 0 H ILE A 67 1.801 8.277 -3.394 1.00 34.24 H new ATOM 0 HA ILE A 67 0.287 6.893 -5.433 1.00 32.34 H new ATOM 0 HB ILE A 67 0.014 7.382 -2.496 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.630 5.699 -3.185 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.260 4.951 -2.388 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.016 5.995 -2.528 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.241 7.531 -3.398 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.000 6.020 -4.307 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.894 3.683 -4.417 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.733 4.380 -4.602 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.658 5.140 -5.411 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.060 9.571 -4.078 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.990 10.658 -4.331 1.00 13.42 C ATOM 1179 C ARG A 68 -1.734 11.265 -5.711 1.00 51.22 C ATOM 1180 O ARG A 68 -2.674 11.566 -6.445 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.861 11.751 -3.268 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.507 12.458 -3.370 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.281 13.385 -2.174 1.00 24.23 C ATOM 1184 NE ARG A 68 0.733 14.408 -2.511 1.00 63.13 N ATOM 1185 CZ ARG A 68 1.027 15.469 -1.730 1.00 75.11 C ATOM 1186 NH1 ARG A 68 0.385 15.654 -0.556 1.00 73.42 N ATOM 1187 NH2 ARG A 68 1.952 16.322 -2.130 1.00 64.55 N ATOM 0 H ARG A 68 -0.675 9.550 -3.134 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.999 10.247 -4.293 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.665 12.477 -3.389 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.973 11.314 -2.276 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.291 11.717 -3.417 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.462 13.034 -4.294 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -1.218 13.868 -1.895 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.048 12.806 -1.311 1.00 24.23 H new ATOM 0 HE ARG A 68 1.242 14.305 -3.389 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.328 14.989 -0.254 1.00 73.42 H new ATOM 0 HH12 ARG A 68 0.613 16.458 0.029 1.00 73.42 H new ATOM 0 HH21 ARG A 68 2.433 16.174 -3.017 1.00 64.55 H new ATOM 0 HH22 ARG A 68 2.186 17.129 -1.552 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.457 11.428 -6.024 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.065 11.994 -7.303 1.00 45.24 C ATOM 1202 C ARG A 69 -0.563 11.110 -8.449 1.00 0.14 C ATOM 1203 O ARG A 69 -1.061 11.615 -9.455 1.00 4.20 O ATOM 1204 CB ARG A 69 1.455 12.135 -7.400 1.00 70.32 C ATOM 1205 CG ARG A 69 1.915 13.493 -6.867 1.00 44.21 C ATOM 1206 CD ARG A 69 2.059 14.509 -8.002 1.00 0.22 C ATOM 1207 NE ARG A 69 0.845 15.353 -8.082 1.00 10.40 N ATOM 1208 CZ ARG A 69 0.475 16.045 -9.181 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.223 15.997 -10.305 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -0.628 16.767 -9.141 1.00 11.44 N ATOM 0 H ARG A 69 0.320 11.178 -5.413 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.516 12.983 -7.380 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.935 11.337 -6.834 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.769 12.022 -8.438 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.198 13.861 -6.134 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.869 13.381 -6.352 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.936 15.134 -7.833 1.00 0.22 H new ATOM 0 HD3 ARG A 69 2.215 13.990 -8.948 1.00 0.22 H new ATOM 0 HE ARG A 69 0.251 15.416 -7.255 1.00 10.40 H new ATOM 0 HH11 ARG A 69 2.074 15.435 -10.328 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.937 16.523 -11.131 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.187 16.797 -8.289 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -0.922 17.296 -9.962 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.412 9.809 -8.258 1.00 44.14 N ATOM 1224 CA ARG A 70 -0.841 8.850 -9.264 1.00 12.55 C ATOM 1225 C ARG A 70 -2.351 8.956 -9.488 1.00 23.22 C ATOM 1226 O ARG A 70 -2.818 8.893 -10.624 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.493 7.421 -8.844 1.00 25.13 C ATOM 1228 CG ARG A 70 0.691 6.885 -9.653 1.00 50.40 C ATOM 1229 CD ARG A 70 1.115 5.503 -9.153 1.00 24.25 C ATOM 1230 NE ARG A 70 1.148 4.544 -10.281 1.00 54.32 N ATOM 1231 CZ ARG A 70 1.993 4.641 -11.330 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.882 5.653 -11.404 1.00 51.00 N ATOM 1233 NH2 ARG A 70 1.937 3.729 -12.283 1.00 40.12 N ATOM 0 H ARG A 70 0.001 9.395 -7.422 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.316 9.082 -10.191 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.252 7.399 -7.781 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.359 6.775 -8.988 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.419 6.827 -10.707 1.00 50.40 H new ATOM 0 HG3 ARG A 70 1.530 7.576 -9.578 1.00 50.40 H new ATOM 0 HD2 ARG A 70 2.098 5.562 -8.686 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.420 5.155 -8.389 1.00 24.25 H new ATOM 0 HE ARG A 70 0.493 3.763 -10.265 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.920 6.354 -10.664 1.00 51.00 H new ATOM 0 HH12 ARG A 70 3.516 5.718 -12.200 1.00 51.00 H new ATOM 0 HH21 ARG A 70 1.263 2.966 -12.220 1.00 40.12 H new ATOM 0 HH22 ARG A 70 2.568 3.787 -13.082 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.071 9.115 -8.387 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.518 9.230 -8.451 1.00 61.25 C ATOM 1248 C LEU A 71 -4.892 10.606 -9.004 1.00 45.53 C ATOM 1249 O LEU A 71 -6.039 10.835 -9.386 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.139 8.927 -7.086 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.001 7.486 -6.591 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.223 7.401 -5.080 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -5.935 6.550 -7.361 1.00 31.15 C ATOM 0 H LEU A 71 -2.680 9.167 -7.446 1.00 54.34 H new ATOM 0 HA LEU A 71 -4.930 8.488 -9.136 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.686 9.589 -6.348 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.199 9.176 -7.128 1.00 11.24 H new ATOM 0 HG LEU A 71 -3.981 7.155 -6.785 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.119 6.366 -4.755 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.484 8.018 -4.568 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.224 7.759 -4.839 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -5.817 5.532 -6.990 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -6.967 6.870 -7.221 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -5.687 6.580 -8.422 1.00 31.15 H new ATOM 1265 N GLN A 72 -3.903 11.487 -9.032 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.114 12.834 -9.533 1.00 2.32 C ATOM 1267 C GLN A 72 -5.466 13.370 -9.060 1.00 41.52 C ATOM 1268 O GLN A 72 -6.250 13.880 -9.860 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.011 12.874 -11.059 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.040 11.942 -11.702 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.155 12.206 -13.205 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.216 13.335 -13.660 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.180 11.102 -13.948 1.00 53.14 N ATOM 0 H GLN A 72 -2.953 11.294 -8.716 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.330 13.477 -9.132 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.168 13.893 -11.411 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.007 12.581 -11.367 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -4.752 10.904 -11.532 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.011 12.085 -11.229 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.125 10.186 -13.502 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.254 11.172 -14.963 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.699 13.237 -7.763 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.944 13.702 -7.175 1.00 53.22 C ATOM 1284 C LEU A 73 -6.829 15.195 -6.862 1.00 1.12 C ATOM 1285 O LEU A 73 -5.818 15.822 -7.174 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.315 12.846 -5.962 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.123 11.337 -6.121 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.701 10.695 -4.798 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.378 10.682 -6.702 1.00 40.04 C ATOM 0 H LEU A 73 -5.047 12.814 -7.102 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.766 13.587 -7.882 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.721 13.180 -5.111 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.360 13.035 -5.715 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.314 11.169 -6.832 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.571 9.622 -4.939 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.760 11.133 -4.465 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.470 10.872 -4.046 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.214 9.609 -6.805 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.222 10.858 -6.035 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.593 11.111 -7.681 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.878 15.722 -6.248 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.908 17.129 -5.890 1.00 74.20 C ATOM 1303 C ASN A 74 -7.989 17.262 -4.368 1.00 51.40 C ATOM 1304 O ASN A 74 -7.923 16.266 -3.650 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.131 17.826 -6.492 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.817 18.382 -7.882 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.704 18.299 -8.375 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.857 18.951 -8.484 1.00 1.30 N ATOM 0 H ASN A 74 -8.714 15.199 -5.989 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.002 17.594 -6.277 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.960 17.121 -6.557 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.452 18.636 -5.837 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.750 19.352 -9.416 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.762 18.986 -8.014 1.00 1.30 H new ATOM 1315 N ALA A 75 -8.130 18.502 -3.921 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.221 18.777 -2.497 1.00 24.42 C ATOM 1317 C ALA A 75 -9.589 18.327 -1.981 1.00 44.43 C ATOM 1318 O ALA A 75 -9.748 18.048 -0.794 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.964 20.264 -2.248 1.00 14.40 C ATOM 0 H ALA A 75 -8.183 19.326 -4.519 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.463 18.218 -1.949 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -8.032 20.471 -1.180 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.968 20.526 -2.606 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.708 20.856 -2.781 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.543 18.271 -2.899 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.892 17.860 -2.552 1.00 24.12 C ATOM 1327 C ASN A 76 -11.921 16.345 -2.339 1.00 74.34 C ATOM 1328 O ASN A 76 -12.739 15.837 -1.573 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.877 18.198 -3.673 1.00 13.50 C ATOM 1330 CG ASN A 76 -12.590 17.366 -4.924 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -13.023 16.110 -4.849 1.00 13.31 O flip ATOM 1332 ND2 ASN A 76 -12.015 17.832 -5.893 1.00 33.55 N flip ATOM 0 H ASN A 76 -10.408 18.504 -3.883 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.182 18.390 -1.645 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -13.896 18.013 -3.334 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.809 19.259 -3.914 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -11.709 18.805 -5.885 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -11.840 17.249 -6.712 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.017 15.665 -3.029 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.928 14.219 -2.926 1.00 23.14 C ATOM 1341 C GLN A 77 -9.917 13.826 -1.846 1.00 75.30 C ATOM 1342 O GLN A 77 -8.738 14.157 -1.945 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.562 13.594 -4.273 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.157 12.128 -4.106 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.356 11.272 -3.690 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.401 11.002 -2.388 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.183 10.883 -4.498 1.00 2.12 N flip ATOM 0 H GLN A 77 -10.339 16.090 -3.662 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.906 13.834 -2.639 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.411 13.665 -4.953 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.743 14.152 -4.726 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.744 11.752 -5.042 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.370 12.047 -3.356 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.087 11.128 -5.484 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.970 10.313 -4.188 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.418 13.124 -0.840 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.573 12.681 0.257 1.00 43.41 C ATOM 1358 C ALA A 78 -8.972 11.317 -0.087 1.00 61.31 C ATOM 1359 O ALA A 78 -9.661 10.447 -0.617 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.391 12.649 1.549 1.00 61.34 C ATOM 0 H ALA A 78 -11.398 12.851 -0.761 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.747 13.375 0.411 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.758 12.317 2.372 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.771 13.648 1.764 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.227 11.959 1.433 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.693 11.174 0.228 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.990 9.930 -0.039 1.00 50.43 C ATOM 1368 C PHE A 79 -6.131 9.518 1.156 1.00 43.02 C ATOM 1369 O PHE A 79 -5.403 10.338 1.715 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.082 10.181 -1.244 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.768 9.398 -1.207 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.785 8.039 -1.263 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.584 10.060 -1.118 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.566 7.311 -1.229 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.365 9.332 -1.082 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.381 7.974 -1.138 1.00 20.55 C ATOM 0 H PHE A 79 -7.125 11.899 0.666 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.706 9.130 -0.228 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.623 9.921 -2.154 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.857 11.246 -1.301 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.726 7.513 -1.333 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.570 11.139 -1.075 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.579 6.232 -1.275 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.424 9.858 -1.010 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.454 7.421 -1.110 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.240 8.246 1.513 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.481 7.715 2.632 1.00 53.43 C ATOM 1388 C PHE A 80 -5.027 6.280 2.355 1.00 1.31 C ATOM 1389 O PHE A 80 -5.846 5.414 2.050 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.413 7.717 3.846 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.533 9.077 4.536 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.414 9.730 4.951 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.758 9.634 4.734 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -5.525 10.993 5.592 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -7.869 10.896 5.375 1.00 2.11 C ATOM 1396 CZ PHE A 80 -6.750 11.549 5.790 1.00 53.22 C ATOM 0 H PHE A 80 -6.843 7.568 1.047 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.592 8.323 2.800 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.405 7.392 3.530 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.053 6.985 4.569 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.441 9.288 4.793 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.646 9.116 4.404 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -4.637 11.511 5.922 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -8.842 11.338 5.533 1.00 2.11 H new ATOM 0 HZ PHE A 80 -6.835 12.509 6.277 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.724 6.072 2.470 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.152 4.757 2.236 1.00 10.45 C ATOM 1408 C LEU A 81 -3.092 3.990 3.558 1.00 41.41 C ATOM 1409 O LEU A 81 -2.371 4.380 4.475 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.798 4.880 1.533 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.246 3.594 0.914 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.366 2.583 0.659 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.448 3.897 -0.356 1.00 32.24 C ATOM 0 H LEU A 81 -3.047 6.792 2.722 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.784 4.180 1.561 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.886 5.630 0.747 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.070 5.256 2.252 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.558 3.139 1.627 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.946 1.678 0.219 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.854 2.335 1.602 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.097 3.014 -0.025 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.066 2.967 -0.777 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.095 4.386 -1.084 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.387 4.555 -0.113 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.859 2.911 3.614 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.901 2.084 4.808 1.00 2.41 C ATOM 1427 C LEU A 82 -2.834 0.992 4.706 1.00 23.30 C ATOM 1428 O LEU A 82 -2.984 0.042 3.939 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.314 1.543 5.036 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.346 2.554 5.539 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.785 3.376 6.701 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.847 3.442 4.399 1.00 2.33 C ATOM 0 H LEU A 82 -4.456 2.590 2.852 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.666 2.679 5.691 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.676 1.121 4.099 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.257 0.724 5.753 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.207 2.003 5.918 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.538 4.087 7.040 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.518 2.711 7.522 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.898 3.917 6.370 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.579 4.151 4.785 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -6.008 3.987 3.966 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.311 2.822 3.632 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.780 1.164 5.491 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.689 0.205 5.498 1.00 54.23 C ATOM 1446 C VAL A 83 -1.100 -1.023 6.313 1.00 0.12 C ATOM 1447 O VAL A 83 -1.247 -0.944 7.531 1.00 11.13 O ATOM 1448 CB VAL A 83 0.587 0.868 6.020 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.548 -0.171 6.600 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.266 1.689 4.922 1.00 25.30 C ATOM 0 H VAL A 83 -1.659 1.953 6.126 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.473 -0.134 4.485 1.00 54.23 H new ATOM 0 HB VAL A 83 0.306 1.549 6.823 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.447 0.327 6.964 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.064 -0.694 7.425 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.819 -0.888 5.825 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.171 2.150 5.319 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.527 1.037 4.089 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.585 2.466 4.575 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.274 -2.131 5.606 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.664 -3.374 6.249 1.00 22.42 C ATOM 1462 C ASN A 84 -3.087 -3.235 6.795 1.00 41.23 C ATOM 1463 O ASN A 84 -3.559 -4.098 7.535 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.738 -3.704 7.421 1.00 70.52 C ATOM 1465 CG ASN A 84 0.153 -4.905 7.095 1.00 20.31 C ATOM 1466 OD1 ASN A 84 -0.058 -5.623 6.131 1.00 32.51 O ATOM 1467 ND2 ASN A 84 1.155 -5.083 7.950 1.00 73.33 N ATOM 0 H ASN A 84 -1.152 -2.193 4.595 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.603 -4.170 5.507 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.117 -2.839 7.653 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.332 -3.918 8.309 1.00 70.52 H new ATOM 0 HD21 ASN A 84 1.805 -5.858 7.820 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.274 -4.444 8.736 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.731 -2.142 6.411 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.089 -1.879 6.853 1.00 4.21 C ATOM 1476 C GLY A 85 -5.110 -0.828 7.964 1.00 61.15 C ATOM 1477 O GLY A 85 -6.142 -0.611 8.599 1.00 20.01 O ATOM 0 H GLY A 85 -3.336 -1.428 5.798 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.689 -1.535 6.011 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.544 -2.802 7.212 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.959 -0.203 8.166 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.832 0.820 9.190 1.00 11.12 C ATOM 1483 C HIS A 86 -3.173 2.064 8.593 1.00 50.33 C ATOM 1484 O HIS A 86 -2.236 1.956 7.803 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.085 0.279 10.409 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.754 -0.356 10.082 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.611 0.384 9.830 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.396 -1.667 9.967 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.382 -0.454 9.576 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.106 -1.726 9.661 1.00 4.14 N ATOM 0 H HIS A 86 -3.106 -0.386 7.638 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.821 1.111 9.544 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.924 1.094 11.115 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.714 -0.457 10.910 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -2.052 -2.514 10.102 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.400 -0.179 9.342 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.432 -2.580 9.514 1.00 4.14 H new ATOM 1498 N SER A 87 -3.687 3.217 8.994 1.00 21.12 N ATOM 1499 CA SER A 87 -3.158 4.481 8.508 1.00 35.33 C ATOM 1500 C SER A 87 -1.669 4.589 8.842 1.00 12.03 C ATOM 1501 O SER A 87 -1.127 3.747 9.556 1.00 44.20 O ATOM 1502 CB SER A 87 -3.924 5.663 9.105 1.00 21.01 C ATOM 1503 OG SER A 87 -3.220 6.260 10.192 1.00 72.54 O ATOM 0 H SER A 87 -4.464 3.303 9.650 1.00 21.12 H new ATOM 0 HA SER A 87 -3.283 4.511 7.426 1.00 35.33 H new ATOM 0 HB2 SER A 87 -4.098 6.411 8.331 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.902 5.326 9.448 1.00 21.01 H new ATOM 0 HG SER A 87 -3.793 6.926 10.626 1.00 72.54 H new ATOM 1509 N MET A 88 -1.050 5.634 8.311 1.00 23.44 N ATOM 1510 CA MET A 88 0.366 5.863 8.544 1.00 70.11 C ATOM 1511 C MET A 88 0.623 7.306 8.981 1.00 34.21 C ATOM 1512 O MET A 88 1.684 7.863 8.703 1.00 30.24 O ATOM 1513 CB MET A 88 1.148 5.570 7.262 1.00 23.21 C ATOM 1514 CG MET A 88 0.342 5.968 6.025 1.00 12.04 C ATOM 1515 SD MET A 88 -0.100 7.696 6.114 1.00 73.31 S ATOM 1516 CE MET A 88 -1.854 7.584 5.801 1.00 51.33 C ATOM 0 H MET A 88 -1.503 6.331 7.720 1.00 23.44 H new ATOM 0 HA MET A 88 0.697 5.198 9.342 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.092 6.114 7.276 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.392 4.509 7.215 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.926 5.779 5.124 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.558 5.357 5.955 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.382 8.306 6.424 1.00 51.33 H new ATOM 0 HE2 MET A 88 -2.051 7.799 4.751 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.202 6.579 6.037 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.366 7.871 9.658 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.260 9.238 10.136 1.00 62.21 C ATOM 1528 C VAL A 89 0.989 9.374 11.009 1.00 24.13 C ATOM 1529 O VAL A 89 1.471 10.482 11.243 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.544 9.638 10.866 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.414 11.033 11.480 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.753 9.562 9.930 1.00 72.21 C ATOM 0 H VAL A 89 -1.245 7.406 9.887 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.148 9.927 9.299 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.703 8.928 11.678 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.340 11.293 11.993 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -0.590 11.041 12.193 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -1.219 11.761 10.692 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.653 9.851 10.473 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -2.604 10.238 9.088 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.864 8.542 9.561 1.00 72.21 H new ATOM 1542 N SER A 90 1.479 8.231 11.467 1.00 43.15 N ATOM 1543 CA SER A 90 2.663 8.208 12.308 1.00 5.54 C ATOM 1544 C SER A 90 3.870 7.726 11.501 1.00 40.34 C ATOM 1545 O SER A 90 4.812 7.165 12.059 1.00 35.33 O ATOM 1546 CB SER A 90 2.452 7.313 13.532 1.00 14.32 C ATOM 1547 OG SER A 90 3.567 7.352 14.420 1.00 2.52 O ATOM 0 H SER A 90 1.077 7.314 11.271 1.00 43.15 H new ATOM 0 HA SER A 90 2.851 9.222 12.660 1.00 5.54 H new ATOM 0 HB2 SER A 90 1.554 7.630 14.063 1.00 14.32 H new ATOM 0 HB3 SER A 90 2.284 6.287 13.206 1.00 14.32 H new ATOM 0 HG SER A 90 4.394 7.444 13.903 1.00 2.52 H new ATOM 1553 N VAL A 91 3.802 7.962 10.199 1.00 73.43 N ATOM 1554 CA VAL A 91 4.878 7.559 9.309 1.00 23.12 C ATOM 1555 C VAL A 91 6.221 7.954 9.927 1.00 2.11 C ATOM 1556 O VAL A 91 6.674 9.086 9.765 1.00 34.04 O ATOM 1557 CB VAL A 91 4.659 8.161 7.919 1.00 41.51 C ATOM 1558 CG1 VAL A 91 3.992 9.535 8.015 1.00 4.23 C ATOM 1559 CG2 VAL A 91 5.976 8.244 7.144 1.00 15.53 C ATOM 0 H VAL A 91 3.019 8.427 9.739 1.00 73.43 H new ATOM 0 HA VAL A 91 4.885 6.476 9.183 1.00 23.12 H new ATOM 0 HB VAL A 91 3.988 7.501 7.370 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.848 9.940 7.013 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.025 9.437 8.509 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.627 10.208 8.591 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.792 8.675 6.160 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.680 8.872 7.690 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.395 7.244 7.030 1.00 15.53 H new ATOM 1569 N SER A 92 6.819 6.998 10.623 1.00 1.13 N ATOM 1570 CA SER A 92 8.101 7.232 11.265 1.00 51.40 C ATOM 1571 C SER A 92 9.083 6.119 10.894 1.00 74.42 C ATOM 1572 O SER A 92 10.171 6.032 11.460 1.00 22.05 O ATOM 1573 CB SER A 92 7.947 7.319 12.785 1.00 12.45 C ATOM 1574 OG SER A 92 6.814 6.590 13.249 1.00 11.51 O ATOM 0 H SER A 92 6.440 6.061 10.756 1.00 1.13 H new ATOM 0 HA SER A 92 8.492 8.186 10.911 1.00 51.40 H new ATOM 0 HB2 SER A 92 8.847 6.933 13.263 1.00 12.45 H new ATOM 0 HB3 SER A 92 7.852 8.364 13.081 1.00 12.45 H new ATOM 0 HG SER A 92 5.994 7.023 12.932 1.00 11.51 H new ATOM 1580 N THR A 93 8.663 5.296 9.946 1.00 61.14 N ATOM 1581 CA THR A 93 9.491 4.191 9.492 1.00 63.22 C ATOM 1582 C THR A 93 9.693 4.262 7.978 1.00 21.35 C ATOM 1583 O THR A 93 8.795 4.677 7.247 1.00 40.15 O ATOM 1584 CB THR A 93 8.839 2.888 9.958 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.069 2.867 11.364 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.573 1.649 9.441 1.00 72.01 C ATOM 0 H THR A 93 7.759 5.372 9.479 1.00 61.14 H new ATOM 0 HA THR A 93 10.490 4.243 9.924 1.00 63.22 H new ATOM 0 HB THR A 93 7.802 2.861 9.624 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.677 2.055 11.748 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.070 0.751 9.800 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.572 1.654 8.351 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.601 1.658 9.803 1.00 72.01 H new ATOM 1594 N PRO A 94 10.910 3.842 7.539 1.00 14.14 N ATOM 1595 CA PRO A 94 11.240 3.854 6.124 1.00 74.20 C ATOM 1596 C PRO A 94 10.540 2.711 5.387 1.00 15.02 C ATOM 1597 O PRO A 94 10.435 1.602 5.911 1.00 45.33 O ATOM 1598 CB PRO A 94 12.757 3.754 6.073 1.00 44.34 C ATOM 1599 CG PRO A 94 13.184 3.223 7.432 1.00 22.42 C ATOM 1600 CD PRO A 94 11.998 3.345 8.375 1.00 54.04 C ATOM 0 HA PRO A 94 10.896 4.757 5.620 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.078 3.086 5.274 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.206 4.727 5.875 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.503 2.184 7.353 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.034 3.789 7.813 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.747 2.383 8.822 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.213 4.031 9.195 1.00 54.04 H new ATOM 1608 N ILE A 95 10.081 3.019 4.183 1.00 43.23 N ATOM 1609 CA ILE A 95 9.395 2.030 3.369 1.00 11.34 C ATOM 1610 C ILE A 95 10.232 0.750 3.313 1.00 4.52 C ATOM 1611 O ILE A 95 9.703 -0.331 3.060 1.00 11.01 O ATOM 1612 CB ILE A 95 9.062 2.608 1.992 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.029 1.742 1.269 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.331 2.802 1.158 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.669 2.441 1.218 1.00 23.35 C ATOM 0 H ILE A 95 10.171 3.939 3.752 1.00 43.23 H new ATOM 0 HA ILE A 95 8.438 1.765 3.818 1.00 11.34 H new ATOM 0 HB ILE A 95 8.615 3.592 2.133 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.371 1.530 0.256 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.931 0.784 1.779 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.067 3.214 0.184 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.003 3.489 1.672 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.828 1.841 1.023 1.00 74.51 H new ATOM 0 HD11 ILE A 95 5.952 1.805 0.699 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.319 2.630 2.233 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.766 3.387 0.686 1.00 23.35 H new ATOM 1627 N SER A 96 11.524 0.916 3.555 1.00 11.42 N ATOM 1628 CA SER A 96 12.440 -0.212 3.536 1.00 51.52 C ATOM 1629 C SER A 96 12.156 -1.136 4.722 1.00 41.31 C ATOM 1630 O SER A 96 12.198 -2.358 4.585 1.00 24.42 O ATOM 1631 CB SER A 96 13.895 0.259 3.567 1.00 73.11 C ATOM 1632 OG SER A 96 14.257 0.791 4.838 1.00 50.12 O ATOM 0 H SER A 96 11.958 1.815 3.765 1.00 11.42 H new ATOM 0 HA SER A 96 12.285 -0.763 2.608 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.552 -0.576 3.323 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.047 1.018 2.800 1.00 73.11 H new ATOM 0 HG SER A 96 15.226 0.931 4.870 1.00 50.12 H new ATOM 1638 N GLU A 97 11.873 -0.517 5.858 1.00 73.25 N ATOM 1639 CA GLU A 97 11.583 -1.269 7.067 1.00 22.40 C ATOM 1640 C GLU A 97 10.097 -1.632 7.123 1.00 74.43 C ATOM 1641 O GLU A 97 9.745 -2.800 7.284 1.00 53.53 O ATOM 1642 CB GLU A 97 12.003 -0.488 8.314 1.00 24.31 C ATOM 1643 CG GLU A 97 13.490 -0.132 8.262 1.00 14.32 C ATOM 1644 CD GLU A 97 14.344 -1.257 8.851 1.00 13.10 C ATOM 1645 OE1 GLU A 97 13.937 -1.895 9.833 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.468 -1.460 8.251 1.00 21.14 O ATOM 0 H GLU A 97 11.838 0.497 5.967 1.00 73.25 H new ATOM 0 HA GLU A 97 12.163 -2.192 7.044 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.410 0.423 8.394 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.798 -1.081 9.205 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.787 0.053 7.230 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.666 0.791 8.815 1.00 14.32 H new ATOM 1654 N VAL A 98 9.265 -0.609 6.987 1.00 73.03 N ATOM 1655 CA VAL A 98 7.826 -0.805 7.020 1.00 14.31 C ATOM 1656 C VAL A 98 7.469 -2.059 6.219 1.00 14.23 C ATOM 1657 O VAL A 98 6.483 -2.732 6.519 1.00 62.31 O ATOM 1658 CB VAL A 98 7.116 0.451 6.512 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.722 0.114 5.978 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.041 1.519 7.606 1.00 53.40 C ATOM 0 H VAL A 98 9.561 0.358 6.854 1.00 73.03 H new ATOM 0 HA VAL A 98 7.485 -0.964 8.043 1.00 14.31 H new ATOM 0 HB VAL A 98 7.702 0.857 5.687 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.239 1.024 5.623 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.809 -0.595 5.155 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.124 -0.327 6.775 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.532 2.401 7.219 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.489 1.127 8.460 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.049 1.790 7.919 1.00 53.40 H new ATOM 1670 N TYR A 99 8.289 -2.336 5.216 1.00 23.41 N ATOM 1671 CA TYR A 99 8.071 -3.497 4.370 1.00 72.23 C ATOM 1672 C TYR A 99 8.503 -4.782 5.081 1.00 41.42 C ATOM 1673 O TYR A 99 7.702 -5.699 5.254 1.00 44.51 O ATOM 1674 CB TYR A 99 8.951 -3.291 3.136 1.00 73.42 C ATOM 1675 CG TYR A 99 9.138 -4.550 2.287 1.00 71.20 C ATOM 1676 CD1 TYR A 99 8.237 -4.846 1.284 1.00 72.44 C ATOM 1677 CD2 TYR A 99 10.205 -5.391 2.524 1.00 10.12 C ATOM 1678 CE1 TYR A 99 8.412 -6.030 0.485 1.00 65.15 C ATOM 1679 CE2 TYR A 99 10.381 -6.576 1.726 1.00 13.41 C ATOM 1680 CZ TYR A 99 9.476 -6.837 0.745 1.00 12.34 C ATOM 1681 OH TYR A 99 9.641 -7.956 -0.009 1.00 34.03 O ATOM 0 H TYR A 99 9.106 -1.776 4.970 1.00 23.41 H new ATOM 0 HA TYR A 99 7.015 -3.596 4.119 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.512 -2.509 2.516 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.929 -2.933 3.456 1.00 73.42 H new ATOM 0 HD1 TYR A 99 7.400 -4.189 1.099 1.00 72.44 H new ATOM 0 HD2 TYR A 99 10.909 -5.160 3.309 1.00 10.12 H new ATOM 0 HE1 TYR A 99 7.715 -6.272 -0.303 1.00 65.15 H new ATOM 0 HE2 TYR A 99 11.212 -7.242 1.902 1.00 13.41 H new ATOM 0 HH TYR A 99 10.442 -8.435 0.288 1.00 34.03 H new ATOM 1691 N GLU A 100 9.768 -4.806 5.474 1.00 24.12 N ATOM 1692 CA GLU A 100 10.315 -5.963 6.162 1.00 10.14 C ATOM 1693 C GLU A 100 9.735 -6.065 7.574 1.00 24.24 C ATOM 1694 O GLU A 100 10.010 -7.022 8.294 1.00 64.34 O ATOM 1695 CB GLU A 100 11.843 -5.905 6.200 1.00 52.12 C ATOM 1696 CG GLU A 100 12.327 -4.611 6.857 1.00 41.55 C ATOM 1697 CD GLU A 100 13.491 -4.881 7.812 1.00 3.21 C ATOM 1698 OE1 GLU A 100 13.708 -4.110 8.758 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.181 -5.938 7.546 1.00 74.24 O ATOM 0 H GLU A 100 10.430 -4.043 5.329 1.00 24.12 H new ATOM 0 HA GLU A 100 10.031 -6.858 5.609 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.229 -6.763 6.750 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.238 -5.972 5.186 1.00 52.12 H new ATOM 0 HG2 GLU A 100 12.639 -3.904 6.089 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.505 -4.147 7.402 1.00 41.55 H new ATOM 1707 N SER A 101 8.942 -5.063 7.927 1.00 23.43 N ATOM 1708 CA SER A 101 8.321 -5.028 9.240 1.00 33.22 C ATOM 1709 C SER A 101 6.818 -5.293 9.115 1.00 63.15 C ATOM 1710 O SER A 101 6.117 -5.399 10.120 1.00 0.10 O ATOM 1711 CB SER A 101 8.567 -3.685 9.930 1.00 23.11 C ATOM 1712 OG SER A 101 9.831 -3.647 10.586 1.00 11.13 O ATOM 0 H SER A 101 8.716 -4.270 7.327 1.00 23.43 H new ATOM 0 HA SER A 101 8.772 -5.809 9.853 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.517 -2.884 9.193 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.776 -3.500 10.656 1.00 23.11 H new ATOM 0 HG SER A 101 9.952 -2.773 11.013 1.00 11.13 H new ATOM 1718 N GLU A 102 6.369 -5.393 7.873 1.00 74.03 N ATOM 1719 CA GLU A 102 4.963 -5.644 7.604 1.00 73.55 C ATOM 1720 C GLU A 102 4.810 -6.800 6.613 1.00 44.54 C ATOM 1721 O GLU A 102 4.178 -7.808 6.923 1.00 34.43 O ATOM 1722 CB GLU A 102 4.271 -4.382 7.084 1.00 0.30 C ATOM 1723 CG GLU A 102 4.309 -3.267 8.130 1.00 75.10 C ATOM 1724 CD GLU A 102 3.405 -3.600 9.320 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.305 -3.038 9.438 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.881 -4.476 10.137 1.00 73.01 O ATOM 0 H GLU A 102 6.953 -5.305 7.042 1.00 74.03 H new ATOM 0 HA GLU A 102 4.479 -5.926 8.539 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.760 -4.045 6.170 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.236 -4.610 6.827 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.333 -3.122 8.476 1.00 75.10 H new ATOM 0 HG3 GLU A 102 3.990 -2.328 7.678 1.00 75.10 H new ATOM 1734 N ARG A 103 5.401 -6.615 5.442 1.00 73.01 N ATOM 1735 CA ARG A 103 5.338 -7.631 4.404 1.00 11.32 C ATOM 1736 C ARG A 103 5.402 -9.028 5.024 1.00 10.30 C ATOM 1737 O ARG A 103 5.967 -9.208 6.102 1.00 22.34 O ATOM 1738 CB ARG A 103 6.488 -7.471 3.406 1.00 73.24 C ATOM 1739 CG ARG A 103 7.807 -7.959 4.007 1.00 1.11 C ATOM 1740 CD ARG A 103 8.122 -9.385 3.550 1.00 64.23 C ATOM 1741 NE ARG A 103 9.548 -9.489 3.165 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.547 -9.771 4.027 1.00 54.13 C ATOM 1743 NH1 ARG A 103 10.284 -9.981 5.335 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.784 -9.840 3.574 1.00 53.31 N ATOM 0 H ARG A 103 5.925 -5.778 5.189 1.00 73.01 H new ATOM 0 HA ARG A 103 4.393 -7.507 3.876 1.00 11.32 H new ATOM 0 HB2 ARG A 103 6.268 -8.033 2.499 1.00 73.24 H new ATOM 0 HB3 ARG A 103 6.581 -6.424 3.118 1.00 73.24 H new ATOM 0 HG2 ARG A 103 8.616 -7.291 3.710 1.00 1.11 H new ATOM 0 HG3 ARG A 103 7.750 -7.926 5.095 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.901 -10.090 4.351 1.00 64.23 H new ATOM 0 HD3 ARG A 103 7.488 -9.654 2.705 1.00 64.23 H new ATOM 0 HE ARG A 103 9.791 -9.338 2.186 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.325 -9.927 5.677 1.00 40.42 H new ATOM 0 HH12 ARG A 103 11.045 -10.194 5.980 1.00 40.42 H new ATOM 0 HH21 ARG A 103 11.974 -9.681 2.585 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.550 -10.052 4.213 1.00 53.31 H new ATOM 1757 N ASP A 104 4.815 -9.982 4.316 1.00 3.22 N ATOM 1758 CA ASP A 104 4.797 -11.357 4.784 1.00 24.23 C ATOM 1759 C ASP A 104 5.996 -12.106 4.198 1.00 52.11 C ATOM 1760 O ASP A 104 6.679 -11.596 3.311 1.00 14.33 O ATOM 1761 CB ASP A 104 3.525 -12.077 4.331 1.00 21.34 C ATOM 1762 CG ASP A 104 2.451 -12.232 5.410 1.00 33.24 C ATOM 1763 OD1 ASP A 104 1.321 -11.743 5.261 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.818 -12.895 6.453 1.00 12.42 O ATOM 0 H ASP A 104 4.348 -9.830 3.422 1.00 3.22 H new ATOM 0 HA ASP A 104 4.835 -11.342 5.873 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.097 -11.532 3.489 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.797 -13.067 3.965 1.00 21.34 H new ATOM 1770 N GLU A 105 6.218 -13.303 4.719 1.00 4.45 N ATOM 1771 CA GLU A 105 7.324 -14.127 4.260 1.00 23.41 C ATOM 1772 C GLU A 105 7.403 -14.104 2.731 1.00 43.50 C ATOM 1773 O GLU A 105 8.492 -14.025 2.164 1.00 71.12 O ATOM 1774 CB GLU A 105 7.193 -15.560 4.780 1.00 74.25 C ATOM 1775 CG GLU A 105 7.141 -15.586 6.309 1.00 61.33 C ATOM 1776 CD GLU A 105 7.593 -16.944 6.850 1.00 54.43 C ATOM 1777 OE1 GLU A 105 8.749 -17.090 7.271 1.00 41.24 O ATOM 1778 OE2 GLU A 105 6.693 -17.868 6.823 1.00 31.11 O ATOM 0 H GLU A 105 5.651 -13.723 5.455 1.00 4.45 H new ATOM 0 HA GLU A 105 8.250 -13.714 4.660 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.290 -16.017 4.374 1.00 74.25 H new ATOM 0 HB3 GLU A 105 8.036 -16.156 4.431 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.779 -14.799 6.712 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.126 -15.376 6.646 1.00 61.33 H new ATOM 1786 N ASP A 106 6.237 -14.174 2.109 1.00 14.21 N ATOM 1787 CA ASP A 106 6.161 -14.161 0.657 1.00 71.01 C ATOM 1788 C ASP A 106 7.163 -13.145 0.107 1.00 12.41 C ATOM 1789 O ASP A 106 7.880 -13.431 -0.851 1.00 41.35 O ATOM 1790 CB ASP A 106 4.765 -13.753 0.182 1.00 4.22 C ATOM 1791 CG ASP A 106 4.346 -12.328 0.553 1.00 72.31 C ATOM 1792 OD1 ASP A 106 3.778 -11.595 -0.269 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.631 -11.973 1.760 1.00 55.23 O ATOM 0 H ASP A 106 5.336 -14.240 2.583 1.00 14.21 H new ATOM 0 HA ASP A 106 6.384 -15.166 0.299 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.722 -13.858 -0.902 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.038 -14.450 0.599 1.00 4.22 H new ATOM 1799 N GLY A 107 7.183 -11.981 0.737 1.00 33.44 N ATOM 1800 CA GLY A 107 8.087 -10.921 0.324 1.00 23.13 C ATOM 1801 C GLY A 107 7.354 -9.874 -0.518 1.00 31.21 C ATOM 1802 O GLY A 107 7.866 -9.429 -1.545 1.00 13.31 O ATOM 0 H GLY A 107 6.587 -11.748 1.531 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.523 -10.446 1.203 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.911 -11.344 -0.251 1.00 23.13 H new ATOM 1806 N PHE A 108 6.169 -9.511 -0.052 1.00 52.33 N ATOM 1807 CA PHE A 108 5.361 -8.524 -0.749 1.00 14.14 C ATOM 1808 C PHE A 108 4.490 -7.737 0.232 1.00 21.33 C ATOM 1809 O PHE A 108 3.823 -8.323 1.084 1.00 22.32 O ATOM 1810 CB PHE A 108 4.455 -9.290 -1.715 1.00 51.42 C ATOM 1811 CG PHE A 108 4.433 -8.717 -3.134 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.613 -7.383 -3.331 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.232 -9.539 -4.198 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.592 -6.850 -4.648 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.211 -9.007 -5.514 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.392 -7.673 -5.711 1.00 4.21 C ATOM 0 H PHE A 108 5.748 -9.882 0.800 1.00 52.33 H new ATOM 0 HA PHE A 108 6.006 -7.816 -1.270 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.783 -10.329 -1.759 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.439 -9.293 -1.319 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.772 -6.729 -2.486 1.00 14.11 H new ATOM 0 HD2 PHE A 108 4.088 -10.598 -4.042 1.00 32.51 H new ATOM 0 HE1 PHE A 108 4.735 -5.791 -4.804 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.051 -9.661 -6.359 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.377 -7.268 -6.712 1.00 4.21 H new ATOM 1826 N LEU A 109 4.523 -6.421 0.078 1.00 21.41 N ATOM 1827 CA LEU A 109 3.744 -5.547 0.940 1.00 35.21 C ATOM 1828 C LEU A 109 2.290 -5.532 0.463 1.00 20.13 C ATOM 1829 O LEU A 109 2.022 -5.673 -0.729 1.00 53.12 O ATOM 1830 CB LEU A 109 4.382 -4.159 1.013 1.00 71.00 C ATOM 1831 CG LEU A 109 5.004 -3.776 2.357 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.332 -2.282 2.404 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.106 -4.203 3.519 1.00 53.35 C ATOM 0 H LEU A 109 5.077 -5.939 -0.630 1.00 21.41 H new ATOM 0 HA LEU A 109 3.741 -5.924 1.963 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.154 -4.095 0.247 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.623 -3.418 0.763 1.00 71.00 H new ATOM 0 HG LEU A 109 5.945 -4.315 2.463 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.773 -2.037 3.370 1.00 10.31 H new ATOM 0 HD12 LEU A 109 6.039 -2.040 1.610 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.418 -1.704 2.265 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.572 -3.919 4.462 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.137 -3.711 3.430 1.00 53.35 H new ATOM 0 HD23 LEU A 109 3.968 -5.284 3.494 1.00 53.35 H new ATOM 1845 N TYR A 110 1.389 -5.359 1.420 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.030 -5.323 1.112 1.00 32.34 C ATOM 1847 C TYR A 110 -0.721 -4.171 1.845 1.00 41.52 C ATOM 1848 O TYR A 110 -0.921 -4.233 3.057 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.605 -6.649 1.616 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.031 -7.882 0.915 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.347 -8.134 -0.405 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.802 -8.741 1.602 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.193 -9.294 -1.065 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.342 -9.902 0.941 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.011 -10.122 -0.359 1.00 64.21 C ATOM 1856 OH TYR A 110 1.521 -11.217 -0.983 1.00 75.44 O ATOM 0 H TYR A 110 1.615 -5.242 2.408 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.187 -5.178 0.043 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.417 -6.732 2.686 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.687 -6.638 1.483 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -0.999 -7.461 -0.942 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.049 -8.543 2.635 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -0.046 -9.503 -2.097 1.00 12.12 H new ATOM 0 HE2 TYR A 110 1.995 -10.582 1.467 1.00 23.30 H new ATOM 0 HH TYR A 110 2.252 -11.589 -0.446 1.00 75.44 H new ATOM 1866 N MET A 111 -1.066 -3.146 1.079 1.00 11.54 N ATOM 1867 CA MET A 111 -1.729 -1.982 1.640 1.00 54.55 C ATOM 1868 C MET A 111 -3.001 -1.646 0.858 1.00 15.42 C ATOM 1869 O MET A 111 -3.044 -1.803 -0.361 1.00 64.01 O ATOM 1870 CB MET A 111 -0.777 -0.785 1.606 1.00 60.14 C ATOM 1871 CG MET A 111 0.674 -1.233 1.798 1.00 4.13 C ATOM 1872 SD MET A 111 1.546 -1.160 0.242 1.00 11.21 S ATOM 1873 CE MET A 111 3.088 -0.444 0.786 1.00 41.54 C ATOM 0 H MET A 111 -0.898 -3.098 0.074 1.00 11.54 H new ATOM 0 HA MET A 111 -2.006 -2.207 2.670 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.877 -0.263 0.654 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.049 -0.077 2.389 1.00 60.14 H new ATOM 0 HG2 MET A 111 1.167 -0.594 2.531 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.701 -2.249 2.192 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.331 0.414 0.160 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.994 -0.122 1.823 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.882 -1.187 0.708 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.005 -1.190 1.591 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.274 -0.830 0.982 1.00 51.41 C ATOM 1885 C VAL A 112 -5.444 0.691 1.025 1.00 34.21 C ATOM 1886 O VAL A 112 -5.173 1.320 2.048 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.417 -1.578 1.672 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.740 -0.827 1.512 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.531 -3.009 1.144 1.00 14.04 C ATOM 0 H VAL A 112 -3.966 -1.061 2.602 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.292 -1.130 -0.066 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.189 -1.630 2.737 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.535 -1.380 2.012 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.652 0.164 1.958 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.977 -0.729 0.453 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.350 -3.519 1.650 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.725 -2.987 0.072 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.599 -3.542 1.334 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.890 1.236 -0.096 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.098 2.671 -0.199 1.00 64.13 C ATOM 1901 C TYR A 113 -7.583 2.999 -0.370 1.00 45.34 C ATOM 1902 O TYR A 113 -8.307 2.275 -1.053 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.341 3.118 -1.451 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.093 2.857 -2.759 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.230 3.580 -3.057 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.633 1.899 -3.639 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -7.936 3.335 -4.287 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -6.340 1.653 -4.869 1.00 63.43 C ATOM 1909 CZ TYR A 113 -7.457 2.383 -5.132 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.125 2.151 -6.294 1.00 43.21 O ATOM 0 H TYR A 113 -6.113 0.711 -0.941 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.749 3.175 0.702 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.128 4.184 -1.373 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.381 2.603 -1.486 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.590 4.329 -2.368 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.743 1.334 -3.405 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.826 3.895 -4.533 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -5.991 0.906 -5.567 1.00 63.43 H new ATOM 0 HH TYR A 113 -8.660 2.938 -6.527 1.00 43.21 H new ATOM 1920 N ALA A 114 -7.992 4.089 0.262 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.378 4.520 0.188 1.00 1.44 C ATOM 1922 C ALA A 114 -9.471 5.992 0.596 1.00 2.12 C ATOM 1923 O ALA A 114 -8.465 6.608 0.946 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.242 3.616 1.068 1.00 12.02 C ATOM 0 H ALA A 114 -7.389 4.686 0.827 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.753 4.435 -0.832 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.281 3.940 1.012 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.163 2.586 0.720 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.898 3.677 2.100 1.00 12.02 H new ATOM 1930 N SER A 115 -10.687 6.514 0.538 1.00 54.31 N ATOM 1931 CA SER A 115 -10.925 7.901 0.897 1.00 61.52 C ATOM 1932 C SER A 115 -11.256 8.007 2.386 1.00 53.55 C ATOM 1933 O SER A 115 -11.997 8.897 2.799 1.00 63.34 O ATOM 1934 CB SER A 115 -12.055 8.501 0.058 1.00 1.23 C ATOM 1935 OG SER A 115 -13.272 8.596 0.793 1.00 60.44 O ATOM 0 H SER A 115 -11.519 6.000 0.247 1.00 54.31 H new ATOM 0 HA SER A 115 -10.017 8.468 0.692 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.762 9.492 -0.289 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.214 7.887 -0.829 1.00 1.23 H new ATOM 0 HG SER A 115 -13.148 9.200 1.555 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.690 7.086 3.153 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.915 7.065 4.588 1.00 53.23 C ATOM 1943 C GLN A 116 -9.687 6.506 5.310 1.00 50.42 C ATOM 1944 O GLN A 116 -9.093 5.526 4.864 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.168 6.258 4.934 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.376 7.178 5.126 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.682 6.435 4.837 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -15.121 6.317 3.705 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.277 5.943 5.919 1.00 55.11 N ATOM 0 H GLN A 116 -10.076 6.349 2.807 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.076 8.089 4.926 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.375 5.541 4.139 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -11.995 5.684 5.844 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.389 7.559 6.147 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.290 8.040 4.465 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.856 6.077 6.838 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.155 5.431 5.830 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.343 7.154 6.414 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.198 6.734 7.201 1.00 34.21 C ATOM 1960 C GLU A 117 -8.637 6.351 8.616 1.00 42.32 C ATOM 1961 O GLU A 117 -7.838 5.847 9.403 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.126 7.826 7.236 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.404 7.843 8.585 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.288 8.889 8.596 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.255 8.700 7.935 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.522 9.928 9.323 1.00 14.44 O ATOM 0 H GLU A 117 -9.838 7.967 6.781 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.760 5.855 6.728 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.405 7.659 6.436 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.585 8.797 7.053 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.117 8.059 9.381 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -5.986 6.858 8.790 1.00 44.23 H new ATOM 1974 N THR A 118 -9.907 6.607 8.896 1.00 32.30 N ATOM 1975 CA THR A 118 -10.462 6.296 10.202 1.00 34.24 C ATOM 1976 C THR A 118 -11.629 5.316 10.066 1.00 33.31 C ATOM 1977 O THR A 118 -12.315 5.022 11.043 1.00 43.32 O ATOM 1978 CB THR A 118 -10.850 7.613 10.876 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.919 8.111 10.075 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.761 8.679 10.749 1.00 11.22 C ATOM 0 H THR A 118 -10.567 7.026 8.241 1.00 32.30 H new ATOM 0 HA THR A 118 -9.729 5.794 10.834 1.00 34.24 H new ATOM 0 HB THR A 118 -11.060 7.433 11.930 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.233 8.964 10.442 1.00 2.53 H new ATOM 0 HG21 THR A 118 -10.087 9.593 11.244 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.844 8.320 11.217 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.574 8.884 9.695 1.00 11.22 H new ATOM 1988 N PHE A 119 -11.818 4.836 8.845 1.00 75.13 N ATOM 1989 CA PHE A 119 -12.890 3.895 8.568 1.00 65.24 C ATOM 1990 C PHE A 119 -13.069 2.912 9.727 1.00 62.50 C ATOM 1991 O PHE A 119 -14.194 2.609 10.120 1.00 23.21 O ATOM 1992 CB PHE A 119 -12.489 3.118 7.313 1.00 51.32 C ATOM 1993 CG PHE A 119 -11.269 2.214 7.504 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -10.022 2.755 7.551 1.00 35.43 C ATOM 1995 CD2 PHE A 119 -11.433 0.868 7.625 1.00 71.14 C ATOM 1996 CE1 PHE A 119 -8.891 1.915 7.728 1.00 64.44 C ATOM 1997 CE2 PHE A 119 -10.301 0.029 7.801 1.00 72.22 C ATOM 1998 CZ PHE A 119 -9.054 0.571 7.850 1.00 71.41 C ATOM 0 H PHE A 119 -11.247 5.081 8.037 1.00 75.13 H new ATOM 0 HA PHE A 119 -13.830 4.430 8.432 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -13.333 2.508 6.990 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -12.282 3.826 6.511 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -9.892 3.823 7.454 1.00 35.43 H new ATOM 0 HD2 PHE A 119 -12.423 0.439 7.587 1.00 71.14 H new ATOM 0 HE1 PHE A 119 -7.901 2.344 7.766 1.00 64.44 H new ATOM 0 HE2 PHE A 119 -10.430 -1.039 7.896 1.00 72.22 H new ATOM 0 HZ PHE A 119 -8.193 -0.067 7.986 1.00 71.41 H new ATOM 2008 N GLY A 120 -11.942 2.440 10.240 1.00 23.42 N ATOM 2009 CA GLY A 120 -11.961 1.497 11.345 1.00 75.54 C ATOM 2010 C GLY A 120 -13.055 1.856 12.354 1.00 62.20 C ATOM 2011 O GLY A 120 -13.186 1.206 13.390 1.00 22.03 O ATOM 0 H GLY A 120 -11.010 2.693 9.911 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -12.128 0.489 10.965 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -10.991 1.493 11.841 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 11.415 -7.933 -23.770 1.00 41.43 N ATOM 2017 CA MET B 331 10.130 -8.573 -23.541 1.00 14.21 C ATOM 2018 C MET B 331 10.313 -9.992 -23.000 1.00 62.23 C ATOM 2019 O MET B 331 10.125 -10.967 -23.727 1.00 54.13 O ATOM 2020 CB MET B 331 9.345 -8.625 -24.854 1.00 42.31 C ATOM 2021 CG MET B 331 7.923 -9.138 -24.621 1.00 43.21 C ATOM 2022 SD MET B 331 6.980 -9.030 -26.133 1.00 31.54 S ATOM 2023 CE MET B 331 5.648 -7.973 -25.592 1.00 4.21 C ATOM 0 HA MET B 331 9.581 -7.990 -22.801 1.00 14.21 H new ATOM 0 HB2 MET B 331 9.309 -7.631 -25.300 1.00 42.31 H new ATOM 0 HB3 MET B 331 9.858 -9.274 -25.563 1.00 42.31 H new ATOM 0 HG2 MET B 331 7.952 -10.171 -24.274 1.00 43.21 H new ATOM 0 HG3 MET B 331 7.440 -8.553 -23.839 1.00 43.21 H new ATOM 0 HE1 MET B 331 4.960 -7.801 -26.420 1.00 4.21 H new ATOM 0 HE2 MET B 331 5.115 -8.451 -24.771 1.00 4.21 H new ATOM 0 HE3 MET B 331 6.054 -7.020 -25.254 1.00 4.21 H new ATOM 2034 N SER B 332 10.677 -10.064 -21.728 1.00 34.14 N ATOM 2035 CA SER B 332 10.888 -11.348 -21.081 1.00 51.00 C ATOM 2036 C SER B 332 9.902 -11.518 -19.923 1.00 31.33 C ATOM 2037 O SER B 332 10.206 -11.158 -18.787 1.00 65.52 O ATOM 2038 CB SER B 332 12.326 -11.482 -20.577 1.00 43.13 C ATOM 2039 OG SER B 332 12.693 -10.406 -19.717 1.00 61.41 O ATOM 0 H SER B 332 10.831 -9.254 -21.128 1.00 34.14 H new ATOM 0 HA SER B 332 10.715 -12.134 -21.816 1.00 51.00 H new ATOM 0 HB2 SER B 332 12.437 -12.426 -20.044 1.00 43.13 H new ATOM 0 HB3 SER B 332 13.007 -11.515 -21.428 1.00 43.13 H new ATOM 0 HG SER B 332 11.977 -10.249 -19.066 1.00 61.41 H new ATOM 2045 N GLY B 333 8.741 -12.065 -20.251 1.00 3.32 N ATOM 2046 CA GLY B 333 7.708 -12.287 -19.252 1.00 43.01 C ATOM 2047 C GLY B 333 6.667 -11.166 -19.283 1.00 10.30 C ATOM 2048 O GLY B 333 6.964 -10.049 -19.701 1.00 23.54 O ATOM 0 H GLY B 333 8.492 -12.361 -21.195 1.00 3.32 H new ATOM 0 HA2 GLY B 333 7.221 -13.245 -19.433 1.00 43.01 H new ATOM 0 HA3 GLY B 333 8.160 -12.341 -18.262 1.00 43.01 H new ATOM 2052 N GLY B 334 5.468 -11.505 -18.834 1.00 31.32 N ATOM 2053 CA GLY B 334 4.380 -10.542 -18.805 1.00 53.43 C ATOM 2054 C GLY B 334 4.707 -9.374 -17.873 1.00 13.31 C ATOM 2055 O GLY B 334 4.992 -8.269 -18.334 1.00 50.55 O ATOM 0 H GLY B 334 5.226 -12.433 -18.487 1.00 31.32 H new ATOM 0 HA2 GLY B 334 4.194 -10.168 -19.812 1.00 53.43 H new ATOM 0 HA3 GLY B 334 3.465 -11.032 -18.473 1.00 53.43 H new ATOM 2059 N ASP B 335 4.657 -9.657 -16.580 1.00 5.13 N ATOM 2060 CA ASP B 335 4.945 -8.643 -15.579 1.00 5.01 C ATOM 2061 C ASP B 335 6.457 -8.555 -15.370 1.00 71.13 C ATOM 2062 O ASP B 335 6.959 -8.882 -14.295 1.00 10.34 O ATOM 2063 CB ASP B 335 4.301 -8.996 -14.237 1.00 53.42 C ATOM 2064 CG ASP B 335 2.797 -9.271 -14.293 1.00 1.34 C ATOM 2065 OD1 ASP B 335 2.225 -9.885 -13.381 1.00 41.32 O ATOM 2066 OD2 ASP B 335 2.199 -8.820 -15.343 1.00 4.34 O ATOM 0 H ASP B 335 4.421 -10.574 -16.202 1.00 5.13 H new ATOM 0 HA ASP B 335 4.542 -7.694 -15.933 1.00 5.01 H new ATOM 0 HB2 ASP B 335 4.801 -9.876 -13.832 1.00 53.42 H new ATOM 0 HB3 ASP B 335 4.480 -8.178 -13.539 1.00 53.42 H new ATOM 2072 N ASP B 336 7.143 -8.112 -16.413 1.00 54.12 N ATOM 2073 CA ASP B 336 8.588 -7.976 -16.357 1.00 73.32 C ATOM 2074 C ASP B 336 8.968 -7.095 -15.166 1.00 13.01 C ATOM 2075 O ASP B 336 9.795 -7.481 -14.342 1.00 45.13 O ATOM 2076 CB ASP B 336 9.130 -7.316 -17.627 1.00 42.24 C ATOM 2077 CG ASP B 336 8.395 -6.044 -18.056 1.00 61.12 C ATOM 2078 OD1 ASP B 336 7.226 -5.831 -17.703 1.00 34.03 O ATOM 2079 OD2 ASP B 336 9.084 -5.241 -18.795 1.00 11.32 O ATOM 0 H ASP B 336 6.724 -7.842 -17.303 1.00 54.12 H new ATOM 0 HA ASP B 336 9.016 -8.974 -16.259 1.00 73.32 H new ATOM 0 HB2 ASP B 336 10.182 -7.076 -17.474 1.00 42.24 H new ATOM 0 HB3 ASP B 336 9.083 -8.038 -18.442 1.00 42.24 H new ATOM 2085 N ASP B 337 8.344 -5.927 -15.113 1.00 34.41 N ATOM 2086 CA ASP B 337 8.606 -4.988 -14.036 1.00 41.12 C ATOM 2087 C ASP B 337 7.304 -4.281 -13.654 1.00 44.23 C ATOM 2088 O ASP B 337 6.351 -4.266 -14.431 1.00 22.34 O ATOM 2089 CB ASP B 337 9.614 -3.920 -14.469 1.00 74.41 C ATOM 2090 CG ASP B 337 10.774 -4.435 -15.323 1.00 74.24 C ATOM 2091 OD1 ASP B 337 11.947 -4.140 -15.052 1.00 11.21 O ATOM 2092 OD2 ASP B 337 10.429 -5.180 -16.320 1.00 24.22 O ATOM 0 H ASP B 337 7.658 -5.610 -15.798 1.00 34.41 H new ATOM 0 HA ASP B 337 9.012 -5.547 -13.193 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.085 -3.148 -15.028 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.022 -3.444 -13.577 1.00 74.41 H new ATOM 2098 N TRP B 338 7.305 -3.714 -12.457 1.00 31.21 N ATOM 2099 CA TRP B 338 6.136 -3.006 -11.961 1.00 33.50 C ATOM 2100 C TRP B 338 6.333 -1.515 -12.238 1.00 43.13 C ATOM 2101 O TRP B 338 7.058 -1.141 -13.159 1.00 24.04 O ATOM 2102 CB TRP B 338 5.896 -3.314 -10.482 1.00 13.13 C ATOM 2103 CG TRP B 338 6.245 -4.748 -10.080 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.470 -5.799 -10.881 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.402 -5.250 -8.735 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.759 -6.936 -10.155 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.716 -6.591 -8.809 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.282 -4.591 -7.499 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.937 -7.389 -7.680 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.506 -5.403 -6.381 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.823 -6.755 -6.437 1.00 22.23 C ATOM 0 H TRP B 338 8.097 -3.730 -11.815 1.00 31.21 H new ATOM 0 HA TRP B 338 5.235 -3.339 -12.477 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.486 -2.625 -9.878 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.848 -3.127 -10.248 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.430 -5.761 -11.960 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.966 -7.859 -10.536 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.037 -3.542 -7.419 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.182 -8.437 -7.764 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.427 -4.946 -5.405 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.981 -7.314 -5.526 1.00 22.23 H new ATOM 2122 N THR B 339 5.674 -0.703 -11.425 1.00 11.15 N ATOM 2123 CA THR B 339 5.767 0.740 -11.570 1.00 63.24 C ATOM 2124 C THR B 339 6.907 1.290 -10.712 1.00 75.25 C ATOM 2125 O THR B 339 7.292 0.676 -9.717 1.00 55.55 O ATOM 2126 CB THR B 339 4.402 1.339 -11.225 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.208 2.351 -12.209 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.418 2.106 -9.901 1.00 73.05 C ATOM 0 H THR B 339 5.073 -1.017 -10.663 1.00 11.15 H new ATOM 0 HA THR B 339 6.011 1.020 -12.595 1.00 63.24 H new ATOM 0 HB THR B 339 3.658 0.543 -11.176 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.827 3.092 -12.043 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.426 2.511 -9.703 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.703 1.432 -9.093 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.137 2.923 -9.962 1.00 73.05 H new ATOM 2136 N HIS B 340 7.416 2.440 -11.126 1.00 23.10 N ATOM 2137 CA HIS B 340 8.505 3.080 -10.408 1.00 53.35 C ATOM 2138 C HIS B 340 7.963 4.264 -9.604 1.00 55.35 C ATOM 2139 O HIS B 340 7.297 5.140 -10.154 1.00 75.31 O ATOM 2140 CB HIS B 340 9.629 3.479 -11.365 1.00 52.13 C ATOM 2141 CG HIS B 340 9.234 3.446 -12.823 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.398 2.326 -13.619 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.681 4.406 -13.618 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.960 2.612 -14.837 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.517 3.901 -14.834 1.00 32.50 N ATOM 0 H HIS B 340 7.094 2.946 -11.951 1.00 23.10 H new ATOM 0 HA HIS B 340 8.943 2.374 -9.702 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.967 4.484 -11.113 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.476 2.810 -11.213 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.421 5.408 -13.310 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.955 1.941 -15.683 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.124 4.396 -15.635 1.00 32.50 H new ATOM 2153 N LEU B 341 8.269 4.253 -8.315 1.00 42.45 N ATOM 2154 CA LEU B 341 7.822 5.315 -7.429 1.00 42.21 C ATOM 2155 C LEU B 341 9.014 6.198 -7.055 1.00 60.12 C ATOM 2156 O LEU B 341 9.863 5.796 -6.261 1.00 1.40 O ATOM 2157 CB LEU B 341 7.085 4.731 -6.222 1.00 45.14 C ATOM 2158 CG LEU B 341 5.785 3.985 -6.526 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.814 4.073 -5.347 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.155 4.486 -7.827 1.00 55.44 C ATOM 0 H LEU B 341 8.822 3.525 -7.862 1.00 42.45 H new ATOM 0 HA LEU B 341 7.099 5.955 -7.935 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.760 4.049 -5.705 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.861 5.543 -5.530 1.00 45.14 H new ATOM 0 HG LEU B 341 6.022 2.931 -6.670 1.00 73.23 H new ATOM 0 HD11 LEU B 341 3.898 3.534 -5.589 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.273 3.629 -4.464 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.578 5.118 -5.147 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.232 3.939 -8.019 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.934 5.550 -7.738 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.849 4.327 -8.652 1.00 55.44 H new ATOM 2172 N SER B 342 9.040 7.383 -7.646 1.00 53.43 N ATOM 2173 CA SER B 342 10.115 8.326 -7.385 1.00 62.22 C ATOM 2174 C SER B 342 9.589 9.504 -6.563 1.00 15.10 C ATOM 2175 O SER B 342 8.379 9.707 -6.466 1.00 21.54 O ATOM 2176 CB SER B 342 10.738 8.826 -8.690 1.00 33.03 C ATOM 2177 OG SER B 342 11.194 7.753 -9.509 1.00 21.10 O ATOM 0 H SER B 342 8.334 7.712 -8.305 1.00 53.43 H new ATOM 0 HA SER B 342 10.891 7.812 -6.817 1.00 62.22 H new ATOM 0 HB2 SER B 342 10.004 9.415 -9.240 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.573 9.489 -8.463 1.00 33.03 H new ATOM 0 HG SER B 342 11.283 8.063 -10.434 1.00 21.10 H new ATOM 2183 N SER B 343 10.522 10.248 -5.989 1.00 0.25 N ATOM 2184 CA SER B 343 10.169 11.400 -5.178 1.00 53.03 C ATOM 2185 C SER B 343 10.116 12.657 -6.049 1.00 5.52 C ATOM 2186 O SER B 343 9.685 13.715 -5.593 1.00 30.55 O ATOM 2187 CB SER B 343 11.161 11.591 -4.029 1.00 24.32 C ATOM 2188 OG SER B 343 12.243 12.445 -4.394 1.00 14.53 O ATOM 0 H SER B 343 11.524 10.075 -6.070 1.00 0.25 H new ATOM 0 HA SER B 343 9.184 11.224 -4.745 1.00 53.03 H new ATOM 0 HB2 SER B 343 10.642 12.012 -3.168 1.00 24.32 H new ATOM 0 HB3 SER B 343 11.552 10.621 -3.723 1.00 24.32 H new ATOM 0 HG SER B 343 12.853 12.543 -3.633 1.00 14.53 H new ATOM 2194 N LYS B 344 10.561 12.500 -7.287 1.00 41.31 N ATOM 2195 CA LYS B 344 10.571 13.609 -8.226 1.00 25.42 C ATOM 2196 C LYS B 344 9.215 13.686 -8.930 1.00 71.41 C ATOM 2197 O LYS B 344 8.835 14.740 -9.438 1.00 5.30 O ATOM 2198 CB LYS B 344 11.757 13.489 -9.184 1.00 31.02 C ATOM 2199 CG LYS B 344 11.903 12.056 -9.700 1.00 5.42 C ATOM 2200 CD LYS B 344 13.045 11.329 -8.986 1.00 64.43 C ATOM 2201 CE LYS B 344 13.481 10.090 -9.770 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.670 10.391 -10.597 1.00 22.20 N ATOM 0 H LYS B 344 10.918 11.621 -7.662 1.00 41.31 H new ATOM 0 HA LYS B 344 10.712 14.553 -7.700 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.620 14.170 -10.024 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.672 13.791 -8.675 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.970 11.514 -9.547 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.091 12.070 -10.774 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.892 12.004 -8.866 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.726 11.037 -7.986 1.00 64.43 H new ATOM 0 HE2 LYS B 344 13.707 9.277 -9.080 1.00 14.43 H new ATOM 0 HE3 LYS B 344 12.665 9.750 -10.407 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.952 9.539 -11.122 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.442 11.152 -11.268 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.453 10.694 -9.983 1.00 22.20 H new ATOM 2215 N GLU B 345 8.524 12.556 -8.939 1.00 53.15 N ATOM 2216 CA GLU B 345 7.219 12.482 -9.574 1.00 4.44 C ATOM 2217 C GLU B 345 6.128 12.928 -8.598 1.00 23.22 C ATOM 2218 O GLU B 345 4.964 13.051 -8.975 1.00 21.12 O ATOM 2219 CB GLU B 345 6.942 11.072 -10.097 1.00 53.02 C ATOM 2220 CG GLU B 345 8.140 10.534 -10.883 1.00 14.22 C ATOM 2221 CD GLU B 345 8.032 9.021 -11.080 1.00 0.42 C ATOM 2222 OE1 GLU B 345 8.580 8.482 -12.053 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.350 8.401 -10.178 1.00 24.43 O ATOM 0 H GLU B 345 8.843 11.684 -8.517 1.00 53.15 H new ATOM 0 HA GLU B 345 7.214 13.158 -10.429 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.722 10.407 -9.262 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.059 11.084 -10.736 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.194 11.028 -11.853 1.00 14.22 H new ATOM 0 HG3 GLU B 345 9.063 10.770 -10.353 1.00 14.22 H new ATOM 2231 N VAL B 346 6.544 13.158 -7.360 1.00 4.42 N ATOM 2232 CA VAL B 346 5.616 13.587 -6.327 1.00 33.24 C ATOM 2233 C VAL B 346 5.040 14.955 -6.701 1.00 64.22 C ATOM 2234 O VAL B 346 5.325 15.479 -7.776 1.00 4.44 O ATOM 2235 CB VAL B 346 6.313 13.584 -4.966 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.926 12.214 -4.666 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.370 14.687 -4.888 1.00 13.23 C ATOM 0 H VAL B 346 7.510 13.055 -7.050 1.00 4.42 H new ATOM 0 HA VAL B 346 4.780 12.892 -6.251 1.00 33.24 H new ATOM 0 HB VAL B 346 5.560 13.788 -4.204 1.00 73.12 H new ATOM 0 HG11 VAL B 346 7.415 12.240 -3.692 1.00 34.11 H new ATOM 0 HG12 VAL B 346 6.141 11.458 -4.658 1.00 34.11 H new ATOM 0 HG13 VAL B 346 7.659 11.967 -5.434 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.850 14.662 -3.910 1.00 13.23 H new ATOM 0 HG22 VAL B 346 8.119 14.529 -5.664 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.895 15.657 -5.035 1.00 13.23 H new ATOM 2247 N ASP B 347 4.241 15.493 -5.792 1.00 64.45 N ATOM 2248 CA ASP B 347 3.623 16.789 -6.012 1.00 13.23 C ATOM 2249 C ASP B 347 4.459 17.871 -5.328 1.00 41.10 C ATOM 2250 O ASP B 347 5.414 17.565 -4.616 1.00 60.02 O ATOM 2251 CB ASP B 347 2.213 16.835 -5.419 1.00 11.14 C ATOM 2252 CG ASP B 347 1.619 18.237 -5.272 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.479 18.757 -4.154 1.00 44.22 O ATOM 2254 OD2 ASP B 347 1.289 18.810 -6.380 1.00 54.24 O ATOM 0 H ASP B 347 4.007 15.055 -4.901 1.00 64.45 H new ATOM 0 HA ASP B 347 3.568 16.957 -7.087 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.551 16.240 -6.048 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.232 16.360 -4.438 1.00 11.14 H new TER 2260 ASP B 347