USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1140 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: B 83 GLN : amide:sc= -0.178 K(o=-0.43,f=-2.4) USER MOD Set 1.2: B 98 ASN : amide:sc= -0.436 K(o=-0.43,f=-3.4) USER MOD Set 1.3: B 102 LYS NZ :NH3+ -169:sc= 0.185 (180deg=0.448) USER MOD Set 2.1: B 96 THR OG1 : rot 180:sc= -0.15 USER MOD Set 2.2: B 105 TYR OH : rot 102:sc= 0.193 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.736 (180deg=-0.86) USER MOD Single : A 4 ASN : amide:sc= -0.677 K(o=-0.68,f=-7.1!) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= 1.17 (180deg=0.141) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 1.02 (180deg=0.776) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.02) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 170:sc= 0.761 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.417 K(o=-0.42,f=-1) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= -0.0506 (180deg=-0.0785) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.43) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.132 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 64 GLN : amide:sc= 0.541 K(o=0.54,f=-0.011) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -2.98! C(o=-3!,f=-8.6!) USER MOD Single : B 71 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.6!) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ -169:sc=-0.00964 (180deg=-0.117) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 84 SER OG : rot 115:sc= 1.23 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 103 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.047) USER MOD Single : B 104 LYS NZ :NH3+ -163:sc= -0.127 (180deg=-0.487) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.9!) USER MOD Single : B 114 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0.627) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 91:sc= 0.00294 USER MOD Single : B 120 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 121 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : B 128 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.48 K(o=-0.48,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.173 -4.968 4.964 1.00 4.52 N ATOM 2 CA MET A 1 11.542 -6.177 5.426 1.00 15.43 C ATOM 3 C MET A 1 10.103 -5.869 5.749 1.00 54.41 C ATOM 4 O MET A 1 9.760 -4.708 6.016 1.00 33.23 O ATOM 5 CB MET A 1 12.274 -6.742 6.650 1.00 32.24 C ATOM 6 CG MET A 1 13.701 -7.192 6.361 1.00 0.23 C ATOM 7 SD MET A 1 14.538 -7.871 7.810 1.00 54.32 S ATOM 8 CE MET A 1 16.117 -8.327 7.090 1.00 74.51 C ATOM 0 H1 MET A 1 12.906 -5.204 4.265 1.00 4.52 H new ATOM 0 H2 MET A 1 11.461 -4.351 4.523 1.00 4.52 H new ATOM 0 H3 MET A 1 12.608 -4.474 5.769 1.00 4.52 H new ATOM 0 HA MET A 1 11.587 -6.938 4.647 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.294 -5.983 7.432 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.709 -7.588 7.041 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.686 -7.944 5.572 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.273 -6.345 5.982 1.00 0.23 H new ATOM 0 HE1 MET A 1 16.755 -8.764 7.858 1.00 74.51 H new ATOM 0 HE2 MET A 1 15.957 -9.054 6.294 1.00 74.51 H new ATOM 0 HE3 MET A 1 16.600 -7.440 6.680 1.00 74.51 H new ATOM 20 N ILE A 2 9.268 -6.871 5.707 1.00 22.43 N ATOM 21 CA ILE A 2 7.857 -6.705 5.967 1.00 32.41 C ATOM 22 C ILE A 2 7.485 -7.516 7.199 1.00 45.13 C ATOM 23 O ILE A 2 7.883 -8.683 7.329 1.00 32.11 O ATOM 24 CB ILE A 2 6.982 -7.167 4.747 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.347 -6.385 3.465 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.483 -7.043 5.043 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.136 -4.883 3.550 1.00 54.01 C ATOM 0 H ILE A 2 9.544 -7.829 5.491 1.00 22.43 H new ATOM 0 HA ILE A 2 7.660 -5.646 6.132 1.00 32.41 H new ATOM 0 HB ILE A 2 7.203 -8.221 4.579 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.393 -6.577 3.225 1.00 72.41 H new ATOM 0 HG13 ILE A 2 6.753 -6.774 2.638 1.00 72.41 H new ATOM 0 HG21 ILE A 2 4.912 -7.372 4.175 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.229 -7.665 5.901 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.240 -6.004 5.264 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.419 -4.422 2.604 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.086 -4.674 3.756 1.00 54.01 H new ATOM 0 HD13 ILE A 2 7.751 -4.474 4.352 1.00 54.01 H new ATOM 39 N ILE A 3 6.764 -6.902 8.090 1.00 31.31 N ATOM 40 CA ILE A 3 6.277 -7.537 9.289 1.00 25.12 C ATOM 41 C ILE A 3 4.771 -7.545 9.130 1.00 13.31 C ATOM 42 O ILE A 3 4.192 -6.520 8.793 1.00 33.20 O ATOM 43 CB ILE A 3 6.667 -6.768 10.619 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.205 -6.660 10.835 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.026 -7.427 11.838 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.931 -5.676 9.930 1.00 2.41 C ATOM 0 H ILE A 3 6.489 -5.923 8.006 1.00 31.31 H new ATOM 0 HA ILE A 3 6.719 -8.528 9.394 1.00 25.12 H new ATOM 0 HB ILE A 3 6.282 -5.755 10.502 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.389 -6.376 11.871 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.644 -7.648 10.693 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.309 -6.881 12.738 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.941 -7.413 11.731 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.369 -8.458 11.917 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.995 -5.681 10.166 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.789 -5.966 8.889 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.530 -4.674 10.086 1.00 2.41 H new ATOM 58 N ASN A 4 4.140 -8.657 9.309 1.00 20.22 N ATOM 59 CA ASN A 4 2.726 -8.735 9.037 1.00 24.23 C ATOM 60 C ASN A 4 1.940 -8.883 10.317 1.00 32.00 C ATOM 61 O ASN A 4 2.190 -9.803 11.112 1.00 60.31 O ATOM 62 CB ASN A 4 2.454 -9.898 8.084 1.00 41.35 C ATOM 63 CG ASN A 4 1.010 -9.998 7.671 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.296 -9.012 7.640 1.00 51.44 O ATOM 65 ND2 ASN A 4 0.576 -11.181 7.340 1.00 33.01 N ATOM 0 H ASN A 4 4.567 -9.522 9.639 1.00 20.22 H new ATOM 0 HA ASN A 4 2.402 -7.809 8.562 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.073 -9.783 7.194 1.00 41.35 H new ATOM 0 HB3 ASN A 4 2.754 -10.830 8.563 1.00 41.35 H new ATOM 0 HD21 ASN A 4 -0.392 -11.304 7.042 1.00 33.01 H new ATOM 0 HD22 ASN A 4 1.204 -11.984 7.379 1.00 33.01 H new ATOM 72 N ASN A 5 0.982 -8.004 10.499 1.00 65.43 N ATOM 73 CA ASN A 5 0.161 -7.947 11.702 1.00 54.20 C ATOM 74 C ASN A 5 -1.292 -8.141 11.327 1.00 74.31 C ATOM 75 O ASN A 5 -2.194 -7.817 12.095 1.00 70.34 O ATOM 76 CB ASN A 5 0.337 -6.589 12.418 1.00 72.22 C ATOM 77 CG ASN A 5 1.652 -6.442 13.172 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.657 -7.082 12.859 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.668 -5.571 14.150 1.00 62.53 N ATOM 0 H ASN A 5 0.742 -7.293 9.808 1.00 65.43 H new ATOM 0 HA ASN A 5 0.476 -8.739 12.381 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.264 -5.790 11.680 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.487 -6.452 13.118 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.528 -5.409 14.674 1.00 62.53 H new ATOM 0 HD22 ASN A 5 0.821 -5.055 14.387 1.00 62.53 H new ATOM 86 N LEU A 6 -1.503 -8.706 10.144 1.00 31.42 N ATOM 87 CA LEU A 6 -2.834 -8.996 9.592 1.00 41.12 C ATOM 88 C LEU A 6 -3.672 -9.792 10.616 1.00 32.41 C ATOM 89 O LEU A 6 -4.853 -9.489 10.844 1.00 15.34 O ATOM 90 CB LEU A 6 -2.638 -9.754 8.235 1.00 22.14 C ATOM 91 CG LEU A 6 -3.854 -10.110 7.345 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.641 -11.272 7.896 1.00 11.20 C ATOM 93 CD2 LEU A 6 -4.753 -8.904 7.138 1.00 33.32 C ATOM 0 H LEU A 6 -0.742 -8.984 9.524 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.391 -8.080 9.395 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.961 -9.154 7.627 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.122 -10.687 8.461 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.458 -10.415 6.376 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.484 -11.485 7.238 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -3.998 -12.150 7.958 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.011 -11.022 8.890 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -5.598 -9.184 6.509 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -5.119 -8.553 8.103 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -4.188 -8.108 6.653 1.00 33.32 H new ATOM 105 N LYS A 7 -3.038 -10.769 11.250 1.00 14.34 N ATOM 106 CA LYS A 7 -3.668 -11.573 12.296 1.00 42.10 C ATOM 107 C LYS A 7 -4.119 -10.705 13.488 1.00 53.11 C ATOM 108 O LYS A 7 -5.239 -10.839 13.970 1.00 74.22 O ATOM 109 CB LYS A 7 -2.704 -12.681 12.768 1.00 5.41 C ATOM 110 CG LYS A 7 -1.317 -12.172 13.164 1.00 35.52 C ATOM 111 CD LYS A 7 -0.414 -13.270 13.694 1.00 25.45 C ATOM 112 CE LYS A 7 -0.932 -13.834 15.001 1.00 12.21 C ATOM 113 NZ LYS A 7 -0.011 -14.830 15.574 1.00 61.12 N ATOM 0 H LYS A 7 -2.071 -11.029 11.056 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.560 -12.034 11.871 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.148 -13.196 13.620 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.596 -13.418 11.972 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.845 -11.707 12.298 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.423 -11.397 13.924 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -0.340 -14.069 12.956 1.00 25.45 H new ATOM 0 HD3 LYS A 7 0.592 -12.876 13.840 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -1.078 -13.022 15.714 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -1.907 -14.293 14.837 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -0.402 -15.191 16.467 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 0.109 -15.617 14.905 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 0.912 -14.386 15.755 1.00 61.12 H new ATOM 127 N LEU A 8 -3.241 -9.808 13.929 1.00 3.54 N ATOM 128 CA LEU A 8 -3.482 -8.915 15.063 1.00 24.22 C ATOM 129 C LEU A 8 -4.699 -8.022 14.782 1.00 33.32 C ATOM 130 O LEU A 8 -5.573 -7.866 15.638 1.00 35.35 O ATOM 131 CB LEU A 8 -2.182 -8.079 15.321 1.00 15.15 C ATOM 132 CG LEU A 8 -2.042 -7.239 16.627 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.980 -6.050 16.678 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.224 -8.111 17.852 1.00 34.11 C ATOM 0 H LEU A 8 -2.324 -9.678 13.501 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.711 -9.487 15.962 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.340 -8.771 15.288 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -2.065 -7.394 14.481 1.00 15.15 H new ATOM 0 HG LEU A 8 -1.029 -6.836 16.621 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.831 -5.509 17.612 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.773 -5.387 15.838 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -4.011 -6.398 16.621 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -2.122 -7.502 18.750 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.215 -8.565 17.832 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.466 -8.895 17.857 1.00 34.11 H new ATOM 146 N ILE A 9 -4.760 -7.466 13.584 1.00 72.34 N ATOM 147 CA ILE A 9 -5.873 -6.596 13.184 1.00 55.53 C ATOM 148 C ILE A 9 -7.174 -7.391 13.072 1.00 3.21 C ATOM 149 O ILE A 9 -8.246 -6.921 13.461 1.00 40.20 O ATOM 150 CB ILE A 9 -5.571 -5.739 11.890 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.612 -4.566 12.200 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.846 -5.185 11.265 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.247 -4.947 12.713 1.00 1.24 C ATOM 0 H ILE A 9 -4.052 -7.598 12.862 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.999 -5.862 13.980 1.00 55.53 H new ATOM 0 HB ILE A 9 -5.096 -6.416 11.180 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.486 -3.976 11.292 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.088 -3.919 12.937 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.594 -4.603 10.379 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.501 -6.009 10.983 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.357 -4.546 11.986 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.662 -4.045 12.895 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.351 -5.507 13.643 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.739 -5.565 11.972 1.00 1.24 H new ATOM 165 N ARG A 10 -7.070 -8.601 12.579 1.00 23.44 N ATOM 166 CA ARG A 10 -8.216 -9.484 12.521 1.00 2.23 C ATOM 167 C ARG A 10 -8.723 -9.839 13.892 1.00 61.23 C ATOM 168 O ARG A 10 -9.894 -10.098 14.045 1.00 0.10 O ATOM 169 CB ARG A 10 -7.969 -10.705 11.659 1.00 24.15 C ATOM 170 CG ARG A 10 -8.109 -10.403 10.185 1.00 71.12 C ATOM 171 CD ARG A 10 -7.707 -11.572 9.327 1.00 32.20 C ATOM 172 NE ARG A 10 -8.409 -12.814 9.651 1.00 64.13 N ATOM 173 CZ ARG A 10 -8.146 -13.974 9.059 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.572 -13.986 7.861 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.536 -15.108 9.614 1.00 51.23 N ATOM 0 H ARG A 10 -6.206 -8.999 12.212 1.00 23.44 H new ATOM 0 HA ARG A 10 -9.012 -8.927 12.028 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.968 -11.090 11.856 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.672 -11.491 11.935 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -9.142 -10.133 9.967 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.493 -9.540 9.932 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.892 -11.324 8.282 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.634 -11.735 9.431 1.00 32.20 H new ATOM 0 HE ARG A 10 -9.136 -12.788 10.366 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.335 -13.107 7.400 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.368 -14.874 7.402 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -9.041 -15.095 10.500 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.332 -15.996 9.156 1.00 51.23 H new ATOM 189 N GLU A 11 -7.822 -9.936 14.857 1.00 3.43 N ATOM 190 CA GLU A 11 -8.183 -10.085 16.257 1.00 32.25 C ATOM 191 C GLU A 11 -8.778 -8.801 16.872 1.00 23.22 C ATOM 192 O GLU A 11 -9.549 -8.865 17.833 1.00 24.24 O ATOM 193 CB GLU A 11 -7.054 -10.674 17.069 1.00 73.21 C ATOM 194 CG GLU A 11 -6.739 -12.086 16.635 1.00 31.54 C ATOM 195 CD GLU A 11 -5.707 -12.761 17.489 1.00 75.21 C ATOM 196 OE1 GLU A 11 -5.690 -12.547 18.713 1.00 52.20 O ATOM 197 OE2 GLU A 11 -4.919 -13.561 16.960 1.00 73.43 O ATOM 0 H GLU A 11 -6.816 -9.913 14.690 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.996 -10.810 16.293 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.165 -10.052 16.963 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.322 -10.668 18.125 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -7.656 -12.676 16.653 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -6.390 -12.071 15.602 1.00 31.54 H new ATOM 204 N LYS A 12 -8.311 -7.636 16.403 1.00 12.34 N ATOM 205 CA LYS A 12 -8.908 -6.337 16.789 1.00 0.30 C ATOM 206 C LYS A 12 -10.401 -6.298 16.422 1.00 41.03 C ATOM 207 O LYS A 12 -11.228 -5.774 17.172 1.00 70.21 O ATOM 208 CB LYS A 12 -8.150 -5.183 16.115 1.00 31.15 C ATOM 209 CG LYS A 12 -6.734 -4.991 16.644 1.00 63.14 C ATOM 210 CD LYS A 12 -5.918 -3.971 15.837 1.00 63.03 C ATOM 211 CE LYS A 12 -6.624 -2.637 15.679 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.730 -1.605 15.122 1.00 22.43 N ATOM 0 H LYS A 12 -7.525 -7.560 15.758 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.822 -6.221 17.869 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.106 -5.367 15.041 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.710 -4.259 16.258 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.783 -4.666 17.683 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.216 -5.950 16.633 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.958 -3.812 16.328 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.706 -4.383 14.850 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.489 -2.759 15.027 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.999 -2.308 16.648 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -6.250 -1.035 14.425 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -5.390 -0.990 15.888 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.918 -2.062 14.659 1.00 22.43 H new ATOM 226 N LYS A 13 -10.728 -6.870 15.297 1.00 11.23 N ATOM 227 CA LYS A 13 -12.113 -7.102 14.893 1.00 71.54 C ATOM 228 C LYS A 13 -12.316 -8.587 15.086 1.00 62.41 C ATOM 229 O LYS A 13 -11.620 -9.170 15.897 1.00 22.21 O ATOM 230 CB LYS A 13 -12.293 -6.720 13.413 1.00 24.24 C ATOM 231 CG LYS A 13 -12.008 -5.256 13.120 1.00 24.13 C ATOM 232 CD LYS A 13 -12.952 -4.354 13.898 1.00 4.22 C ATOM 233 CE LYS A 13 -12.625 -2.886 13.704 1.00 44.25 C ATOM 234 NZ LYS A 13 -12.700 -2.460 12.289 1.00 54.41 N ATOM 0 H LYS A 13 -10.042 -7.197 14.617 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.828 -6.511 15.465 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.633 -7.338 12.805 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.314 -6.950 13.109 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.976 -5.022 13.383 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.116 -5.067 12.052 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.977 -4.542 13.580 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -12.897 -4.600 14.958 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.315 -2.284 14.296 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.623 -2.689 14.085 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.738 -1.422 12.241 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -11.860 -2.800 11.779 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -13.555 -2.858 11.851 1.00 54.41 H new ATOM 248 N LYS A 14 -13.277 -9.221 14.480 1.00 71.43 N ATOM 249 CA LYS A 14 -13.229 -10.658 14.443 1.00 32.42 C ATOM 250 C LYS A 14 -13.732 -11.156 13.116 1.00 13.24 C ATOM 251 O LYS A 14 -14.870 -11.601 12.973 1.00 5.54 O ATOM 252 CB LYS A 14 -13.897 -11.347 15.661 1.00 73.24 C ATOM 253 CG LYS A 14 -15.274 -10.834 16.047 1.00 40.21 C ATOM 254 CD LYS A 14 -15.823 -11.640 17.211 1.00 43.22 C ATOM 255 CE LYS A 14 -17.146 -11.098 17.715 1.00 70.42 C ATOM 256 NZ LYS A 14 -17.011 -9.800 18.413 1.00 23.43 N ATOM 0 H LYS A 14 -14.077 -8.788 14.019 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.183 -10.951 14.536 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.975 -12.414 15.452 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.237 -11.238 16.521 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.215 -9.780 16.320 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.949 -10.905 15.194 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.952 -12.677 16.902 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.098 -11.637 18.025 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.829 -10.982 16.874 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.595 -11.824 18.393 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.932 -9.521 18.808 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -16.317 -9.890 19.182 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.689 -9.076 17.740 1.00 23.43 H new ATOM 270 N ILE A 15 -12.902 -10.966 12.127 1.00 13.13 N ATOM 271 CA ILE A 15 -13.197 -11.353 10.773 1.00 43.54 C ATOM 272 C ILE A 15 -12.192 -12.415 10.379 1.00 51.30 C ATOM 273 O ILE A 15 -10.998 -12.297 10.704 1.00 65.41 O ATOM 274 CB ILE A 15 -13.079 -10.139 9.797 1.00 70.43 C ATOM 275 CG1 ILE A 15 -13.954 -8.970 10.280 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.491 -10.551 8.384 1.00 62.43 C ATOM 277 CD1 ILE A 15 -13.850 -7.715 9.430 1.00 1.24 C ATOM 0 H ILE A 15 -11.986 -10.531 12.240 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.219 -11.726 10.712 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.039 -9.813 9.781 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -14.994 -9.295 10.300 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.677 -8.724 11.305 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.404 -9.695 7.715 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -12.840 -11.352 8.034 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.524 -10.900 8.393 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.499 -6.942 9.842 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -12.819 -7.361 9.429 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.157 -7.941 8.409 1.00 1.24 H new ATOM 289 N SER A 16 -12.648 -13.437 9.728 1.00 2.42 N ATOM 290 CA SER A 16 -11.805 -14.512 9.347 1.00 41.31 C ATOM 291 C SER A 16 -11.596 -14.556 7.813 1.00 13.21 C ATOM 292 O SER A 16 -12.024 -13.642 7.079 1.00 35.13 O ATOM 293 CB SER A 16 -12.385 -15.806 9.898 1.00 43.33 C ATOM 294 OG SER A 16 -12.608 -15.691 11.308 1.00 71.34 O ATOM 0 H SER A 16 -13.622 -13.545 9.447 1.00 2.42 H new ATOM 0 HA SER A 16 -10.812 -14.369 9.772 1.00 41.31 H new ATOM 0 HB2 SER A 16 -13.323 -16.036 9.392 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.703 -16.632 9.697 1.00 43.33 H new ATOM 0 HG SER A 16 -12.983 -16.530 11.649 1.00 71.34 H new ATOM 300 N GLN A 17 -10.933 -15.608 7.351 1.00 45.12 N ATOM 301 CA GLN A 17 -10.541 -15.765 5.957 1.00 65.34 C ATOM 302 C GLN A 17 -11.703 -15.829 4.965 1.00 13.44 C ATOM 303 O GLN A 17 -11.622 -15.218 3.904 1.00 12.11 O ATOM 304 CB GLN A 17 -9.600 -16.963 5.783 1.00 30.22 C ATOM 305 CG GLN A 17 -10.106 -18.253 6.405 1.00 4.43 C ATOM 306 CD GLN A 17 -9.171 -19.416 6.171 1.00 53.31 C ATOM 307 OE1 GLN A 17 -9.308 -20.158 5.203 1.00 72.33 O ATOM 308 NE2 GLN A 17 -8.202 -19.567 7.022 1.00 45.23 N ATOM 0 H GLN A 17 -10.648 -16.388 7.943 1.00 45.12 H new ATOM 0 HA GLN A 17 -10.008 -14.847 5.707 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -9.434 -17.128 4.718 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.633 -16.717 6.222 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -10.238 -18.108 7.477 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -11.086 -18.491 5.992 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -8.117 -18.932 7.816 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -7.526 -20.320 6.896 1.00 45.23 H new ATOM 317 N SER A 18 -12.778 -16.532 5.300 1.00 55.44 N ATOM 318 CA SER A 18 -13.892 -16.697 4.373 1.00 52.11 C ATOM 319 C SER A 18 -14.569 -15.357 4.077 1.00 62.21 C ATOM 320 O SER A 18 -14.880 -15.045 2.905 1.00 10.02 O ATOM 321 CB SER A 18 -14.897 -17.709 4.939 1.00 45.03 C ATOM 322 OG SER A 18 -14.225 -18.916 5.335 1.00 21.34 O ATOM 0 H SER A 18 -12.902 -16.995 6.201 1.00 55.44 H new ATOM 0 HA SER A 18 -13.504 -17.080 3.429 1.00 52.11 H new ATOM 0 HB2 SER A 18 -15.415 -17.276 5.795 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.655 -17.937 4.189 1.00 45.03 H new ATOM 0 HG SER A 18 -14.844 -19.485 5.838 1.00 21.34 H new ATOM 328 N GLU A 19 -14.754 -14.555 5.118 1.00 50.43 N ATOM 329 CA GLU A 19 -15.381 -13.268 4.966 1.00 3.23 C ATOM 330 C GLU A 19 -14.479 -12.339 4.182 1.00 41.23 C ATOM 331 O GLU A 19 -14.916 -11.732 3.206 1.00 11.14 O ATOM 332 CB GLU A 19 -15.750 -12.625 6.306 1.00 33.34 C ATOM 333 CG GLU A 19 -16.471 -13.538 7.280 1.00 42.23 C ATOM 334 CD GLU A 19 -15.512 -14.276 8.177 1.00 44.10 C ATOM 335 OE1 GLU A 19 -14.936 -15.314 7.763 1.00 70.32 O ATOM 336 OE2 GLU A 19 -15.285 -13.793 9.314 1.00 64.25 O ATOM 0 H GLU A 19 -14.475 -14.782 6.073 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.311 -13.432 4.422 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -14.839 -12.261 6.780 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.379 -11.756 6.113 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.157 -12.949 7.889 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.074 -14.256 6.725 1.00 42.23 H new ATOM 343 N LEU A 20 -13.201 -12.251 4.571 1.00 73.22 N ATOM 344 CA LEU A 20 -12.263 -11.387 3.864 1.00 10.22 C ATOM 345 C LEU A 20 -12.120 -11.765 2.411 1.00 65.33 C ATOM 346 O LEU A 20 -12.037 -10.895 1.566 1.00 30.50 O ATOM 347 CB LEU A 20 -10.895 -11.337 4.539 1.00 32.54 C ATOM 348 CG LEU A 20 -10.834 -10.587 5.863 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.427 -10.622 6.415 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.295 -9.146 5.676 1.00 23.21 C ATOM 0 H LEU A 20 -12.802 -12.761 5.359 1.00 73.22 H new ATOM 0 HA LEU A 20 -12.693 -10.386 3.909 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.556 -12.359 4.707 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.188 -10.876 3.850 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.501 -11.074 6.574 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.394 -10.083 7.362 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.125 -11.657 6.576 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -8.746 -10.151 5.706 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.246 -8.622 6.630 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.647 -8.648 4.955 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.321 -9.137 5.309 1.00 23.21 H new ATOM 362 N ALA A 21 -12.119 -13.054 2.122 1.00 4.44 N ATOM 363 CA ALA A 21 -12.040 -13.525 0.751 1.00 14.42 C ATOM 364 C ALA A 21 -13.198 -12.972 -0.081 1.00 35.03 C ATOM 365 O ALA A 21 -12.992 -12.469 -1.186 1.00 72.55 O ATOM 366 CB ALA A 21 -12.027 -15.042 0.712 1.00 1.41 C ATOM 0 H ALA A 21 -12.172 -13.795 2.821 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.109 -13.161 0.317 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.968 -15.379 -0.323 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.164 -15.413 1.264 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.941 -15.425 1.166 1.00 1.41 H new ATOM 372 N ALA A 22 -14.397 -13.004 0.480 1.00 4.14 N ATOM 373 CA ALA A 22 -15.581 -12.496 -0.209 1.00 53.23 C ATOM 374 C ALA A 22 -15.514 -10.975 -0.376 1.00 34.22 C ATOM 375 O ALA A 22 -15.929 -10.423 -1.409 1.00 30.41 O ATOM 376 CB ALA A 22 -16.842 -12.890 0.547 1.00 24.13 C ATOM 0 H ALA A 22 -14.580 -13.376 1.412 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.611 -12.943 -1.203 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.716 -12.505 0.022 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.905 -13.976 0.608 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -16.809 -12.471 1.553 1.00 24.13 H new ATOM 382 N LEU A 23 -14.977 -10.309 0.628 1.00 71.12 N ATOM 383 CA LEU A 23 -14.856 -8.853 0.628 1.00 42.20 C ATOM 384 C LEU A 23 -13.767 -8.369 -0.330 1.00 63.22 C ATOM 385 O LEU A 23 -13.947 -7.382 -1.046 1.00 30.24 O ATOM 386 CB LEU A 23 -14.559 -8.336 2.057 1.00 60.54 C ATOM 387 CG LEU A 23 -15.756 -8.058 3.004 1.00 63.34 C ATOM 388 CD1 LEU A 23 -16.708 -9.227 3.106 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.246 -7.694 4.390 1.00 50.33 C ATOM 0 H LEU A 23 -14.611 -10.756 1.469 1.00 71.12 H new ATOM 0 HA LEU A 23 -15.809 -8.451 0.284 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -13.911 -9.064 2.546 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -13.988 -7.412 1.964 1.00 60.54 H new ATOM 0 HG LEU A 23 -16.313 -7.225 2.574 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.525 -8.973 3.782 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.111 -9.455 2.119 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -16.176 -10.097 3.490 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -16.092 -7.500 5.050 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -14.656 -8.519 4.789 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.624 -6.801 4.326 1.00 50.33 H new ATOM 401 N LEU A 24 -12.649 -9.074 -0.364 1.00 61.11 N ATOM 402 CA LEU A 24 -11.515 -8.692 -1.198 1.00 33.50 C ATOM 403 C LEU A 24 -11.642 -9.235 -2.614 1.00 13.04 C ATOM 404 O LEU A 24 -10.768 -8.984 -3.447 1.00 54.12 O ATOM 405 CB LEU A 24 -10.211 -9.218 -0.583 1.00 1.13 C ATOM 406 CG LEU A 24 -9.933 -8.850 0.878 1.00 1.25 C ATOM 407 CD1 LEU A 24 -8.656 -9.515 1.353 1.00 24.05 C ATOM 408 CD2 LEU A 24 -9.856 -7.348 1.062 1.00 43.42 C ATOM 0 H LEU A 24 -12.499 -9.923 0.181 1.00 61.11 H new ATOM 0 HA LEU A 24 -11.502 -7.603 -1.246 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -10.213 -10.305 -0.664 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -9.380 -8.854 -1.188 1.00 1.13 H new ATOM 0 HG LEU A 24 -10.763 -9.214 1.483 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -8.470 -9.245 2.393 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -8.757 -10.597 1.272 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -7.821 -9.181 0.737 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -9.658 -7.119 2.109 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -9.052 -6.947 0.445 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -10.802 -6.896 0.765 1.00 43.42 H new ATOM 420 N GLU A 25 -12.712 -10.006 -2.862 1.00 45.33 N ATOM 421 CA GLU A 25 -13.004 -10.604 -4.182 1.00 22.43 C ATOM 422 C GLU A 25 -11.948 -11.657 -4.530 1.00 63.31 C ATOM 423 O GLU A 25 -11.628 -11.884 -5.703 1.00 72.53 O ATOM 424 CB GLU A 25 -13.041 -9.525 -5.281 1.00 34.10 C ATOM 425 CG GLU A 25 -14.070 -8.432 -5.076 1.00 74.02 C ATOM 426 CD GLU A 25 -13.989 -7.396 -6.157 1.00 63.23 C ATOM 427 OE1 GLU A 25 -13.181 -6.449 -6.034 1.00 54.24 O ATOM 428 OE2 GLU A 25 -14.706 -7.517 -7.168 1.00 73.13 O ATOM 0 H GLU A 25 -13.406 -10.236 -2.150 1.00 45.33 H new ATOM 0 HA GLU A 25 -13.984 -11.078 -4.128 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -12.055 -9.066 -5.350 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -13.235 -10.010 -6.238 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -15.069 -8.868 -5.062 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -13.914 -7.961 -4.106 1.00 74.02 H new ATOM 435 N VAL A 26 -11.439 -12.327 -3.524 1.00 33.53 N ATOM 436 CA VAL A 26 -10.388 -13.297 -3.717 1.00 2.41 C ATOM 437 C VAL A 26 -10.802 -14.652 -3.188 1.00 32.32 C ATOM 438 O VAL A 26 -11.885 -14.806 -2.608 1.00 23.34 O ATOM 439 CB VAL A 26 -9.054 -12.867 -3.038 1.00 63.23 C ATOM 440 CG1 VAL A 26 -8.523 -11.585 -3.646 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.221 -12.711 -1.527 1.00 4.10 C ATOM 0 H VAL A 26 -11.739 -12.217 -2.555 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.218 -13.358 -4.792 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.328 -13.660 -3.217 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -7.591 -11.307 -3.154 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -8.340 -11.735 -4.710 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -9.255 -10.789 -3.513 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.271 -12.410 -1.085 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -9.974 -11.950 -1.321 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.537 -13.661 -1.096 1.00 4.10 H new ATOM 451 N SER A 27 -9.992 -15.624 -3.441 1.00 35.42 N ATOM 452 CA SER A 27 -10.192 -16.940 -2.928 1.00 0.14 C ATOM 453 C SER A 27 -9.613 -17.010 -1.510 1.00 54.44 C ATOM 454 O SER A 27 -8.761 -16.183 -1.135 1.00 24.14 O ATOM 455 CB SER A 27 -9.496 -17.921 -3.854 1.00 23.34 C ATOM 456 OG SER A 27 -9.883 -17.675 -5.201 1.00 1.11 O ATOM 0 H SER A 27 -9.158 -15.526 -4.020 1.00 35.42 H new ATOM 0 HA SER A 27 -11.252 -17.190 -2.879 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.415 -17.824 -3.754 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.752 -18.943 -3.574 1.00 23.34 H new ATOM 0 HG SER A 27 -9.429 -18.310 -5.793 1.00 1.11 H new ATOM 462 N ARG A 28 -10.080 -17.957 -0.716 1.00 33.45 N ATOM 463 CA ARG A 28 -9.605 -18.108 0.652 1.00 2.32 C ATOM 464 C ARG A 28 -8.121 -18.418 0.704 1.00 72.10 C ATOM 465 O ARG A 28 -7.428 -17.998 1.628 1.00 61.25 O ATOM 466 CB ARG A 28 -10.421 -19.128 1.444 1.00 73.14 C ATOM 467 CG ARG A 28 -11.869 -18.722 1.611 1.00 54.32 C ATOM 468 CD ARG A 28 -12.588 -19.576 2.633 1.00 53.33 C ATOM 469 NE ARG A 28 -12.686 -20.993 2.273 1.00 21.14 N ATOM 470 CZ ARG A 28 -13.324 -21.903 3.022 1.00 13.43 C ATOM 471 NH1 ARG A 28 -13.942 -21.519 4.141 1.00 20.31 N ATOM 472 NH2 ARG A 28 -13.373 -23.182 2.640 1.00 44.34 N ATOM 0 H ARG A 28 -10.789 -18.635 -0.994 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.753 -17.143 1.138 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -10.375 -20.093 0.939 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.971 -19.261 2.428 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.919 -17.676 1.914 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -12.379 -18.800 0.651 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -12.071 -19.491 3.589 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -13.593 -19.180 2.778 1.00 53.33 H new ATOM 0 HE ARG A 28 -12.246 -21.303 1.407 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -13.927 -20.538 4.421 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -14.430 -22.206 4.716 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -12.923 -23.473 1.772 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.861 -23.868 3.216 1.00 44.34 H new ATOM 486 N GLN A 29 -7.632 -19.113 -0.312 1.00 63.51 N ATOM 487 CA GLN A 29 -6.221 -19.438 -0.421 1.00 73.10 C ATOM 488 C GLN A 29 -5.389 -18.146 -0.510 1.00 21.43 C ATOM 489 O GLN A 29 -4.310 -18.051 0.079 1.00 63.01 O ATOM 490 CB GLN A 29 -6.010 -20.353 -1.653 1.00 14.11 C ATOM 491 CG GLN A 29 -4.629 -20.992 -1.798 1.00 34.33 C ATOM 492 CD GLN A 29 -3.534 -20.063 -2.294 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.772 -19.127 -3.068 1.00 35.21 O ATOM 494 NE2 GLN A 29 -2.340 -20.322 -1.867 1.00 24.53 N ATOM 0 H GLN A 29 -8.202 -19.466 -1.081 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.885 -19.976 0.465 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.753 -21.150 -1.618 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -6.212 -19.769 -2.551 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -4.330 -21.396 -0.831 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.707 -21.835 -2.485 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -2.185 -21.103 -1.229 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -1.554 -19.745 -2.168 1.00 24.53 H new ATOM 503 N THR A 30 -5.930 -17.147 -1.200 1.00 21.22 N ATOM 504 CA THR A 30 -5.261 -15.883 -1.384 1.00 0.23 C ATOM 505 C THR A 30 -5.052 -15.181 -0.027 1.00 24.14 C ATOM 506 O THR A 30 -3.933 -14.791 0.315 1.00 5.35 O ATOM 507 CB THR A 30 -6.094 -14.970 -2.312 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.461 -15.693 -3.504 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.309 -13.726 -2.707 1.00 50.43 C ATOM 0 H THR A 30 -6.847 -17.200 -1.644 1.00 21.22 H new ATOM 0 HA THR A 30 -4.289 -16.073 -1.840 1.00 0.23 H new ATOM 0 HB THR A 30 -6.988 -14.662 -1.769 1.00 71.41 H new ATOM 0 HG1 THR A 30 -6.990 -15.112 -4.089 1.00 40.00 H new ATOM 0 HG21 THR A 30 -5.920 -13.102 -3.360 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.044 -13.164 -1.812 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.401 -14.021 -3.233 1.00 50.43 H new ATOM 517 N ILE A 31 -6.120 -15.072 0.759 1.00 3.24 N ATOM 518 CA ILE A 31 -6.042 -14.388 2.042 1.00 15.23 C ATOM 519 C ILE A 31 -5.225 -15.204 3.061 1.00 54.43 C ATOM 520 O ILE A 31 -4.463 -14.632 3.844 1.00 12.25 O ATOM 521 CB ILE A 31 -7.456 -13.974 2.602 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.350 -13.223 3.945 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.393 -15.160 2.723 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.605 -11.902 3.861 1.00 15.23 C ATOM 0 H ILE A 31 -7.041 -15.446 0.531 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.509 -13.453 1.870 1.00 15.23 H new ATOM 0 HB ILE A 31 -7.884 -13.288 1.870 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.355 -13.038 4.325 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.849 -13.865 4.669 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.354 -14.826 3.113 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.537 -15.612 1.742 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.962 -15.896 3.402 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.575 -11.438 4.847 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.588 -12.080 3.512 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.117 -11.239 3.163 1.00 15.23 H new ATOM 536 N ASN A 32 -5.332 -16.532 2.991 1.00 30.33 N ATOM 537 CA ASN A 32 -4.562 -17.437 3.865 1.00 60.42 C ATOM 538 C ASN A 32 -3.062 -17.257 3.589 1.00 3.24 C ATOM 539 O ASN A 32 -2.235 -17.215 4.508 1.00 13.11 O ATOM 540 CB ASN A 32 -4.998 -18.901 3.622 1.00 64.50 C ATOM 541 CG ASN A 32 -4.276 -19.939 4.489 1.00 24.43 C ATOM 542 OD1 ASN A 32 -3.839 -19.663 5.611 1.00 33.15 O ATOM 543 ND2 ASN A 32 -4.193 -21.154 3.997 1.00 74.02 N ATOM 0 H ASN A 32 -5.947 -17.013 2.335 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.756 -17.194 4.910 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -6.070 -18.981 3.802 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.832 -19.146 2.573 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -3.759 -21.897 4.544 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -4.562 -21.354 3.067 1.00 74.02 H new ATOM 550 N GLY A 33 -2.736 -17.094 2.314 1.00 32.15 N ATOM 551 CA GLY A 33 -1.370 -16.842 1.904 1.00 62.40 C ATOM 552 C GLY A 33 -0.868 -15.487 2.401 1.00 51.22 C ATOM 553 O GLY A 33 0.335 -15.324 2.716 1.00 73.51 O ATOM 0 H GLY A 33 -3.406 -17.133 1.546 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.724 -17.632 2.288 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.305 -16.877 0.817 1.00 62.40 H new ATOM 557 N ILE A 34 -1.773 -14.512 2.453 1.00 55.13 N ATOM 558 CA ILE A 34 -1.471 -13.174 2.950 1.00 14.23 C ATOM 559 C ILE A 34 -1.237 -13.201 4.461 1.00 12.31 C ATOM 560 O ILE A 34 -0.345 -12.525 4.960 1.00 62.21 O ATOM 561 CB ILE A 34 -2.597 -12.143 2.579 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.654 -11.920 1.055 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.431 -10.808 3.313 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.371 -11.361 0.454 1.00 51.13 C ATOM 0 H ILE A 34 -2.740 -14.630 2.150 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.555 -12.843 2.461 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.543 -12.574 2.907 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -2.886 -12.868 0.569 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.474 -11.238 0.830 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.234 -10.131 3.022 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.471 -10.977 4.389 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.470 -10.366 3.051 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -1.498 -11.235 -0.621 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.147 -10.396 0.909 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.549 -12.051 0.644 1.00 51.13 H new ATOM 576 N GLU A 35 -2.020 -14.004 5.178 1.00 42.35 N ATOM 577 CA GLU A 35 -1.859 -14.163 6.632 1.00 14.13 C ATOM 578 C GLU A 35 -0.471 -14.657 6.987 1.00 62.12 C ATOM 579 O GLU A 35 0.116 -14.229 7.983 1.00 33.44 O ATOM 580 CB GLU A 35 -2.854 -15.170 7.167 1.00 72.22 C ATOM 581 CG GLU A 35 -4.293 -14.784 7.004 1.00 22.14 C ATOM 582 CD GLU A 35 -5.208 -15.819 7.573 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.946 -16.307 8.683 1.00 12.42 O ATOM 584 OE2 GLU A 35 -6.249 -16.114 6.970 1.00 14.03 O ATOM 0 H GLU A 35 -2.777 -14.559 4.779 1.00 42.35 H new ATOM 0 HA GLU A 35 -2.025 -13.182 7.077 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.690 -16.123 6.665 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.654 -15.329 8.227 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.472 -13.829 7.497 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.515 -14.643 5.946 1.00 22.14 H new ATOM 591 N LYS A 36 0.061 -15.512 6.152 1.00 72.42 N ATOM 592 CA LYS A 36 1.383 -16.080 6.360 1.00 3.42 C ATOM 593 C LYS A 36 2.443 -15.192 5.713 1.00 64.33 C ATOM 594 O LYS A 36 3.630 -15.504 5.761 1.00 74.05 O ATOM 595 CB LYS A 36 1.449 -17.479 5.722 1.00 71.34 C ATOM 596 CG LYS A 36 0.362 -18.446 6.188 1.00 73.40 C ATOM 597 CD LYS A 36 0.444 -18.740 7.677 1.00 3.32 C ATOM 598 CE LYS A 36 1.719 -19.480 8.036 1.00 11.20 C ATOM 599 NZ LYS A 36 1.825 -19.719 9.482 1.00 30.21 N ATOM 0 H LYS A 36 -0.405 -15.839 5.306 1.00 72.42 H new ATOM 0 HA LYS A 36 1.571 -16.149 7.431 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.382 -17.373 4.639 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.423 -17.917 5.940 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.617 -18.026 5.957 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.447 -19.379 5.631 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.397 -17.805 8.235 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.418 -19.335 7.978 1.00 3.32 H new ATOM 0 HE2 LYS A 36 1.747 -20.433 7.508 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.581 -18.903 7.699 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 2.709 -20.227 9.686 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 1.824 -18.809 9.985 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.016 -20.291 9.800 1.00 30.21 H new ATOM 613 N ASN A 37 1.974 -14.079 5.106 1.00 21.34 N ATOM 614 CA ASN A 37 2.773 -13.120 4.290 1.00 41.10 C ATOM 615 C ASN A 37 3.702 -13.842 3.318 1.00 30.41 C ATOM 616 O ASN A 37 4.716 -13.313 2.873 1.00 2.25 O ATOM 617 CB ASN A 37 3.513 -12.036 5.148 1.00 42.23 C ATOM 618 CG ASN A 37 4.686 -12.525 5.993 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.510 -12.965 7.129 1.00 64.43 O ATOM 620 ND2 ASN A 37 5.883 -12.381 5.478 1.00 15.22 N ATOM 0 H ASN A 37 0.993 -13.808 5.170 1.00 21.34 H new ATOM 0 HA ASN A 37 2.056 -12.561 3.688 1.00 41.10 H new ATOM 0 HB2 ASN A 37 3.876 -11.258 4.476 1.00 42.23 H new ATOM 0 HB3 ASN A 37 2.785 -11.570 5.812 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.707 -12.637 6.023 1.00 15.22 H new ATOM 0 HD22 ASN A 37 5.991 -12.013 4.533 1.00 15.22 H new ATOM 627 N LYS A 38 3.243 -14.990 2.869 1.00 23.05 N ATOM 628 CA LYS A 38 4.027 -15.871 2.046 1.00 71.21 C ATOM 629 C LYS A 38 3.663 -15.598 0.609 1.00 63.12 C ATOM 630 O LYS A 38 4.469 -15.754 -0.302 1.00 54.40 O ATOM 631 CB LYS A 38 3.685 -17.320 2.398 1.00 54.41 C ATOM 632 CG LYS A 38 4.549 -18.364 1.714 1.00 51.33 C ATOM 633 CD LYS A 38 4.029 -19.770 1.971 1.00 14.11 C ATOM 634 CE LYS A 38 2.660 -19.971 1.331 1.00 53.22 C ATOM 635 NZ LYS A 38 2.137 -21.330 1.538 1.00 30.43 N ATOM 0 H LYS A 38 2.305 -15.337 3.070 1.00 23.05 H new ATOM 0 HA LYS A 38 5.093 -15.709 2.205 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.773 -17.447 3.477 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.643 -17.505 2.139 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.572 -18.173 0.641 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.575 -18.282 2.074 1.00 51.33 H new ATOM 0 HD2 LYS A 38 4.732 -20.501 1.571 1.00 14.11 H new ATOM 0 HD3 LYS A 38 3.962 -19.946 3.045 1.00 14.11 H new ATOM 0 HE2 LYS A 38 1.958 -19.248 1.746 1.00 53.22 H new ATOM 0 HE3 LYS A 38 2.729 -19.770 0.262 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 1.205 -21.416 1.084 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 2.791 -22.021 1.119 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 2.044 -21.515 2.557 1.00 30.43 H new ATOM 649 N TYR A 39 2.441 -15.135 0.441 1.00 74.05 N ATOM 650 CA TYR A 39 1.864 -14.837 -0.851 1.00 12.53 C ATOM 651 C TYR A 39 2.392 -13.502 -1.359 1.00 13.41 C ATOM 652 O TYR A 39 2.243 -13.179 -2.543 1.00 2.12 O ATOM 653 CB TYR A 39 0.344 -14.771 -0.680 1.00 73.50 C ATOM 654 CG TYR A 39 -0.462 -14.791 -1.946 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.734 -15.988 -2.570 1.00 62.14 C ATOM 656 CD2 TYR A 39 -0.977 -13.625 -2.500 1.00 33.20 C ATOM 657 CE1 TYR A 39 -1.493 -16.040 -3.711 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.735 -13.664 -3.650 1.00 1.32 C ATOM 659 CZ TYR A 39 -1.992 -14.876 -4.250 1.00 33.11 C ATOM 660 OH TYR A 39 -2.770 -14.932 -5.386 1.00 24.32 O ATOM 0 H TYR A 39 1.807 -14.952 1.219 1.00 74.05 H new ATOM 0 HA TYR A 39 2.130 -15.607 -1.575 1.00 12.53 H new ATOM 0 HB2 TYR A 39 0.031 -15.611 -0.060 1.00 73.50 H new ATOM 0 HB3 TYR A 39 0.099 -13.862 -0.131 1.00 73.50 H new ATOM 0 HD1 TYR A 39 -0.342 -16.904 -2.153 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -0.781 -12.676 -2.023 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -1.698 -16.989 -4.184 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.124 -12.752 -4.077 1.00 1.32 H new ATOM 0 HH TYR A 39 -3.045 -14.026 -5.639 1.00 24.32 H new ATOM 670 N ASN A 40 3.064 -12.768 -0.459 1.00 43.42 N ATOM 671 CA ASN A 40 3.573 -11.415 -0.705 1.00 41.25 C ATOM 672 C ASN A 40 2.415 -10.432 -0.790 1.00 40.41 C ATOM 673 O ASN A 40 1.540 -10.573 -1.638 1.00 21.44 O ATOM 674 CB ASN A 40 4.483 -11.332 -1.956 1.00 44.44 C ATOM 675 CG ASN A 40 4.989 -9.927 -2.227 1.00 2.30 C ATOM 676 OD1 ASN A 40 6.014 -9.520 -1.692 1.00 64.13 O ATOM 677 ND2 ASN A 40 4.300 -9.193 -3.069 1.00 53.45 N ATOM 0 H ASN A 40 3.272 -13.108 0.480 1.00 43.42 H new ATOM 0 HA ASN A 40 4.206 -11.144 0.140 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.334 -12.000 -1.825 1.00 44.44 H new ATOM 0 HB3 ASN A 40 3.930 -11.687 -2.825 1.00 44.44 H new ATOM 0 HD21 ASN A 40 4.613 -8.250 -3.298 1.00 53.45 H new ATOM 0 HD22 ASN A 40 3.451 -9.566 -3.495 1.00 53.45 H new ATOM 684 N PRO A 41 2.364 -9.458 0.124 1.00 2.41 N ATOM 685 CA PRO A 41 1.287 -8.475 0.161 1.00 33.40 C ATOM 686 C PRO A 41 1.174 -7.651 -1.128 1.00 61.13 C ATOM 687 O PRO A 41 1.973 -6.730 -1.382 1.00 2.50 O ATOM 688 CB PRO A 41 1.626 -7.575 1.360 1.00 23.24 C ATOM 689 CG PRO A 41 3.065 -7.836 1.655 1.00 52.51 C ATOM 690 CD PRO A 41 3.347 -9.239 1.202 1.00 12.41 C ATOM 0 HA PRO A 41 0.318 -8.966 0.255 1.00 33.40 H new ATOM 0 HB2 PRO A 41 1.458 -6.524 1.123 1.00 23.24 H new ATOM 0 HB3 PRO A 41 0.999 -7.812 2.219 1.00 23.24 H new ATOM 0 HG2 PRO A 41 3.703 -7.124 1.132 1.00 52.51 H new ATOM 0 HG3 PRO A 41 3.269 -7.724 2.720 1.00 52.51 H new ATOM 0 HD2 PRO A 41 4.370 -9.346 0.840 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.219 -9.956 2.013 1.00 12.41 H new ATOM 698 N SER A 42 0.236 -8.049 -1.968 1.00 32.11 N ATOM 699 CA SER A 42 -0.081 -7.340 -3.172 1.00 31.54 C ATOM 700 C SER A 42 -0.619 -5.973 -2.783 1.00 35.33 C ATOM 701 O SER A 42 -1.440 -5.870 -1.863 1.00 31.14 O ATOM 702 CB SER A 42 -1.137 -8.121 -3.928 1.00 33.24 C ATOM 703 OG SER A 42 -0.741 -9.476 -4.098 1.00 63.24 O ATOM 0 H SER A 42 -0.328 -8.886 -1.822 1.00 32.11 H new ATOM 0 HA SER A 42 0.798 -7.223 -3.805 1.00 31.54 H new ATOM 0 HB2 SER A 42 -2.083 -8.079 -3.387 1.00 33.24 H new ATOM 0 HB3 SER A 42 -1.306 -7.662 -4.902 1.00 33.24 H new ATOM 0 HG SER A 42 -1.438 -9.962 -4.587 1.00 63.24 H new ATOM 709 N LEU A 43 -0.195 -4.946 -3.476 1.00 41.22 N ATOM 710 CA LEU A 43 -0.537 -3.601 -3.089 1.00 3.42 C ATOM 711 C LEU A 43 -2.020 -3.328 -3.315 1.00 71.35 C ATOM 712 O LEU A 43 -2.677 -2.745 -2.456 1.00 31.14 O ATOM 713 CB LEU A 43 0.403 -2.578 -3.779 1.00 34.44 C ATOM 714 CG LEU A 43 0.334 -1.100 -3.314 1.00 23.40 C ATOM 715 CD1 LEU A 43 -0.811 -0.346 -3.979 1.00 22.03 C ATOM 716 CD2 LEU A 43 0.212 -1.027 -1.780 1.00 44.53 C ATOM 0 H LEU A 43 0.387 -5.016 -4.311 1.00 41.22 H new ATOM 0 HA LEU A 43 -0.376 -3.483 -2.017 1.00 3.42 H new ATOM 0 HB2 LEU A 43 1.428 -2.923 -3.645 1.00 34.44 H new ATOM 0 HB3 LEU A 43 0.196 -2.602 -4.849 1.00 34.44 H new ATOM 0 HG LEU A 43 1.261 -0.616 -3.620 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -0.822 0.685 -3.625 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -0.674 -0.357 -5.060 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -1.757 -0.826 -3.728 1.00 22.03 H new ATOM 0 HD21 LEU A 43 0.165 0.016 -1.468 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -0.694 -1.542 -1.462 1.00 44.53 H new ATOM 0 HD23 LEU A 43 1.079 -1.503 -1.323 1.00 44.53 H new ATOM 728 N GLN A 44 -2.558 -3.795 -4.434 1.00 2.30 N ATOM 729 CA GLN A 44 -3.978 -3.641 -4.735 1.00 25.44 C ATOM 730 C GLN A 44 -4.830 -4.249 -3.609 1.00 14.52 C ATOM 731 O GLN A 44 -5.797 -3.638 -3.136 1.00 12.34 O ATOM 732 CB GLN A 44 -4.285 -4.334 -6.070 1.00 43.20 C ATOM 733 CG GLN A 44 -5.746 -4.312 -6.489 1.00 23.12 C ATOM 734 CD GLN A 44 -5.976 -5.062 -7.783 1.00 1.11 C ATOM 735 OE1 GLN A 44 -6.217 -6.271 -7.781 1.00 21.35 O ATOM 736 NE2 GLN A 44 -5.914 -4.375 -8.888 1.00 45.30 N ATOM 0 H GLN A 44 -2.029 -4.287 -5.154 1.00 2.30 H new ATOM 0 HA GLN A 44 -4.221 -2.581 -4.812 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -3.692 -3.860 -6.852 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -3.957 -5.372 -6.006 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -6.356 -4.753 -5.701 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -6.074 -3.279 -6.605 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -5.713 -3.376 -8.857 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -6.067 -4.836 -9.785 1.00 45.30 H new ATOM 745 N LEU A 45 -4.450 -5.433 -3.182 1.00 33.52 N ATOM 746 CA LEU A 45 -5.142 -6.124 -2.110 1.00 33.42 C ATOM 747 C LEU A 45 -4.958 -5.437 -0.765 1.00 12.12 C ATOM 748 O LEU A 45 -5.903 -5.334 -0.006 1.00 53.21 O ATOM 749 CB LEU A 45 -4.754 -7.618 -2.026 1.00 75.22 C ATOM 750 CG LEU A 45 -5.310 -8.555 -3.123 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.822 -8.472 -3.179 1.00 72.44 C ATOM 752 CD2 LEU A 45 -4.701 -8.278 -4.495 1.00 1.23 C ATOM 0 H LEU A 45 -3.655 -5.945 -3.565 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.202 -6.076 -2.359 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.666 -7.686 -2.043 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -5.082 -7.998 -1.059 1.00 75.22 H new ATOM 0 HG LEU A 45 -5.022 -9.570 -2.850 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -7.194 -9.138 -3.957 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -7.239 -8.769 -2.217 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -7.122 -7.449 -3.404 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -5.127 -8.964 -5.227 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.919 -7.252 -4.790 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -3.621 -8.420 -4.449 1.00 1.23 H new ATOM 764 N ALA A 46 -3.768 -4.908 -0.517 1.00 72.35 N ATOM 765 CA ALA A 46 -3.448 -4.255 0.760 1.00 41.10 C ATOM 766 C ALA A 46 -4.374 -3.070 1.010 1.00 44.34 C ATOM 767 O ALA A 46 -4.852 -2.860 2.129 1.00 24.52 O ATOM 768 CB ALA A 46 -1.991 -3.812 0.791 1.00 4.33 C ATOM 0 H ALA A 46 -2.997 -4.915 -1.185 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.601 -4.982 1.558 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -1.777 -3.331 1.746 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.344 -4.681 0.669 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -1.808 -3.107 -0.020 1.00 4.33 H new ATOM 774 N LEU A 47 -4.655 -2.335 -0.051 1.00 33.43 N ATOM 775 CA LEU A 47 -5.538 -1.177 -0.001 1.00 23.45 C ATOM 776 C LEU A 47 -6.959 -1.581 0.384 1.00 50.21 C ATOM 777 O LEU A 47 -7.582 -0.968 1.252 1.00 21.23 O ATOM 778 CB LEU A 47 -5.535 -0.480 -1.372 1.00 32.41 C ATOM 779 CG LEU A 47 -4.455 0.593 -1.623 1.00 61.44 C ATOM 780 CD1 LEU A 47 -3.075 0.137 -1.217 1.00 11.43 C ATOM 781 CD2 LEU A 47 -4.458 1.015 -3.082 1.00 70.53 C ATOM 0 H LEU A 47 -4.276 -2.524 -0.979 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.172 -0.490 0.762 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -5.432 -1.247 -2.139 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.511 -0.015 -1.515 1.00 32.41 H new ATOM 0 HG LEU A 47 -4.707 1.447 -0.995 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -2.356 0.932 -1.416 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -3.068 -0.100 -0.153 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -2.802 -0.750 -1.788 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -3.691 1.772 -3.243 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -4.252 0.149 -3.712 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.434 1.427 -3.340 1.00 70.53 H new ATOM 793 N LYS A 48 -7.464 -2.626 -0.239 1.00 52.33 N ATOM 794 CA LYS A 48 -8.791 -3.093 0.088 1.00 54.10 C ATOM 795 C LYS A 48 -8.862 -3.732 1.477 1.00 25.41 C ATOM 796 O LYS A 48 -9.855 -3.575 2.179 1.00 42.33 O ATOM 797 CB LYS A 48 -9.474 -3.913 -1.028 1.00 63.32 C ATOM 798 CG LYS A 48 -8.691 -5.090 -1.580 1.00 23.52 C ATOM 799 CD LYS A 48 -9.504 -5.837 -2.636 1.00 64.34 C ATOM 800 CE LYS A 48 -9.850 -4.952 -3.835 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.725 -5.649 -4.802 1.00 33.32 N ATOM 0 H LYS A 48 -6.983 -3.159 -0.963 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.408 -2.196 0.148 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.424 -4.285 -0.645 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.705 -3.240 -1.853 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.756 -4.738 -2.016 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.428 -5.770 -0.769 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.941 -6.705 -2.978 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.424 -6.211 -2.186 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -10.345 -4.046 -3.486 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -8.932 -4.642 -4.334 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -10.540 -5.289 -5.760 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -10.531 -6.670 -4.772 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.721 -5.479 -4.555 1.00 33.32 H new ATOM 815 N ILE A 49 -7.787 -4.413 1.881 1.00 54.11 N ATOM 816 CA ILE A 49 -7.705 -5.019 3.221 1.00 1.24 C ATOM 817 C ILE A 49 -7.812 -3.926 4.287 1.00 2.41 C ATOM 818 O ILE A 49 -8.555 -4.067 5.266 1.00 64.12 O ATOM 819 CB ILE A 49 -6.370 -5.822 3.419 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.325 -7.035 2.480 1.00 62.35 C ATOM 821 CG2 ILE A 49 -6.195 -6.265 4.870 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.036 -7.835 2.544 1.00 35.31 C ATOM 0 H ILE A 49 -6.960 -4.561 1.303 1.00 54.11 H new ATOM 0 HA ILE A 49 -8.533 -5.721 3.321 1.00 1.24 H new ATOM 0 HB ILE A 49 -5.544 -5.156 3.171 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.159 -7.695 2.719 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.474 -6.691 1.456 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -5.261 -6.818 4.971 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -6.170 -5.389 5.518 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.029 -6.905 5.158 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.093 -8.672 1.848 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.196 -7.195 2.274 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -4.892 -8.213 3.556 1.00 35.31 H new ATOM 834 N ALA A 50 -7.121 -2.818 4.041 1.00 44.20 N ATOM 835 CA ALA A 50 -7.127 -1.660 4.928 1.00 11.21 C ATOM 836 C ALA A 50 -8.541 -1.138 5.108 1.00 70.10 C ATOM 837 O ALA A 50 -8.965 -0.771 6.206 1.00 34.45 O ATOM 838 CB ALA A 50 -6.279 -0.565 4.328 1.00 53.40 C ATOM 0 H ALA A 50 -6.536 -2.697 3.214 1.00 44.20 H new ATOM 0 HA ALA A 50 -6.728 -1.961 5.897 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.282 0.301 4.989 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.257 -0.923 4.204 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.685 -0.282 3.357 1.00 53.40 H new ATOM 844 N TYR A 51 -9.253 -1.090 4.015 1.00 50.04 N ATOM 845 CA TYR A 51 -10.605 -0.622 3.998 1.00 11.22 C ATOM 846 C TYR A 51 -11.573 -1.601 4.689 1.00 40.54 C ATOM 847 O TYR A 51 -12.337 -1.207 5.559 1.00 51.22 O ATOM 848 CB TYR A 51 -11.028 -0.327 2.560 1.00 31.54 C ATOM 849 CG TYR A 51 -12.472 0.040 2.412 1.00 42.44 C ATOM 850 CD1 TYR A 51 -12.931 1.307 2.727 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.375 -0.894 1.963 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.261 1.629 2.593 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.709 -0.587 1.821 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.146 0.679 2.139 1.00 45.04 C ATOM 855 OH TYR A 51 -16.473 1.002 1.989 1.00 12.24 O ATOM 0 H TYR A 51 -8.903 -1.379 3.102 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.653 0.301 4.575 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.415 0.487 2.172 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -10.822 -1.203 1.945 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.235 2.053 3.083 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.031 -1.888 1.717 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.608 2.621 2.842 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.405 -1.331 1.464 1.00 14.05 H new ATOM 0 HH TYR A 51 -16.964 0.221 1.659 1.00 12.24 H new ATOM 865 N TYR A 52 -11.520 -2.866 4.311 1.00 52.41 N ATOM 866 CA TYR A 52 -12.444 -3.872 4.846 1.00 3.45 C ATOM 867 C TYR A 52 -12.241 -4.185 6.315 1.00 25.43 C ATOM 868 O TYR A 52 -13.189 -4.548 7.015 1.00 40.30 O ATOM 869 CB TYR A 52 -12.483 -5.123 3.976 1.00 51.32 C ATOM 870 CG TYR A 52 -13.181 -4.856 2.668 1.00 74.11 C ATOM 871 CD1 TYR A 52 -14.541 -4.621 2.650 1.00 25.42 C ATOM 872 CD2 TYR A 52 -12.495 -4.819 1.467 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.198 -4.359 1.484 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.150 -4.557 0.286 1.00 0.00 C ATOM 875 CZ TYR A 52 -14.504 -4.327 0.303 1.00 75.33 C ATOM 876 OH TYR A 52 -15.172 -4.058 -0.864 1.00 10.50 O ATOM 0 H TYR A 52 -10.848 -3.230 3.635 1.00 52.41 H new ATOM 0 HA TYR A 52 -13.432 -3.415 4.801 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -11.467 -5.468 3.785 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -12.997 -5.923 4.508 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.095 -4.645 3.577 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -11.430 -4.998 1.457 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.263 -4.177 1.491 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -12.605 -4.532 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 52 -14.540 -4.070 -1.613 1.00 10.50 H new ATOM 886 N LEU A 53 -11.031 -4.038 6.784 1.00 43.52 N ATOM 887 CA LEU A 53 -10.754 -4.222 8.198 1.00 35.04 C ATOM 888 C LEU A 53 -10.907 -2.900 8.940 1.00 52.42 C ATOM 889 O LEU A 53 -10.955 -2.870 10.180 1.00 34.31 O ATOM 890 CB LEU A 53 -9.362 -4.827 8.424 1.00 34.25 C ATOM 891 CG LEU A 53 -9.179 -6.270 7.935 1.00 75.05 C ATOM 892 CD1 LEU A 53 -7.750 -6.725 8.139 1.00 73.24 C ATOM 893 CD2 LEU A 53 -10.130 -7.202 8.672 1.00 30.33 C ATOM 0 H LEU A 53 -10.219 -3.793 6.217 1.00 43.52 H new ATOM 0 HA LEU A 53 -11.480 -4.930 8.598 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -8.626 -4.197 7.924 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.139 -4.793 9.490 1.00 34.25 H new ATOM 0 HG LEU A 53 -9.406 -6.301 6.869 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -7.641 -7.750 7.786 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -7.078 -6.075 7.579 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -7.501 -6.678 9.199 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -9.989 -8.222 8.315 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -9.924 -7.160 9.742 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -11.159 -6.892 8.488 1.00 30.33 H new ATOM 904 N ASN A 54 -11.074 -1.829 8.152 1.00 23.44 N ATOM 905 CA ASN A 54 -11.169 -0.441 8.621 1.00 34.54 C ATOM 906 C ASN A 54 -10.067 -0.132 9.611 1.00 23.31 C ATOM 907 O ASN A 54 -10.292 0.000 10.813 1.00 53.04 O ATOM 908 CB ASN A 54 -12.565 -0.110 9.184 1.00 0.13 C ATOM 909 CG ASN A 54 -12.718 1.345 9.620 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.080 2.261 9.069 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.558 1.573 10.599 1.00 61.11 N ATOM 0 H ASN A 54 -11.149 -1.908 7.138 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.030 0.209 7.757 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.316 -0.335 8.426 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.768 -0.759 10.036 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.706 2.525 10.933 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -14.064 0.798 11.028 1.00 61.11 H new ATOM 918 N THR A 55 -8.875 -0.153 9.122 1.00 45.02 N ATOM 919 CA THR A 55 -7.700 0.078 9.905 1.00 24.13 C ATOM 920 C THR A 55 -6.627 0.579 8.951 1.00 75.14 C ATOM 921 O THR A 55 -6.581 0.113 7.810 1.00 45.22 O ATOM 922 CB THR A 55 -7.241 -1.265 10.576 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.305 -1.790 11.389 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.016 -1.074 11.450 1.00 53.13 C ATOM 0 H THR A 55 -8.680 -0.336 8.138 1.00 45.02 H new ATOM 0 HA THR A 55 -7.887 0.805 10.695 1.00 24.13 H new ATOM 0 HB THR A 55 -6.989 -1.958 9.773 1.00 33.24 H new ATOM 0 HG1 THR A 55 -7.937 -2.424 12.039 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.733 -2.028 11.894 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.192 -0.698 10.844 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.241 -0.358 12.241 1.00 53.13 H new ATOM 932 N PRO A 56 -5.808 1.577 9.354 1.00 2.53 N ATOM 933 CA PRO A 56 -4.720 2.057 8.521 1.00 62.14 C ATOM 934 C PRO A 56 -3.815 0.906 8.127 1.00 22.43 C ATOM 935 O PRO A 56 -3.433 0.087 8.976 1.00 73.34 O ATOM 936 CB PRO A 56 -3.963 3.038 9.417 1.00 52.13 C ATOM 937 CG PRO A 56 -4.955 3.467 10.433 1.00 3.21 C ATOM 938 CD PRO A 56 -5.892 2.310 10.629 1.00 22.03 C ATOM 0 HA PRO A 56 -5.072 2.517 7.597 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.100 2.563 9.883 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -3.589 3.888 8.846 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -4.463 3.730 11.369 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -5.496 4.352 10.098 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.589 1.687 11.470 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.909 2.647 10.832 1.00 22.03 H new ATOM 946 N LEU A 57 -3.481 0.838 6.862 1.00 62.42 N ATOM 947 CA LEU A 57 -2.659 -0.234 6.341 1.00 13.13 C ATOM 948 C LEU A 57 -1.302 -0.369 7.023 1.00 71.12 C ATOM 949 O LEU A 57 -0.770 -1.459 7.084 1.00 53.41 O ATOM 950 CB LEU A 57 -2.559 -0.229 4.800 1.00 34.12 C ATOM 951 CG LEU A 57 -2.509 1.130 4.065 1.00 42.20 C ATOM 952 CD1 LEU A 57 -1.396 2.035 4.563 1.00 35.04 C ATOM 953 CD2 LEU A 57 -2.354 0.889 2.579 1.00 13.21 C ATOM 0 H LEU A 57 -3.769 1.522 6.162 1.00 62.42 H new ATOM 0 HA LEU A 57 -3.197 -1.144 6.606 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.664 -0.787 4.525 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -3.413 -0.784 4.411 1.00 34.12 H new ATOM 0 HG LEU A 57 -3.446 1.646 4.273 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -1.414 2.973 4.008 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -1.540 2.239 5.624 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -0.434 1.544 4.415 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -2.318 1.845 2.057 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -1.431 0.340 2.394 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -3.201 0.308 2.214 1.00 13.21 H new ATOM 964 N GLU A 58 -0.771 0.732 7.563 1.00 41.15 N ATOM 965 CA GLU A 58 0.495 0.693 8.297 1.00 25.13 C ATOM 966 C GLU A 58 0.342 -0.090 9.601 1.00 23.31 C ATOM 967 O GLU A 58 1.297 -0.661 10.113 1.00 41.22 O ATOM 968 CB GLU A 58 1.015 2.102 8.611 1.00 25.40 C ATOM 969 CG GLU A 58 1.258 2.973 7.396 1.00 63.30 C ATOM 970 CD GLU A 58 2.001 4.241 7.739 1.00 34.03 C ATOM 971 OE1 GLU A 58 3.239 4.200 7.838 1.00 71.30 O ATOM 972 OE2 GLU A 58 1.364 5.310 7.899 1.00 53.22 O ATOM 0 H GLU A 58 -1.197 1.657 7.506 1.00 41.15 H new ATOM 0 HA GLU A 58 1.219 0.193 7.654 1.00 25.13 H new ATOM 0 HB2 GLU A 58 0.298 2.602 9.262 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.946 2.014 9.170 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.827 2.410 6.656 1.00 63.30 H new ATOM 0 HG3 GLU A 58 0.303 3.227 6.937 1.00 63.30 H new ATOM 979 N ASP A 59 -0.855 -0.068 10.159 1.00 34.01 N ATOM 980 CA ASP A 59 -1.148 -0.799 11.385 1.00 63.41 C ATOM 981 C ASP A 59 -1.214 -2.296 11.072 1.00 42.14 C ATOM 982 O ASP A 59 -0.744 -3.138 11.845 1.00 72.41 O ATOM 983 CB ASP A 59 -2.468 -0.301 12.005 1.00 22.41 C ATOM 984 CG ASP A 59 -2.700 -0.793 13.422 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.096 -0.225 14.355 1.00 14.52 O ATOM 986 OD2 ASP A 59 -3.491 -1.729 13.645 1.00 60.45 O ATOM 0 H ASP A 59 -1.647 0.452 9.781 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.357 -0.626 12.114 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.472 0.789 12.003 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.299 -0.624 11.377 1.00 22.41 H new ATOM 991 N ILE A 60 -1.813 -2.588 9.912 1.00 25.13 N ATOM 992 CA ILE A 60 -2.022 -3.950 9.407 1.00 73.13 C ATOM 993 C ILE A 60 -0.707 -4.580 8.939 1.00 51.12 C ATOM 994 O ILE A 60 -0.318 -5.656 9.400 1.00 44.15 O ATOM 995 CB ILE A 60 -3.071 -3.985 8.260 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.373 -3.311 8.720 1.00 75.01 C ATOM 997 CG2 ILE A 60 -3.345 -5.431 7.841 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.451 -3.244 7.660 1.00 50.54 C ATOM 0 H ILE A 60 -2.174 -1.869 9.285 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.410 -4.538 10.239 1.00 73.13 H new ATOM 0 HB ILE A 60 -2.676 -3.441 7.402 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.762 -3.851 9.583 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -4.145 -2.299 9.054 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -4.081 -5.444 7.037 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.420 -5.891 7.493 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.730 -5.990 8.694 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.334 -2.754 8.070 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -5.085 -2.677 6.804 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -5.711 -4.253 7.342 1.00 50.54 H new ATOM 1010 N PHE A 61 -0.047 -3.934 8.006 1.00 35.15 N ATOM 1011 CA PHE A 61 1.219 -4.424 7.537 1.00 22.52 C ATOM 1012 C PHE A 61 2.279 -3.453 7.973 1.00 61.31 C ATOM 1013 O PHE A 61 2.099 -2.239 7.872 1.00 64.35 O ATOM 1014 CB PHE A 61 1.241 -4.551 5.977 1.00 0.12 C ATOM 1015 CG PHE A 61 0.195 -5.459 5.391 1.00 21.33 C ATOM 1016 CD1 PHE A 61 0.420 -6.819 5.285 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -1.007 -4.944 4.929 1.00 50.52 C ATOM 1018 CE1 PHE A 61 -0.534 -7.651 4.732 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -1.964 -5.771 4.379 1.00 53.10 C ATOM 1020 CZ PHE A 61 -1.727 -7.126 4.280 1.00 22.32 C ATOM 0 H PHE A 61 -0.367 -3.073 7.562 1.00 35.15 H new ATOM 0 HA PHE A 61 1.396 -5.416 7.953 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.118 -3.557 5.546 1.00 0.12 H new ATOM 0 HB3 PHE A 61 2.223 -4.911 5.672 1.00 0.12 H new ATOM 0 HD1 PHE A 61 1.352 -7.235 5.638 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -1.196 -3.883 5.001 1.00 50.52 H new ATOM 0 HE1 PHE A 61 -0.346 -8.712 4.654 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -2.898 -5.358 4.026 1.00 53.10 H new ATOM 0 HZ PHE A 61 -2.475 -7.775 3.849 1.00 22.32 H new ATOM 1030 N GLN A 62 3.386 -3.960 8.407 1.00 72.24 N ATOM 1031 CA GLN A 62 4.455 -3.125 8.825 1.00 2.15 C ATOM 1032 C GLN A 62 5.551 -3.217 7.829 1.00 41.21 C ATOM 1033 O GLN A 62 6.044 -4.306 7.509 1.00 54.12 O ATOM 1034 CB GLN A 62 4.926 -3.470 10.240 1.00 43.12 C ATOM 1035 CG GLN A 62 3.858 -3.217 11.292 1.00 54.21 C ATOM 1036 CD GLN A 62 4.326 -3.457 12.710 1.00 62.30 C ATOM 1037 OE1 GLN A 62 5.181 -4.303 12.977 1.00 51.34 O ATOM 1038 NE2 GLN A 62 3.797 -2.694 13.629 1.00 41.41 N ATOM 0 H GLN A 62 3.571 -4.960 8.480 1.00 72.24 H new ATOM 0 HA GLN A 62 4.109 -2.092 8.874 1.00 2.15 H new ATOM 0 HB2 GLN A 62 5.223 -4.518 10.274 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.811 -2.880 10.478 1.00 43.12 H new ATOM 0 HG2 GLN A 62 3.511 -2.187 11.204 1.00 54.21 H new ATOM 0 HG3 GLN A 62 3.002 -3.860 11.089 1.00 54.21 H new ATOM 0 HE21 GLN A 62 3.091 -2.003 13.374 1.00 41.41 H new ATOM 0 HE22 GLN A 62 4.090 -2.789 14.601 1.00 41.41 H new ATOM 1047 N TRP A 63 5.930 -2.102 7.332 1.00 13.44 N ATOM 1048 CA TRP A 63 6.898 -2.047 6.305 1.00 61.35 C ATOM 1049 C TRP A 63 8.107 -1.241 6.659 1.00 61.52 C ATOM 1050 O TRP A 63 8.024 -0.145 7.223 1.00 24.43 O ATOM 1051 CB TRP A 63 6.286 -1.594 4.981 1.00 14.01 C ATOM 1052 CG TRP A 63 5.203 -0.556 5.096 1.00 34.23 C ATOM 1053 CD1 TRP A 63 5.337 0.744 5.465 1.00 3.21 C ATOM 1054 CD2 TRP A 63 3.818 -0.746 4.813 1.00 53.32 C ATOM 1055 NE1 TRP A 63 4.129 1.378 5.414 1.00 11.14 N ATOM 1056 CE2 TRP A 63 3.179 0.483 5.019 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.059 -1.839 4.398 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 1.821 0.648 4.824 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 1.708 -1.670 4.207 1.00 3.40 C ATOM 1060 CH2 TRP A 63 1.105 -0.438 4.416 1.00 31.53 C ATOM 0 H TRP A 63 5.574 -1.193 7.629 1.00 13.44 H new ATOM 0 HA TRP A 63 7.254 -3.070 6.181 1.00 61.35 H new ATOM 0 HB2 TRP A 63 7.081 -1.198 4.349 1.00 14.01 H new ATOM 0 HB3 TRP A 63 5.878 -2.466 4.471 1.00 14.01 H new ATOM 0 HD1 TRP A 63 6.267 1.210 5.757 1.00 3.21 H new ATOM 0 HE1 TRP A 63 3.964 2.360 5.635 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.523 -2.800 4.230 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 1.344 1.603 4.989 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.107 -2.509 3.889 1.00 3.40 H new ATOM 0 HH2 TRP A 63 0.042 -0.337 4.251 1.00 31.53 H new ATOM 1071 N GLN A 64 9.222 -1.827 6.383 1.00 35.50 N ATOM 1072 CA GLN A 64 10.497 -1.213 6.521 1.00 11.44 C ATOM 1073 C GLN A 64 11.122 -1.231 5.143 1.00 30.22 C ATOM 1074 O GLN A 64 11.212 -2.298 4.538 1.00 33.31 O ATOM 1075 CB GLN A 64 11.357 -2.030 7.489 1.00 44.22 C ATOM 1076 CG GLN A 64 10.786 -2.144 8.896 1.00 32.13 C ATOM 1077 CD GLN A 64 10.785 -0.825 9.638 1.00 24.43 C ATOM 1078 OE1 GLN A 64 11.759 -0.483 10.319 1.00 13.50 O ATOM 1079 NE2 GLN A 64 9.718 -0.089 9.539 1.00 53.21 N ATOM 0 H GLN A 64 9.271 -2.787 6.041 1.00 35.50 H new ATOM 0 HA GLN A 64 10.416 -0.198 6.911 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.489 -3.032 7.081 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.347 -1.577 7.547 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.766 -2.524 8.839 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.367 -2.873 9.461 1.00 32.13 H new ATOM 0 HE21 GLN A 64 8.933 -0.403 8.968 1.00 53.21 H new ATOM 0 HE22 GLN A 64 9.666 0.802 10.032 1.00 53.21 H new ATOM 1088 N PRO A 65 11.562 -0.078 4.612 1.00 63.05 N ATOM 1089 CA PRO A 65 12.186 0.034 3.253 1.00 13.14 C ATOM 1090 C PRO A 65 13.627 -0.524 3.231 1.00 44.11 C ATOM 1091 O PRO A 65 14.439 -0.198 2.367 1.00 4.41 O ATOM 1092 CB PRO A 65 12.191 1.558 3.005 1.00 11.15 C ATOM 1093 CG PRO A 65 11.287 2.115 4.059 1.00 34.32 C ATOM 1094 CD PRO A 65 11.480 1.236 5.246 1.00 62.43 C ATOM 0 HA PRO A 65 11.648 -0.537 2.496 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.197 1.970 3.087 1.00 11.15 H new ATOM 0 HB3 PRO A 65 11.829 1.798 2.005 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.542 3.149 4.290 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.248 2.109 3.730 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.386 1.484 5.799 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.649 1.304 5.948 1.00 62.43 H new ATOM 1102 N GLU A 66 13.847 -1.431 4.123 1.00 22.55 N ATOM 1103 CA GLU A 66 15.086 -2.083 4.397 1.00 60.44 C ATOM 1104 C GLU A 66 14.714 -3.435 4.940 1.00 3.22 C ATOM 1105 O GLU A 66 14.735 -4.414 4.193 1.00 11.44 O ATOM 1106 CB GLU A 66 15.928 -1.308 5.430 1.00 14.51 C ATOM 1107 CG GLU A 66 16.463 0.051 4.964 1.00 33.32 C ATOM 1108 CD GLU A 66 17.408 -0.049 3.780 1.00 75.24 C ATOM 1109 OE1 GLU A 66 18.387 -0.836 3.841 1.00 31.01 O ATOM 1110 OE2 GLU A 66 17.229 0.690 2.783 1.00 24.43 O ATOM 1111 OXT GLU A 66 14.225 -3.506 6.072 1.00 0.00 O ATOM 0 H GLU A 66 13.100 -1.764 4.732 1.00 22.55 H new ATOM 0 HA GLU A 66 15.697 -2.148 3.497 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.322 -1.153 6.323 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.774 -1.930 5.723 1.00 14.51 H new ATOM 0 HG2 GLU A 66 15.623 0.692 4.696 1.00 33.32 H new ATOM 0 HG3 GLU A 66 16.980 0.534 5.793 1.00 33.32 H new ATOM 1119 N MET B 67 -12.030 1.632 -7.482 1.00 4.52 N ATOM 1120 CA MET B 67 -11.527 2.911 -7.949 1.00 15.43 C ATOM 1121 C MET B 67 -10.318 3.318 -7.150 1.00 54.41 C ATOM 1122 O MET B 67 -10.421 3.635 -5.965 1.00 33.23 O ATOM 1123 CB MET B 67 -12.601 4.006 -7.844 1.00 32.24 C ATOM 1124 CG MET B 67 -13.733 3.888 -8.841 1.00 0.23 C ATOM 1125 SD MET B 67 -13.168 4.092 -10.544 1.00 54.32 S ATOM 1126 CE MET B 67 -14.724 3.970 -11.425 1.00 74.51 C ATOM 0 HA MET B 67 -11.252 2.795 -8.997 1.00 15.43 H new ATOM 0 HB2 MET B 67 -13.020 3.988 -6.838 1.00 32.24 H new ATOM 0 HB3 MET B 67 -12.123 4.977 -7.973 1.00 32.24 H new ATOM 0 HG2 MET B 67 -14.210 2.914 -8.733 1.00 0.23 H new ATOM 0 HG3 MET B 67 -14.490 4.640 -8.619 1.00 0.23 H new ATOM 0 HE1 MET B 67 -14.546 4.076 -12.495 1.00 74.51 H new ATOM 0 HE2 MET B 67 -15.179 2.999 -11.228 1.00 74.51 H new ATOM 0 HE3 MET B 67 -15.395 4.760 -11.089 1.00 74.51 H new ATOM 1138 N ILE B 68 -9.176 3.257 -7.757 1.00 22.43 N ATOM 1139 CA ILE B 68 -7.983 3.744 -7.140 1.00 32.41 C ATOM 1140 C ILE B 68 -7.705 5.121 -7.707 1.00 45.13 C ATOM 1141 O ILE B 68 -7.703 5.308 -8.929 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.760 2.805 -7.395 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -7.044 1.378 -6.882 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.484 3.363 -6.752 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -7.378 1.292 -5.401 1.00 54.01 C ATOM 0 H ILE B 68 -9.044 2.870 -8.691 1.00 22.43 H new ATOM 0 HA ILE B 68 -8.129 3.780 -6.060 1.00 32.41 H new ATOM 0 HB ILE B 68 -6.601 2.758 -8.472 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -7.873 0.959 -7.453 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -6.173 0.754 -7.081 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.652 2.686 -6.948 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -5.262 4.343 -7.175 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -5.630 3.457 -5.676 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -7.563 0.253 -5.129 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -6.542 1.677 -4.817 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -8.269 1.885 -5.194 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.517 6.072 -6.839 1.00 31.31 N ATOM 1158 CA ILE B 69 -7.239 7.431 -7.222 1.00 25.12 C ATOM 1159 C ILE B 69 -5.842 7.717 -6.743 1.00 13.31 C ATOM 1160 O ILE B 69 -5.544 7.522 -5.564 1.00 33.20 O ATOM 1161 CB ILE B 69 -8.237 8.482 -6.577 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.702 8.307 -7.061 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.781 9.918 -6.837 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -10.436 7.101 -6.506 1.00 2.41 C ATOM 0 H ILE B 69 -7.552 5.926 -5.830 1.00 31.31 H new ATOM 0 HA ILE B 69 -7.355 7.531 -8.301 1.00 25.12 H new ATOM 0 HB ILE B 69 -8.218 8.284 -5.505 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.262 9.204 -6.797 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.701 8.240 -8.149 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.487 10.612 -6.381 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.792 10.070 -6.404 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.738 10.097 -7.911 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -11.449 7.075 -6.908 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -9.908 6.191 -6.791 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.479 7.170 -5.419 1.00 2.41 H new ATOM 1176 N ASN B 70 -4.980 8.120 -7.620 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.609 8.363 -7.254 1.00 24.23 C ATOM 1178 C ASN B 70 -3.360 9.851 -7.167 1.00 32.00 C ATOM 1179 O ASN B 70 -3.724 10.599 -8.080 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.686 7.745 -8.303 1.00 41.35 C ATOM 1181 CG ASN B 70 -1.221 8.001 -8.031 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.799 8.113 -6.894 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.449 8.123 -9.072 1.00 33.01 N ATOM 0 H ASN B 70 -5.196 8.291 -8.602 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.407 7.911 -6.283 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -2.859 6.670 -8.342 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -2.942 8.145 -9.284 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.545 8.319 -8.950 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -0.838 8.023 -10.010 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.769 10.284 -6.086 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.448 11.682 -5.893 1.00 54.20 C ATOM 1192 C ASN B 71 -0.976 11.865 -5.622 1.00 74.31 C ATOM 1193 O ASN B 71 -0.567 12.858 -5.039 1.00 70.34 O ATOM 1194 CB ASN B 71 -3.318 12.327 -4.797 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.732 12.619 -5.280 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.952 12.885 -6.472 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -5.686 12.590 -4.390 1.00 62.53 N ATOM 0 H ASN B 71 -2.494 9.681 -5.311 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.681 12.204 -6.821 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -3.361 11.664 -3.933 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.851 13.254 -4.464 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.647 12.790 -4.666 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -5.470 12.368 -3.418 1.00 62.53 H new ATOM 1204 N LEU B 72 -0.186 10.921 -6.124 1.00 31.42 N ATOM 1205 CA LEU B 72 1.278 10.908 -6.022 1.00 41.12 C ATOM 1206 C LEU B 72 1.847 12.280 -6.405 1.00 32.41 C ATOM 1207 O LEU B 72 2.604 12.887 -5.638 1.00 15.34 O ATOM 1208 CB LEU B 72 1.823 9.806 -6.977 1.00 22.14 C ATOM 1209 CG LEU B 72 3.280 9.311 -6.816 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.327 10.368 -7.139 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.484 8.752 -5.430 1.00 33.32 C ATOM 0 H LEU B 72 -0.554 10.116 -6.630 1.00 31.42 H new ATOM 0 HA LEU B 72 1.582 10.693 -4.997 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.171 8.938 -6.880 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.714 10.175 -7.997 1.00 22.14 H new ATOM 0 HG LEU B 72 3.425 8.522 -7.554 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.323 9.947 -7.003 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.208 10.694 -8.172 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.200 11.221 -6.473 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.512 8.406 -5.325 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.285 9.529 -4.692 1.00 33.32 H new ATOM 0 HD23 LEU B 72 2.802 7.917 -5.270 1.00 33.32 H new ATOM 1223 N LYS B 73 1.455 12.779 -7.569 1.00 14.34 N ATOM 1224 CA LYS B 73 1.945 14.068 -8.026 1.00 42.10 C ATOM 1225 C LYS B 73 1.447 15.228 -7.167 1.00 53.11 C ATOM 1226 O LYS B 73 2.211 16.125 -6.860 1.00 74.22 O ATOM 1227 CB LYS B 73 1.758 14.287 -9.540 1.00 5.41 C ATOM 1228 CG LYS B 73 0.370 14.016 -10.088 1.00 35.52 C ATOM 1229 CD LYS B 73 0.378 14.118 -11.600 1.00 25.45 C ATOM 1230 CE LYS B 73 -0.911 13.623 -12.225 1.00 12.21 C ATOM 1231 NZ LYS B 73 -0.872 13.722 -13.702 1.00 61.12 N ATOM 0 H LYS B 73 0.807 12.316 -8.206 1.00 14.34 H new ATOM 0 HA LYS B 73 3.025 14.048 -7.881 1.00 42.10 H new ATOM 0 HB2 LYS B 73 2.023 15.318 -9.773 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.466 13.649 -10.069 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.038 13.023 -9.784 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -0.340 14.731 -9.671 1.00 35.52 H new ATOM 0 HD2 LYS B 73 0.542 15.156 -11.889 1.00 25.45 H new ATOM 0 HD3 LYS B 73 1.214 13.541 -11.995 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -1.083 12.587 -11.933 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -1.749 14.206 -11.842 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -1.769 13.375 -14.097 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -0.732 14.714 -13.980 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 -0.087 13.146 -14.068 1.00 61.12 H new ATOM 1245 N LEU B 74 0.185 15.180 -6.751 1.00 3.54 N ATOM 1246 CA LEU B 74 -0.393 16.190 -5.845 1.00 24.22 C ATOM 1247 C LEU B 74 0.437 16.267 -4.543 1.00 33.32 C ATOM 1248 O LEU B 74 0.767 17.367 -4.065 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.894 15.829 -5.570 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.783 16.795 -4.724 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.453 16.758 -3.241 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.695 18.216 -5.250 1.00 34.11 C ATOM 0 H LEU B 74 -0.470 14.448 -7.026 1.00 3.54 H new ATOM 0 HA LEU B 74 -0.361 17.178 -6.305 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -2.380 15.703 -6.537 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.909 14.857 -5.077 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.808 16.439 -4.830 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -3.104 17.450 -2.706 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -2.605 15.748 -2.859 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -1.413 17.049 -3.092 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -3.323 18.868 -4.643 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -1.662 18.559 -5.200 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -3.037 18.243 -6.285 1.00 34.11 H new ATOM 1264 N ILE B 75 0.774 15.103 -3.995 1.00 72.34 N ATOM 1265 CA ILE B 75 1.607 14.999 -2.787 1.00 55.53 C ATOM 1266 C ILE B 75 3.012 15.537 -3.049 1.00 3.21 C ATOM 1267 O ILE B 75 3.613 16.198 -2.182 1.00 40.20 O ATOM 1268 CB ILE B 75 1.637 13.536 -2.182 1.00 33.31 C ATOM 1269 CG1 ILE B 75 0.389 13.256 -1.312 1.00 5.53 C ATOM 1270 CG2 ILE B 75 2.906 13.268 -1.365 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.940 13.366 -2.013 1.00 1.24 C ATOM 0 H ILE B 75 0.480 14.201 -4.371 1.00 72.34 H new ATOM 0 HA ILE B 75 1.142 15.624 -2.025 1.00 55.53 H new ATOM 0 HB ILE B 75 1.634 12.857 -3.035 1.00 33.31 H new ATOM 0 HG12 ILE B 75 0.477 12.252 -0.897 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.393 13.950 -0.471 1.00 5.53 H new ATOM 0 HG21 ILE B 75 2.878 12.252 -0.972 1.00 15.31 H new ATOM 0 HG22 ILE B 75 3.782 13.386 -2.003 1.00 15.31 H new ATOM 0 HG23 ILE B 75 2.962 13.975 -0.538 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.742 13.149 -1.308 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -1.063 14.376 -2.403 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.978 12.652 -2.836 1.00 1.24 H new ATOM 1283 N ARG B 76 3.524 15.271 -4.241 1.00 23.44 N ATOM 1284 CA ARG B 76 4.817 15.794 -4.643 1.00 2.23 C ATOM 1285 C ARG B 76 4.819 17.299 -4.636 1.00 61.23 C ATOM 1286 O ARG B 76 5.819 17.897 -4.311 1.00 0.10 O ATOM 1287 CB ARG B 76 5.239 15.347 -6.026 1.00 24.15 C ATOM 1288 CG ARG B 76 5.678 13.914 -6.170 1.00 71.12 C ATOM 1289 CD ARG B 76 6.326 13.752 -7.529 1.00 32.20 C ATOM 1290 NE ARG B 76 7.421 14.734 -7.677 1.00 64.13 N ATOM 1291 CZ ARG B 76 7.637 15.511 -8.751 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.957 15.345 -9.857 1.00 64.25 N ATOM 1293 NH2 ARG B 76 8.542 16.464 -8.694 1.00 51.23 N ATOM 0 H ARG B 76 3.062 14.696 -4.946 1.00 23.44 H new ATOM 0 HA ARG B 76 5.522 15.396 -3.913 1.00 2.23 H new ATOM 0 HB2 ARG B 76 4.406 15.517 -6.708 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.057 15.988 -6.356 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.381 13.651 -5.380 1.00 71.12 H new ATOM 0 HG3 ARG B 76 4.824 13.243 -6.074 1.00 71.12 H new ATOM 0 HD2 ARG B 76 6.715 12.740 -7.639 1.00 32.20 H new ATOM 0 HD3 ARG B 76 5.586 13.897 -8.316 1.00 32.20 H new ATOM 0 HE ARG B 76 8.069 14.830 -6.895 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.247 14.615 -9.915 1.00 64.25 H new ATOM 0 HH12 ARG B 76 7.137 15.946 -10.661 1.00 64.25 H new ATOM 0 HH21 ARG B 76 9.076 16.610 -7.837 1.00 51.23 H new ATOM 0 HH22 ARG B 76 8.710 17.057 -9.507 1.00 51.23 H new ATOM 1307 N GLU B 77 3.718 17.894 -5.069 1.00 3.43 N ATOM 1308 CA GLU B 77 3.550 19.338 -5.093 1.00 32.25 C ATOM 1309 C GLU B 77 3.423 19.914 -3.672 1.00 23.22 C ATOM 1310 O GLU B 77 3.772 21.071 -3.431 1.00 24.24 O ATOM 1311 CB GLU B 77 2.375 19.724 -5.987 1.00 73.21 C ATOM 1312 CG GLU B 77 2.508 19.156 -7.393 1.00 31.54 C ATOM 1313 CD GLU B 77 1.386 19.537 -8.320 1.00 75.21 C ATOM 1314 OE1 GLU B 77 0.212 19.230 -8.026 1.00 73.43 O ATOM 1315 OE2 GLU B 77 1.664 20.155 -9.377 1.00 52.20 O ATOM 0 H GLU B 77 2.908 17.382 -5.417 1.00 3.43 H new ATOM 0 HA GLU B 77 4.447 19.783 -5.524 1.00 32.25 H new ATOM 0 HB2 GLU B 77 1.448 19.366 -5.539 1.00 73.21 H new ATOM 0 HB3 GLU B 77 2.304 20.810 -6.042 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.451 19.496 -7.822 1.00 31.54 H new ATOM 0 HG3 GLU B 77 2.560 18.069 -7.330 1.00 31.54 H new ATOM 1322 N LYS B 78 2.813 19.136 -2.763 1.00 12.34 N ATOM 1323 CA LYS B 78 2.763 19.496 -1.329 1.00 0.30 C ATOM 1324 C LYS B 78 4.169 19.635 -0.722 1.00 41.03 C ATOM 1325 O LYS B 78 4.373 20.395 0.223 1.00 70.21 O ATOM 1326 CB LYS B 78 1.919 18.505 -0.519 1.00 31.15 C ATOM 1327 CG LYS B 78 0.448 18.487 -0.890 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.177 19.852 -0.682 1.00 63.03 C ATOM 1329 CE LYS B 78 -1.638 19.866 -1.077 1.00 13.30 C ATOM 1330 NZ LYS B 78 -2.214 21.218 -0.973 1.00 22.43 N ATOM 0 H LYS B 78 2.348 18.257 -2.990 1.00 12.34 H new ATOM 0 HA LYS B 78 2.278 20.471 -1.273 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.328 17.503 -0.653 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.012 18.748 0.540 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.335 18.185 -1.931 1.00 63.14 H new ATOM 0 HG3 LYS B 78 -0.075 17.747 -0.285 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -0.080 20.141 0.365 1.00 63.03 H new ATOM 0 HD3 LYS B 78 0.365 20.594 -1.268 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -1.743 19.503 -2.099 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -2.195 19.182 -0.437 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -3.216 21.191 -1.251 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -2.136 21.554 0.008 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -1.697 21.865 -1.603 1.00 22.43 H new ATOM 1344 N LYS B 79 5.104 18.868 -1.231 1.00 11.23 N ATOM 1345 CA LYS B 79 6.521 19.033 -0.910 1.00 71.54 C ATOM 1346 C LYS B 79 7.107 19.684 -2.145 1.00 62.41 C ATOM 1347 O LYS B 79 6.345 20.198 -2.944 1.00 22.21 O ATOM 1348 CB LYS B 79 7.187 17.664 -0.666 1.00 24.24 C ATOM 1349 CG LYS B 79 6.631 16.892 0.523 1.00 24.13 C ATOM 1350 CD LYS B 79 6.819 17.656 1.826 1.00 4.22 C ATOM 1351 CE LYS B 79 6.272 16.883 3.019 1.00 44.25 C ATOM 1352 NZ LYS B 79 4.813 16.653 2.929 1.00 54.41 N ATOM 0 H LYS B 79 4.913 18.107 -1.882 1.00 11.23 H new ATOM 0 HA LYS B 79 6.676 19.622 -0.006 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.074 17.055 -1.563 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.256 17.816 -0.516 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.570 16.695 0.366 1.00 24.13 H new ATOM 0 HG3 LYS B 79 7.128 15.924 0.593 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.879 17.858 1.979 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.317 18.621 1.757 1.00 4.22 H new ATOM 0 HE2 LYS B 79 6.783 15.923 3.090 1.00 44.25 H new ATOM 0 HE3 LYS B 79 6.494 17.431 3.935 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 4.461 16.293 3.839 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 4.334 17.548 2.702 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 4.617 15.956 2.182 1.00 54.41 H new ATOM 1366 N LYS B 80 8.391 19.764 -2.331 1.00 71.43 N ATOM 1367 CA LYS B 80 8.869 20.170 -3.623 1.00 32.42 C ATOM 1368 C LYS B 80 10.193 19.510 -3.937 1.00 13.24 C ATOM 1369 O LYS B 80 11.284 20.076 -3.762 1.00 5.54 O ATOM 1370 CB LYS B 80 8.852 21.700 -3.848 1.00 73.24 C ATOM 1371 CG LYS B 80 9.607 22.545 -2.844 1.00 40.21 C ATOM 1372 CD LYS B 80 9.345 24.004 -3.130 1.00 43.22 C ATOM 1373 CE LYS B 80 10.148 24.922 -2.244 1.00 70.42 C ATOM 1374 NZ LYS B 80 9.821 26.336 -2.513 1.00 23.43 N ATOM 0 H LYS B 80 9.107 19.562 -1.633 1.00 71.43 H new ATOM 0 HA LYS B 80 8.153 19.806 -4.359 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.260 21.903 -4.838 1.00 73.24 H new ATOM 0 HB3 LYS B 80 7.813 22.031 -3.858 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.290 22.298 -1.831 1.00 40.21 H new ATOM 0 HG3 LYS B 80 10.675 22.336 -2.904 1.00 40.21 H new ATOM 0 HD2 LYS B 80 9.581 24.214 -4.173 1.00 43.22 H new ATOM 0 HD3 LYS B 80 8.284 24.212 -2.995 1.00 43.22 H new ATOM 0 HE2 LYS B 80 9.947 24.691 -1.198 1.00 70.42 H new ATOM 0 HE3 LYS B 80 11.212 24.753 -2.409 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 10.387 26.948 -1.891 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 10.036 26.559 -3.506 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 8.810 26.499 -2.332 1.00 23.43 H new ATOM 1388 N ILE B 81 10.079 18.272 -4.315 1.00 13.13 N ATOM 1389 CA ILE B 81 11.187 17.433 -4.658 1.00 43.54 C ATOM 1390 C ILE B 81 10.909 16.904 -6.045 1.00 51.30 C ATOM 1391 O ILE B 81 9.825 16.369 -6.307 1.00 65.41 O ATOM 1392 CB ILE B 81 11.351 16.254 -3.644 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.542 16.807 -2.216 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.535 15.364 -4.036 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.635 15.747 -1.136 1.00 1.24 C ATOM 0 H ILE B 81 9.178 17.801 -4.396 1.00 13.13 H new ATOM 0 HA ILE B 81 12.118 17.999 -4.625 1.00 43.54 H new ATOM 0 HB ILE B 81 10.446 15.647 -3.668 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.449 17.411 -2.193 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.710 17.472 -1.984 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.632 14.550 -3.318 1.00 62.43 H new ATOM 0 HG22 ILE B 81 12.367 14.952 -5.031 1.00 62.43 H new ATOM 0 HG23 ILE B 81 13.450 15.956 -4.039 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.768 16.226 -0.166 1.00 1.24 H new ATOM 0 HD12 ILE B 81 10.719 15.156 -1.126 1.00 1.24 H new ATOM 0 HD13 ILE B 81 12.485 15.095 -1.338 1.00 1.24 H new ATOM 1407 N SER B 82 11.857 17.041 -6.907 1.00 2.42 N ATOM 1408 CA SER B 82 11.701 16.743 -8.291 1.00 41.31 C ATOM 1409 C SER B 82 11.892 15.250 -8.545 1.00 13.21 C ATOM 1410 O SER B 82 12.431 14.531 -7.686 1.00 35.13 O ATOM 1411 CB SER B 82 12.693 17.580 -9.059 1.00 43.33 C ATOM 1412 OG SER B 82 12.542 18.946 -8.695 1.00 71.34 O ATOM 0 H SER B 82 12.790 17.373 -6.662 1.00 2.42 H new ATOM 0 HA SER B 82 10.692 16.985 -8.626 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.709 17.246 -8.846 1.00 43.33 H new ATOM 0 HB3 SER B 82 12.535 17.458 -10.131 1.00 43.33 H new ATOM 0 HG SER B 82 13.187 19.490 -9.192 1.00 71.34 H new ATOM 1418 N GLN B 83 11.487 14.800 -9.722 1.00 45.12 N ATOM 1419 CA GLN B 83 11.486 13.386 -10.050 1.00 65.34 C ATOM 1420 C GLN B 83 12.889 12.792 -10.051 1.00 13.44 C ATOM 1421 O GLN B 83 13.073 11.665 -9.621 1.00 12.11 O ATOM 1422 CB GLN B 83 10.745 13.095 -11.371 1.00 30.22 C ATOM 1423 CG GLN B 83 11.317 13.790 -12.594 1.00 4.43 C ATOM 1424 CD GLN B 83 10.540 13.488 -13.855 1.00 53.31 C ATOM 1425 OE1 GLN B 83 9.589 14.185 -14.192 1.00 72.33 O ATOM 1426 NE2 GLN B 83 10.930 12.469 -14.566 1.00 45.23 N ATOM 0 H GLN B 83 11.151 15.403 -10.473 1.00 45.12 H new ATOM 0 HA GLN B 83 10.931 12.888 -9.255 1.00 65.34 H new ATOM 0 HB2 GLN B 83 10.754 12.019 -11.546 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.702 13.391 -11.258 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.323 14.867 -12.425 1.00 4.43 H new ATOM 0 HG3 GLN B 83 12.354 13.483 -12.729 1.00 4.43 H new ATOM 0 HE21 GLN B 83 11.725 11.908 -14.260 1.00 45.23 H new ATOM 0 HE22 GLN B 83 10.441 12.232 -15.429 1.00 45.23 H new ATOM 1435 N SER B 84 13.879 13.560 -10.484 1.00 55.44 N ATOM 1436 CA SER B 84 15.243 13.080 -10.532 1.00 52.11 C ATOM 1437 C SER B 84 15.808 12.845 -9.126 1.00 62.21 C ATOM 1438 O SER B 84 16.365 11.774 -8.840 1.00 10.02 O ATOM 1439 CB SER B 84 16.098 14.072 -11.321 1.00 45.03 C ATOM 1440 OG SER B 84 15.856 15.403 -10.870 1.00 21.34 O ATOM 0 H SER B 84 13.757 14.520 -10.807 1.00 55.44 H new ATOM 0 HA SER B 84 15.261 12.115 -11.038 1.00 52.11 H new ATOM 0 HB2 SER B 84 17.154 13.827 -11.203 1.00 45.03 H new ATOM 0 HB3 SER B 84 15.870 13.994 -12.384 1.00 45.03 H new ATOM 0 HG SER B 84 16.669 15.761 -10.456 1.00 21.34 H new ATOM 1446 N GLU B 85 15.627 13.820 -8.247 1.00 50.43 N ATOM 1447 CA GLU B 85 16.143 13.721 -6.891 1.00 3.23 C ATOM 1448 C GLU B 85 15.376 12.707 -6.071 1.00 41.23 C ATOM 1449 O GLU B 85 15.972 11.965 -5.287 1.00 11.14 O ATOM 1450 CB GLU B 85 16.163 15.070 -6.162 1.00 33.34 C ATOM 1451 CG GLU B 85 17.176 16.095 -6.673 1.00 42.23 C ATOM 1452 CD GLU B 85 16.883 16.611 -8.053 1.00 44.10 C ATOM 1453 OE1 GLU B 85 15.934 17.395 -8.206 1.00 70.32 O ATOM 1454 OE2 GLU B 85 17.600 16.240 -9.010 1.00 64.25 O ATOM 0 H GLU B 85 15.128 14.686 -8.448 1.00 50.43 H new ATOM 0 HA GLU B 85 17.174 13.384 -6.994 1.00 3.23 H new ATOM 0 HB2 GLU B 85 15.168 15.510 -6.226 1.00 33.34 H new ATOM 0 HB3 GLU B 85 16.363 14.887 -5.106 1.00 33.34 H new ATOM 0 HG2 GLU B 85 17.206 16.936 -5.981 1.00 42.23 H new ATOM 0 HG3 GLU B 85 18.168 15.643 -6.669 1.00 42.23 H new ATOM 1461 N LEU B 86 14.062 12.657 -6.261 1.00 73.22 N ATOM 1462 CA LEU B 86 13.233 11.730 -5.522 1.00 10.22 C ATOM 1463 C LEU B 86 13.573 10.306 -5.921 1.00 65.33 C ATOM 1464 O LEU B 86 13.721 9.451 -5.067 1.00 30.50 O ATOM 1465 CB LEU B 86 11.739 12.026 -5.731 1.00 32.54 C ATOM 1466 CG LEU B 86 10.754 11.190 -4.896 1.00 41.02 C ATOM 1467 CD1 LEU B 86 11.014 11.377 -3.403 1.00 52.52 C ATOM 1468 CD2 LEU B 86 9.322 11.574 -5.230 1.00 23.21 C ATOM 0 H LEU B 86 13.555 13.248 -6.920 1.00 73.22 H new ATOM 0 HA LEU B 86 13.437 11.853 -4.458 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.565 13.079 -5.511 1.00 32.54 H new ATOM 0 HB3 LEU B 86 11.505 11.878 -6.785 1.00 32.54 H new ATOM 0 HG LEU B 86 10.905 10.139 -5.142 1.00 41.02 H new ATOM 0 HD11 LEU B 86 10.306 10.776 -2.832 1.00 52.52 H new ATOM 0 HD12 LEU B 86 12.030 11.060 -3.168 1.00 52.52 H new ATOM 0 HD13 LEU B 86 10.892 12.428 -3.141 1.00 52.52 H new ATOM 0 HD21 LEU B 86 8.636 10.975 -4.632 1.00 23.21 H new ATOM 0 HD22 LEU B 86 9.168 12.630 -5.010 1.00 23.21 H new ATOM 0 HD23 LEU B 86 9.134 11.393 -6.288 1.00 23.21 H new ATOM 1480 N ALA B 87 13.767 10.082 -7.221 1.00 4.44 N ATOM 1481 CA ALA B 87 14.134 8.768 -7.734 1.00 14.42 C ATOM 1482 C ALA B 87 15.443 8.297 -7.127 1.00 35.03 C ATOM 1483 O ALA B 87 15.573 7.134 -6.749 1.00 72.55 O ATOM 1484 CB ALA B 87 14.248 8.789 -9.242 1.00 1.41 C ATOM 0 H ALA B 87 13.675 10.800 -7.939 1.00 4.44 H new ATOM 0 HA ALA B 87 13.344 8.072 -7.452 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.523 7.797 -9.600 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.291 9.079 -9.675 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.013 9.507 -9.539 1.00 1.41 H new ATOM 1490 N ALA B 88 16.402 9.212 -7.008 1.00 4.14 N ATOM 1491 CA ALA B 88 17.698 8.902 -6.425 1.00 53.23 C ATOM 1492 C ALA B 88 17.551 8.512 -4.958 1.00 34.22 C ATOM 1493 O ALA B 88 18.190 7.564 -4.493 1.00 30.41 O ATOM 1494 CB ALA B 88 18.642 10.082 -6.573 1.00 24.13 C ATOM 0 H ALA B 88 16.301 10.181 -7.311 1.00 4.14 H new ATOM 0 HA ALA B 88 18.121 8.052 -6.961 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.607 9.833 -6.132 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.775 10.311 -7.630 1.00 24.13 H new ATOM 0 HB3 ALA B 88 18.223 10.950 -6.063 1.00 24.13 H new ATOM 1500 N LEU B 89 16.676 9.219 -4.250 1.00 71.12 N ATOM 1501 CA LEU B 89 16.397 8.940 -2.845 1.00 42.20 C ATOM 1502 C LEU B 89 15.771 7.568 -2.685 1.00 63.22 C ATOM 1503 O LEU B 89 16.116 6.825 -1.778 1.00 30.24 O ATOM 1504 CB LEU B 89 15.457 9.995 -2.251 1.00 60.54 C ATOM 1505 CG LEU B 89 15.991 11.422 -2.172 1.00 63.34 C ATOM 1506 CD1 LEU B 89 14.915 12.355 -1.641 1.00 60.14 C ATOM 1507 CD2 LEU B 89 17.229 11.477 -1.287 1.00 50.33 C ATOM 0 H LEU B 89 16.142 9.999 -4.632 1.00 71.12 H new ATOM 0 HA LEU B 89 17.347 8.969 -2.311 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.541 10.007 -2.842 1.00 60.54 H new ATOM 0 HB3 LEU B 89 15.182 9.678 -1.245 1.00 60.54 H new ATOM 0 HG LEU B 89 16.270 11.747 -3.174 1.00 63.34 H new ATOM 0 HD11 LEU B 89 15.307 13.371 -1.589 1.00 60.14 H new ATOM 0 HD12 LEU B 89 14.053 12.333 -2.308 1.00 60.14 H new ATOM 0 HD13 LEU B 89 14.612 12.032 -0.645 1.00 60.14 H new ATOM 0 HD21 LEU B 89 17.598 12.502 -1.241 1.00 50.33 H new ATOM 0 HD22 LEU B 89 16.974 11.138 -0.283 1.00 50.33 H new ATOM 0 HD23 LEU B 89 18.002 10.831 -1.703 1.00 50.33 H new ATOM 1519 N LEU B 90 14.908 7.213 -3.617 1.00 61.11 N ATOM 1520 CA LEU B 90 14.174 5.954 -3.550 1.00 33.50 C ATOM 1521 C LEU B 90 15.014 4.813 -4.117 1.00 13.04 C ATOM 1522 O LEU B 90 14.606 3.640 -4.058 1.00 54.12 O ATOM 1523 CB LEU B 90 12.900 6.053 -4.398 1.00 1.13 C ATOM 1524 CG LEU B 90 11.989 7.257 -4.177 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.801 7.205 -5.113 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.535 7.355 -2.745 1.00 43.42 C ATOM 0 H LEU B 90 14.694 7.780 -4.437 1.00 61.11 H new ATOM 0 HA LEU B 90 13.934 5.760 -2.505 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.195 6.044 -5.447 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.312 5.152 -4.225 1.00 1.13 H new ATOM 0 HG LEU B 90 12.568 8.154 -4.399 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.163 8.072 -4.940 1.00 24.05 H new ATOM 0 HD12 LEU B 90 11.151 7.212 -6.145 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.232 6.294 -4.929 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.888 8.224 -2.627 1.00 43.42 H new ATOM 0 HD22 LEU B 90 10.984 6.454 -2.475 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.403 7.458 -2.094 1.00 43.42 H new ATOM 1538 N GLU B 91 16.187 5.165 -4.657 1.00 45.33 N ATOM 1539 CA GLU B 91 17.105 4.226 -5.307 1.00 22.43 C ATOM 1540 C GLU B 91 16.443 3.587 -6.528 1.00 63.31 C ATOM 1541 O GLU B 91 16.750 2.444 -6.891 1.00 72.53 O ATOM 1542 CB GLU B 91 17.558 3.140 -4.333 1.00 34.10 C ATOM 1543 CG GLU B 91 18.285 3.646 -3.109 1.00 74.02 C ATOM 1544 CD GLU B 91 18.622 2.522 -2.181 1.00 63.23 C ATOM 1545 OE1 GLU B 91 19.629 1.828 -2.410 1.00 54.24 O ATOM 1546 OE2 GLU B 91 17.850 2.273 -1.225 1.00 73.13 O ATOM 0 H GLU B 91 16.529 6.126 -4.654 1.00 45.33 H new ATOM 0 HA GLU B 91 17.982 4.787 -5.632 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.684 2.574 -4.010 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.209 2.445 -4.863 1.00 34.10 H new ATOM 0 HG2 GLU B 91 19.198 4.159 -3.411 1.00 74.02 H new ATOM 0 HG3 GLU B 91 17.665 4.377 -2.590 1.00 74.02 H new ATOM 1553 N VAL B 92 15.582 4.337 -7.190 1.00 33.53 N ATOM 1554 CA VAL B 92 14.855 3.836 -8.345 1.00 2.41 C ATOM 1555 C VAL B 92 15.206 4.676 -9.556 1.00 32.32 C ATOM 1556 O VAL B 92 15.952 5.666 -9.437 1.00 23.34 O ATOM 1557 CB VAL B 92 13.303 3.840 -8.139 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.895 2.995 -6.944 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.751 5.259 -8.016 1.00 4.10 C ATOM 0 H VAL B 92 15.367 5.304 -6.946 1.00 33.53 H new ATOM 0 HA VAL B 92 15.154 2.798 -8.491 1.00 2.41 H new ATOM 0 HB VAL B 92 12.865 3.391 -9.030 1.00 63.23 H new ATOM 0 HG11 VAL B 92 11.811 3.022 -6.833 1.00 12.32 H new ATOM 0 HG12 VAL B 92 13.219 1.966 -7.099 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.362 3.390 -6.042 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.671 5.218 -7.874 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.211 5.755 -7.161 1.00 4.10 H new ATOM 0 HG23 VAL B 92 12.977 5.817 -8.925 1.00 4.10 H new ATOM 1569 N SER B 93 14.734 4.285 -10.699 1.00 35.42 N ATOM 1570 CA SER B 93 14.957 5.037 -11.896 1.00 0.14 C ATOM 1571 C SER B 93 13.989 6.238 -11.947 1.00 54.44 C ATOM 1572 O SER B 93 12.901 6.200 -11.358 1.00 24.14 O ATOM 1573 CB SER B 93 14.781 4.116 -13.101 1.00 23.34 C ATOM 1574 OG SER B 93 15.622 2.965 -12.966 1.00 1.11 O ATOM 0 H SER B 93 14.184 3.436 -10.829 1.00 35.42 H new ATOM 0 HA SER B 93 15.972 5.433 -11.912 1.00 0.14 H new ATOM 0 HB2 SER B 93 13.739 3.807 -13.184 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.028 4.652 -14.017 1.00 23.34 H new ATOM 0 HG SER B 93 15.502 2.379 -13.742 1.00 1.11 H new ATOM 1580 N ARG B 94 14.397 7.297 -12.618 1.00 33.45 N ATOM 1581 CA ARG B 94 13.603 8.524 -12.738 1.00 2.32 C ATOM 1582 C ARG B 94 12.289 8.235 -13.433 1.00 72.10 C ATOM 1583 O ARG B 94 11.242 8.781 -13.084 1.00 61.25 O ATOM 1584 CB ARG B 94 14.390 9.574 -13.506 1.00 73.14 C ATOM 1585 CG ARG B 94 15.696 9.944 -12.846 1.00 54.32 C ATOM 1586 CD ARG B 94 16.506 10.876 -13.707 1.00 53.33 C ATOM 1587 NE ARG B 94 17.768 11.245 -13.067 1.00 21.14 N ATOM 1588 CZ ARG B 94 18.698 12.044 -13.610 1.00 13.43 C ATOM 1589 NH1 ARG B 94 18.580 12.456 -14.868 1.00 20.31 N ATOM 1590 NH2 ARG B 94 19.768 12.387 -12.903 1.00 44.34 N ATOM 0 H ARG B 94 15.294 7.340 -13.102 1.00 33.45 H new ATOM 0 HA ARG B 94 13.387 8.905 -11.740 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.591 9.204 -14.511 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.779 10.470 -13.613 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.497 10.416 -11.884 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.272 9.041 -12.645 1.00 54.32 H new ATOM 0 HD2 ARG B 94 16.710 10.400 -14.666 1.00 53.33 H new ATOM 0 HD3 ARG B 94 15.927 11.776 -13.914 1.00 53.33 H new ATOM 0 HE ARG B 94 17.955 10.866 -12.138 1.00 21.14 H new ATOM 0 HH11 ARG B 94 17.778 12.165 -15.427 1.00 20.31 H new ATOM 0 HH12 ARG B 94 19.291 13.064 -15.274 1.00 20.31 H new ATOM 0 HH21 ARG B 94 19.881 12.043 -11.949 1.00 44.34 H new ATOM 0 HH22 ARG B 94 20.477 12.995 -13.313 1.00 44.34 H new ATOM 1604 N GLN B 95 12.362 7.344 -14.385 1.00 63.51 N ATOM 1605 CA GLN B 95 11.221 6.907 -15.143 1.00 73.10 C ATOM 1606 C GLN B 95 10.223 6.157 -14.248 1.00 21.43 C ATOM 1607 O GLN B 95 9.021 6.200 -14.489 1.00 63.01 O ATOM 1608 CB GLN B 95 11.685 6.058 -16.319 1.00 14.11 C ATOM 1609 CG GLN B 95 10.594 5.581 -17.242 1.00 34.33 C ATOM 1610 CD GLN B 95 11.161 4.915 -18.462 1.00 13.43 C ATOM 1611 OE1 GLN B 95 11.399 3.705 -18.477 1.00 35.21 O ATOM 1612 NE2 GLN B 95 11.372 5.681 -19.489 1.00 24.53 N ATOM 0 H GLN B 95 13.234 6.893 -14.661 1.00 63.51 H new ATOM 0 HA GLN B 95 10.695 7.776 -15.539 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.403 6.635 -16.901 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.215 5.188 -15.931 1.00 14.11 H new ATOM 0 HG2 GLN B 95 9.947 4.882 -16.712 1.00 34.33 H new ATOM 0 HG3 GLN B 95 9.974 6.426 -17.542 1.00 34.33 H new ATOM 0 HE21 GLN B 95 11.161 6.677 -19.434 1.00 24.53 H new ATOM 0 HE22 GLN B 95 11.749 5.286 -20.351 1.00 24.53 H new ATOM 1621 N THR B 96 10.729 5.521 -13.193 1.00 21.22 N ATOM 1622 CA THR B 96 9.902 4.767 -12.276 1.00 0.23 C ATOM 1623 C THR B 96 8.926 5.701 -11.536 1.00 24.14 C ATOM 1624 O THR B 96 7.717 5.499 -11.577 1.00 5.35 O ATOM 1625 CB THR B 96 10.804 4.033 -11.251 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.779 3.247 -11.957 1.00 40.00 O ATOM 1627 CG2 THR B 96 9.996 3.132 -10.322 1.00 50.43 C ATOM 0 H THR B 96 11.721 5.519 -12.957 1.00 21.22 H new ATOM 0 HA THR B 96 9.322 4.038 -12.842 1.00 0.23 H new ATOM 0 HB THR B 96 11.295 4.786 -10.635 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.353 2.782 -11.313 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.667 2.637 -9.620 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.273 3.733 -9.770 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.469 2.381 -10.911 1.00 50.43 H new ATOM 1635 N ILE B 97 9.455 6.764 -10.938 1.00 3.24 N ATOM 1636 CA ILE B 97 8.632 7.703 -10.178 1.00 15.23 C ATOM 1637 C ILE B 97 7.720 8.493 -11.130 1.00 54.43 C ATOM 1638 O ILE B 97 6.537 8.707 -10.844 1.00 12.25 O ATOM 1639 CB ILE B 97 9.532 8.621 -9.233 1.00 61.33 C ATOM 1640 CG1 ILE B 97 8.726 9.588 -8.304 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.597 9.377 -10.010 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.114 10.820 -8.966 1.00 15.23 C ATOM 0 H ILE B 97 10.448 6.998 -10.964 1.00 3.24 H new ATOM 0 HA ILE B 97 7.975 7.153 -9.505 1.00 15.23 H new ATOM 0 HB ILE B 97 10.027 7.915 -8.566 1.00 61.33 H new ATOM 0 HG12 ILE B 97 7.923 9.019 -7.835 1.00 13.20 H new ATOM 0 HG13 ILE B 97 9.388 9.924 -7.506 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.184 9.988 -9.324 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.252 8.667 -10.514 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.120 10.020 -10.750 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.582 11.409 -8.218 1.00 15.23 H new ATOM 0 HD12 ILE B 97 8.905 11.425 -9.409 1.00 15.23 H new ATOM 0 HD13 ILE B 97 7.417 10.507 -9.744 1.00 15.23 H new ATOM 1654 N ASN B 98 8.253 8.835 -12.287 1.00 30.33 N ATOM 1655 CA ASN B 98 7.519 9.566 -13.316 1.00 60.42 C ATOM 1656 C ASN B 98 6.354 8.708 -13.853 1.00 3.24 C ATOM 1657 O ASN B 98 5.271 9.214 -14.198 1.00 13.11 O ATOM 1658 CB ASN B 98 8.484 9.989 -14.433 1.00 64.50 C ATOM 1659 CG ASN B 98 7.827 10.759 -15.557 1.00 24.43 C ATOM 1660 OD1 ASN B 98 7.403 10.179 -16.542 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.748 12.058 -15.423 1.00 74.02 N ATOM 0 H ASN B 98 9.214 8.614 -12.547 1.00 30.33 H new ATOM 0 HA ASN B 98 7.084 10.469 -12.888 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.276 10.601 -14.002 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.958 9.098 -14.846 1.00 64.50 H new ATOM 0 HD21 ASN B 98 7.320 12.621 -16.158 1.00 74.02 H new ATOM 0 HD22 ASN B 98 8.114 12.507 -14.584 1.00 74.02 H new ATOM 1668 N GLY B 99 6.596 7.409 -13.953 1.00 32.15 N ATOM 1669 CA GLY B 99 5.569 6.474 -14.352 1.00 62.40 C ATOM 1670 C GLY B 99 4.463 6.386 -13.317 1.00 51.22 C ATOM 1671 O GLY B 99 3.273 6.283 -13.667 1.00 73.51 O ATOM 0 H GLY B 99 7.502 6.982 -13.761 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.149 6.781 -15.310 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.010 5.488 -14.499 1.00 62.40 H new ATOM 1675 N ILE B 100 4.845 6.446 -12.038 1.00 55.13 N ATOM 1676 CA ILE B 100 3.882 6.399 -10.940 1.00 14.23 C ATOM 1677 C ILE B 100 2.989 7.646 -10.971 1.00 12.31 C ATOM 1678 O ILE B 100 1.794 7.560 -10.705 1.00 62.21 O ATOM 1679 CB ILE B 100 4.567 6.267 -9.536 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.507 5.047 -9.484 1.00 21.05 C ATOM 1681 CG2 ILE B 100 3.522 6.159 -8.423 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.833 3.712 -9.746 1.00 51.13 C ATOM 0 H ILE B 100 5.817 6.527 -11.740 1.00 55.13 H new ATOM 0 HA ILE B 100 3.277 5.504 -11.086 1.00 14.23 H new ATOM 0 HB ILE B 100 5.158 7.169 -9.380 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.302 5.187 -10.217 1.00 21.05 H new ATOM 0 HG13 ILE B 100 5.981 5.013 -8.503 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.024 6.068 -7.460 1.00 62.42 H new ATOM 0 HG22 ILE B 100 2.896 7.052 -8.424 1.00 62.42 H new ATOM 0 HG23 ILE B 100 2.900 5.280 -8.592 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.573 2.913 -9.689 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.058 3.543 -8.999 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.384 3.720 -10.739 1.00 51.13 H new ATOM 1694 N GLU B 101 3.571 8.798 -11.338 1.00 42.35 N ATOM 1695 CA GLU B 101 2.802 10.050 -11.477 1.00 14.13 C ATOM 1696 C GLU B 101 1.682 9.909 -12.501 1.00 62.12 C ATOM 1697 O GLU B 101 0.636 10.544 -12.382 1.00 33.44 O ATOM 1698 CB GLU B 101 3.679 11.216 -11.908 1.00 72.22 C ATOM 1699 CG GLU B 101 4.768 11.611 -10.948 1.00 22.14 C ATOM 1700 CD GLU B 101 5.422 12.891 -11.387 1.00 2.35 C ATOM 1701 OE1 GLU B 101 6.357 12.861 -12.205 1.00 14.03 O ATOM 1702 OE2 GLU B 101 4.973 13.979 -10.943 1.00 12.42 O ATOM 0 H GLU B 101 4.566 8.891 -11.543 1.00 42.35 H new ATOM 0 HA GLU B 101 2.386 10.250 -10.490 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.138 10.966 -12.864 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.040 12.082 -12.078 1.00 72.22 H new ATOM 0 HG2 GLU B 101 4.352 11.733 -9.948 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.513 10.818 -10.888 1.00 22.14 H new ATOM 1709 N LYS B 102 1.880 9.055 -13.480 1.00 72.42 N ATOM 1710 CA LYS B 102 0.885 8.846 -14.507 1.00 3.42 C ATOM 1711 C LYS B 102 -0.051 7.706 -14.151 1.00 64.33 C ATOM 1712 O LYS B 102 -0.882 7.320 -14.964 1.00 74.05 O ATOM 1713 CB LYS B 102 1.530 8.587 -15.868 1.00 71.34 C ATOM 1714 CG LYS B 102 2.279 9.778 -16.440 1.00 73.40 C ATOM 1715 CD LYS B 102 2.806 9.479 -17.837 1.00 3.32 C ATOM 1716 CE LYS B 102 3.889 8.405 -17.830 1.00 11.20 C ATOM 1717 NZ LYS B 102 5.100 8.846 -17.106 1.00 30.21 N ATOM 0 H LYS B 102 2.724 8.492 -13.586 1.00 72.42 H new ATOM 0 HA LYS B 102 0.301 9.764 -14.572 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.220 7.748 -15.777 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.755 8.287 -16.573 1.00 71.34 H new ATOM 0 HG2 LYS B 102 1.618 10.644 -16.476 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.109 10.038 -15.783 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.981 9.156 -18.472 1.00 3.32 H new ATOM 0 HD3 LYS B 102 3.207 10.393 -18.275 1.00 3.32 H new ATOM 0 HE2 LYS B 102 3.499 7.499 -17.366 1.00 11.20 H new ATOM 0 HE3 LYS B 102 4.153 8.149 -18.856 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 5.873 8.173 -17.280 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 5.381 9.790 -17.441 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 4.899 8.886 -16.086 1.00 30.21 H new ATOM 1731 N ASN B 103 0.086 7.186 -12.911 1.00 21.34 N ATOM 1732 CA ASN B 103 -0.729 6.061 -12.358 1.00 41.10 C ATOM 1733 C ASN B 103 -0.855 4.894 -13.319 1.00 30.41 C ATOM 1734 O ASN B 103 -1.832 4.140 -13.284 1.00 2.25 O ATOM 1735 CB ASN B 103 -2.126 6.524 -11.809 1.00 42.23 C ATOM 1736 CG ASN B 103 -3.080 7.138 -12.840 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.060 8.356 -13.073 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.930 6.331 -13.422 1.00 15.22 N ATOM 0 H ASN B 103 0.777 7.537 -12.248 1.00 21.34 H new ATOM 0 HA ASN B 103 -0.167 5.696 -11.498 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -2.618 5.665 -11.353 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.960 7.254 -11.017 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -4.605 6.699 -14.092 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -3.917 5.334 -13.206 1.00 15.22 H new ATOM 1745 N LYS B 104 0.183 4.676 -14.092 1.00 23.05 N ATOM 1746 CA LYS B 104 0.189 3.615 -15.043 1.00 71.21 C ATOM 1747 C LYS B 104 1.611 3.124 -15.203 1.00 63.12 C ATOM 1748 O LYS B 104 2.320 3.500 -16.132 1.00 54.40 O ATOM 1749 CB LYS B 104 -0.416 4.019 -16.394 1.00 54.41 C ATOM 1750 CG LYS B 104 -0.613 2.834 -17.319 1.00 51.33 C ATOM 1751 CD LYS B 104 -1.101 3.241 -18.688 1.00 14.11 C ATOM 1752 CE LYS B 104 -1.274 2.021 -19.580 1.00 53.22 C ATOM 1753 NZ LYS B 104 -0.015 1.237 -19.710 1.00 30.43 N ATOM 0 H LYS B 104 1.038 5.232 -14.072 1.00 23.05 H new ATOM 0 HA LYS B 104 -0.447 2.813 -14.669 1.00 71.21 H new ATOM 0 HB2 LYS B 104 -1.375 4.509 -16.227 1.00 54.41 H new ATOM 0 HB3 LYS B 104 0.235 4.748 -16.876 1.00 54.41 H new ATOM 0 HG2 LYS B 104 0.329 2.295 -17.419 1.00 51.33 H new ATOM 0 HG3 LYS B 104 -1.329 2.144 -16.872 1.00 51.33 H new ATOM 0 HD2 LYS B 104 -2.050 3.771 -18.599 1.00 14.11 H new ATOM 0 HD3 LYS B 104 -0.391 3.932 -19.142 1.00 14.11 H new ATOM 0 HE2 LYS B 104 -2.057 1.382 -19.172 1.00 53.22 H new ATOM 0 HE3 LYS B 104 -1.605 2.340 -20.568 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 -0.086 0.600 -20.529 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 0.786 1.886 -19.845 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 0.135 0.676 -18.847 1.00 30.43 H new ATOM 1767 N TYR B 105 2.038 2.391 -14.226 1.00 74.05 N ATOM 1768 CA TYR B 105 3.374 1.809 -14.164 1.00 12.53 C ATOM 1769 C TYR B 105 3.322 0.601 -13.220 1.00 13.41 C ATOM 1770 O TYR B 105 4.252 -0.188 -13.145 1.00 2.12 O ATOM 1771 CB TYR B 105 4.370 2.872 -13.622 1.00 73.50 C ATOM 1772 CG TYR B 105 5.833 2.450 -13.577 1.00 32.23 C ATOM 1773 CD1 TYR B 105 6.661 2.634 -14.671 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.381 1.877 -12.436 1.00 33.20 C ATOM 1775 CE1 TYR B 105 7.988 2.256 -14.635 1.00 3.04 C ATOM 1776 CE2 TYR B 105 7.700 1.497 -12.393 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.501 1.688 -13.495 1.00 33.11 C ATOM 1778 OH TYR B 105 9.827 1.303 -13.449 1.00 24.32 O ATOM 0 H TYR B 105 1.462 2.164 -13.416 1.00 74.05 H new ATOM 0 HA TYR B 105 3.706 1.492 -15.153 1.00 12.53 H new ATOM 0 HB2 TYR B 105 4.289 3.766 -14.240 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.061 3.151 -12.615 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.261 3.081 -15.569 1.00 62.14 H new ATOM 0 HD2 TYR B 105 5.758 1.728 -11.567 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.619 2.406 -15.498 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.107 1.050 -11.498 1.00 1.32 H new ATOM 0 HH TYR B 105 10.344 1.970 -12.950 1.00 24.32 H new ATOM 1788 N ASN B 106 2.172 0.450 -12.565 1.00 43.42 N ATOM 1789 CA ASN B 106 1.928 -0.539 -11.514 1.00 41.25 C ATOM 1790 C ASN B 106 2.827 -0.337 -10.295 1.00 40.41 C ATOM 1791 O ASN B 106 3.972 -0.795 -10.247 1.00 21.44 O ATOM 1792 CB ASN B 106 1.939 -1.991 -12.020 1.00 44.44 C ATOM 1793 CG ASN B 106 1.671 -3.017 -10.917 1.00 2.30 C ATOM 1794 OD1 ASN B 106 0.518 -3.298 -10.580 1.00 64.13 O ATOM 1795 ND2 ASN B 106 2.709 -3.608 -10.376 1.00 53.45 N ATOM 0 H ASN B 106 1.357 1.032 -12.757 1.00 43.42 H new ATOM 0 HA ASN B 106 0.907 -0.356 -11.180 1.00 41.25 H new ATOM 0 HB2 ASN B 106 1.187 -2.102 -12.801 1.00 44.44 H new ATOM 0 HB3 ASN B 106 2.906 -2.202 -12.476 1.00 44.44 H new ATOM 0 HD21 ASN B 106 2.574 -4.319 -9.658 1.00 53.45 H new ATOM 0 HD22 ASN B 106 3.652 -3.356 -10.674 1.00 53.45 H new ATOM 1802 N PRO B 107 2.330 0.392 -9.306 1.00 2.41 N ATOM 1803 CA PRO B 107 3.051 0.638 -8.086 1.00 33.40 C ATOM 1804 C PRO B 107 2.847 -0.490 -7.079 1.00 61.13 C ATOM 1805 O PRO B 107 1.715 -0.784 -6.678 1.00 2.50 O ATOM 1806 CB PRO B 107 2.428 1.948 -7.548 1.00 23.24 C ATOM 1807 CG PRO B 107 1.300 2.289 -8.486 1.00 52.51 C ATOM 1808 CD PRO B 107 1.026 1.056 -9.295 1.00 12.41 C ATOM 0 HA PRO B 107 4.126 0.704 -8.251 1.00 33.40 H new ATOM 0 HB2 PRO B 107 2.062 1.816 -6.530 1.00 23.24 H new ATOM 0 HB3 PRO B 107 3.167 2.749 -7.520 1.00 23.24 H new ATOM 0 HG2 PRO B 107 0.413 2.593 -7.930 1.00 52.51 H new ATOM 0 HG3 PRO B 107 1.573 3.123 -9.132 1.00 52.51 H new ATOM 0 HD2 PRO B 107 0.257 0.433 -8.839 1.00 12.41 H new ATOM 0 HD3 PRO B 107 0.685 1.298 -10.302 1.00 12.41 H new ATOM 1816 N SER B 108 3.907 -1.156 -6.735 1.00 32.11 N ATOM 1817 CA SER B 108 3.863 -2.138 -5.691 1.00 31.54 C ATOM 1818 C SER B 108 4.099 -1.421 -4.353 1.00 35.33 C ATOM 1819 O SER B 108 4.525 -0.248 -4.357 1.00 31.14 O ATOM 1820 CB SER B 108 4.896 -3.224 -5.968 1.00 33.24 C ATOM 1821 OG SER B 108 4.623 -3.852 -7.224 1.00 63.24 O ATOM 0 H SER B 108 4.823 -1.036 -7.167 1.00 32.11 H new ATOM 0 HA SER B 108 2.893 -2.632 -5.647 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.896 -2.791 -5.979 1.00 33.24 H new ATOM 0 HB3 SER B 108 4.878 -3.966 -5.170 1.00 33.24 H new ATOM 0 HG SER B 108 5.292 -4.547 -7.395 1.00 63.24 H new ATOM 1827 N LEU B 109 3.839 -2.088 -3.232 1.00 41.22 N ATOM 1828 CA LEU B 109 3.911 -1.436 -1.924 1.00 3.42 C ATOM 1829 C LEU B 109 5.294 -0.872 -1.625 1.00 71.35 C ATOM 1830 O LEU B 109 5.383 0.223 -1.140 1.00 31.14 O ATOM 1831 CB LEU B 109 3.360 -2.350 -0.782 1.00 34.44 C ATOM 1832 CG LEU B 109 3.234 -1.753 0.667 1.00 23.40 C ATOM 1833 CD1 LEU B 109 4.588 -1.654 1.363 1.00 22.03 C ATOM 1834 CD2 LEU B 109 2.522 -0.370 0.661 1.00 44.53 C ATOM 0 H LEU B 109 3.578 -3.074 -3.200 1.00 41.22 H new ATOM 0 HA LEU B 109 3.248 -0.572 -1.967 1.00 3.42 H new ATOM 0 HB2 LEU B 109 2.372 -2.697 -1.084 1.00 34.44 H new ATOM 0 HB3 LEU B 109 4.002 -3.229 -0.723 1.00 34.44 H new ATOM 0 HG LEU B 109 2.616 -2.448 1.235 1.00 23.40 H new ATOM 0 HD11 LEU B 109 4.454 -1.237 2.361 1.00 22.03 H new ATOM 0 HD12 LEU B 109 5.030 -2.647 1.441 1.00 22.03 H new ATOM 0 HD13 LEU B 109 5.248 -1.007 0.785 1.00 22.03 H new ATOM 0 HD21 LEU B 109 2.455 0.009 1.681 1.00 44.53 H new ATOM 0 HD22 LEU B 109 3.092 0.330 0.051 1.00 44.53 H new ATOM 0 HD23 LEU B 109 1.519 -0.479 0.247 1.00 44.53 H new ATOM 1846 N GLN B 110 6.356 -1.604 -1.941 1.00 2.30 N ATOM 1847 CA GLN B 110 7.730 -1.135 -1.685 1.00 25.44 C ATOM 1848 C GLN B 110 7.974 0.222 -2.363 1.00 14.52 C ATOM 1849 O GLN B 110 8.557 1.130 -1.773 1.00 12.34 O ATOM 1850 CB GLN B 110 8.730 -2.179 -2.196 1.00 43.20 C ATOM 1851 CG GLN B 110 10.194 -1.898 -1.872 1.00 23.12 C ATOM 1852 CD GLN B 110 10.458 -1.805 -0.380 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.427 -0.729 0.207 1.00 21.35 O ATOM 1854 NE2 GLN B 110 10.665 -2.931 0.243 1.00 45.30 N ATOM 0 H GLN B 110 6.301 -2.525 -2.375 1.00 2.30 H new ATOM 0 HA GLN B 110 7.867 -1.004 -0.612 1.00 25.44 H new ATOM 0 HB2 GLN B 110 8.463 -3.149 -1.777 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.624 -2.259 -3.278 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.814 -2.687 -2.298 1.00 23.12 H new ATOM 0 HG3 GLN B 110 10.494 -0.965 -2.349 1.00 23.12 H new ATOM 0 HE21 GLN B 110 10.684 -3.807 -0.279 1.00 45.30 H new ATOM 0 HE22 GLN B 110 10.808 -2.936 1.253 1.00 45.30 H new ATOM 1863 N LEU B 111 7.485 0.349 -3.588 1.00 33.52 N ATOM 1864 CA LEU B 111 7.592 1.591 -4.345 1.00 33.42 C ATOM 1865 C LEU B 111 6.806 2.696 -3.649 1.00 12.12 C ATOM 1866 O LEU B 111 7.324 3.785 -3.415 1.00 53.21 O ATOM 1867 CB LEU B 111 7.090 1.433 -5.806 1.00 75.22 C ATOM 1868 CG LEU B 111 7.925 0.564 -6.781 1.00 12.11 C ATOM 1869 CD1 LEU B 111 7.929 -0.911 -6.396 1.00 72.44 C ATOM 1870 CD2 LEU B 111 7.418 0.740 -8.204 1.00 1.23 C ATOM 0 H LEU B 111 7.005 -0.401 -4.085 1.00 33.52 H new ATOM 0 HA LEU B 111 8.649 1.856 -4.385 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.084 1.016 -5.768 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.006 2.430 -6.238 1.00 75.22 H new ATOM 0 HG LEU B 111 8.957 0.910 -6.717 1.00 12.11 H new ATOM 0 HD11 LEU B 111 8.528 -1.472 -7.113 1.00 72.44 H new ATOM 0 HD12 LEU B 111 8.354 -1.026 -5.399 1.00 72.44 H new ATOM 0 HD13 LEU B 111 6.907 -1.291 -6.401 1.00 72.44 H new ATOM 0 HD21 LEU B 111 8.012 0.125 -8.880 1.00 1.23 H new ATOM 0 HD22 LEU B 111 6.373 0.434 -8.258 1.00 1.23 H new ATOM 0 HD23 LEU B 111 7.505 1.787 -8.494 1.00 1.23 H new ATOM 1882 N ALA B 112 5.571 2.383 -3.286 1.00 72.35 N ATOM 1883 CA ALA B 112 4.689 3.326 -2.612 1.00 41.10 C ATOM 1884 C ALA B 112 5.250 3.729 -1.250 1.00 44.34 C ATOM 1885 O ALA B 112 5.207 4.901 -0.877 1.00 24.52 O ATOM 1886 CB ALA B 112 3.299 2.725 -2.457 1.00 4.33 C ATOM 0 H ALA B 112 5.151 1.468 -3.450 1.00 72.35 H new ATOM 0 HA ALA B 112 4.620 4.225 -3.225 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.648 3.439 -1.952 1.00 4.33 H new ATOM 0 HB2 ALA B 112 2.890 2.495 -3.441 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.362 1.811 -1.867 1.00 4.33 H new ATOM 1892 N LEU B 113 5.810 2.757 -0.544 1.00 33.43 N ATOM 1893 CA LEU B 113 6.387 2.946 0.772 1.00 23.45 C ATOM 1894 C LEU B 113 7.530 3.913 0.743 1.00 50.21 C ATOM 1895 O LEU B 113 7.571 4.815 1.541 1.00 21.23 O ATOM 1896 CB LEU B 113 6.870 1.587 1.326 1.00 32.41 C ATOM 1897 CG LEU B 113 7.950 1.605 2.431 1.00 61.44 C ATOM 1898 CD1 LEU B 113 7.501 2.350 3.678 1.00 11.43 C ATOM 1899 CD2 LEU B 113 8.374 0.190 2.768 1.00 70.53 C ATOM 0 H LEU B 113 5.875 1.796 -0.880 1.00 33.43 H new ATOM 0 HA LEU B 113 5.615 3.361 1.420 1.00 23.45 H new ATOM 0 HB2 LEU B 113 6.001 1.055 1.715 1.00 32.41 H new ATOM 0 HB3 LEU B 113 7.254 1.002 0.491 1.00 32.41 H new ATOM 0 HG LEU B 113 8.807 2.152 2.038 1.00 61.44 H new ATOM 0 HD11 LEU B 113 8.299 2.331 4.420 1.00 11.43 H new ATOM 0 HD12 LEU B 113 7.270 3.384 3.421 1.00 11.43 H new ATOM 0 HD13 LEU B 113 6.612 1.870 4.088 1.00 11.43 H new ATOM 0 HD21 LEU B 113 9.135 0.214 3.548 1.00 70.53 H new ATOM 0 HD22 LEU B 113 7.511 -0.374 3.121 1.00 70.53 H new ATOM 0 HD23 LEU B 113 8.781 -0.289 1.878 1.00 70.53 H new ATOM 1911 N LYS B 114 8.431 3.766 -0.192 1.00 52.33 N ATOM 1912 CA LYS B 114 9.562 4.656 -0.216 1.00 54.10 C ATOM 1913 C LYS B 114 9.179 6.076 -0.567 1.00 25.41 C ATOM 1914 O LYS B 114 9.695 7.018 0.029 1.00 42.33 O ATOM 1915 CB LYS B 114 10.739 4.111 -1.022 1.00 63.32 C ATOM 1916 CG LYS B 114 10.407 3.582 -2.405 1.00 23.52 C ATOM 1917 CD LYS B 114 11.637 2.971 -3.050 1.00 64.34 C ATOM 1918 CE LYS B 114 12.274 1.917 -2.146 1.00 3.10 C ATOM 1919 NZ LYS B 114 13.527 1.390 -2.704 1.00 33.32 N ATOM 0 H LYS B 114 8.408 3.060 -0.928 1.00 52.33 H new ATOM 0 HA LYS B 114 9.932 4.706 0.808 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.481 4.903 -1.125 1.00 63.32 H new ATOM 0 HB3 LYS B 114 11.206 3.309 -0.450 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.617 2.835 -2.335 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.026 4.391 -3.028 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.363 2.518 -4.003 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.363 3.754 -3.266 1.00 64.34 H new ATOM 0 HE2 LYS B 114 12.470 2.352 -1.166 1.00 3.10 H new ATOM 0 HE3 LYS B 114 11.572 1.097 -1.996 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 14.140 1.061 -1.931 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 13.316 0.595 -3.341 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 14.013 2.140 -3.236 1.00 33.32 H new ATOM 1933 N ILE B 115 8.236 6.233 -1.474 1.00 54.11 N ATOM 1934 CA ILE B 115 7.746 7.560 -1.814 1.00 1.24 C ATOM 1935 C ILE B 115 7.082 8.184 -0.571 1.00 2.41 C ATOM 1936 O ILE B 115 7.338 9.338 -0.223 1.00 64.12 O ATOM 1937 CB ILE B 115 6.739 7.522 -2.996 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.385 6.844 -4.216 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.302 8.942 -3.350 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.466 6.673 -5.411 1.00 35.31 C ATOM 0 H ILE B 115 7.795 5.469 -1.986 1.00 54.11 H new ATOM 0 HA ILE B 115 8.593 8.167 -2.133 1.00 1.24 H new ATOM 0 HB ILE B 115 5.862 6.946 -2.700 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.251 7.430 -4.523 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.754 5.863 -3.916 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.596 8.909 -4.180 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.824 9.402 -2.485 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.174 9.530 -3.638 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.009 6.186 -6.221 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.611 6.059 -5.128 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.117 7.650 -5.744 1.00 35.31 H new ATOM 1952 N ALA B 116 6.308 7.366 0.126 1.00 44.20 N ATOM 1953 CA ALA B 116 5.605 7.769 1.339 1.00 11.21 C ATOM 1954 C ALA B 116 6.572 8.133 2.439 1.00 70.10 C ATOM 1955 O ALA B 116 6.366 9.087 3.166 1.00 34.45 O ATOM 1956 CB ALA B 116 4.750 6.626 1.833 1.00 53.40 C ATOM 0 H ALA B 116 6.147 6.393 -0.136 1.00 44.20 H new ATOM 0 HA ALA B 116 4.994 8.638 1.093 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.226 6.929 2.739 1.00 53.40 H new ATOM 0 HB2 ALA B 116 4.024 6.357 1.066 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.383 5.766 2.051 1.00 53.40 H new ATOM 1962 N TYR B 117 7.598 7.340 2.553 1.00 50.04 N ATOM 1963 CA TYR B 117 8.593 7.441 3.584 1.00 11.22 C ATOM 1964 C TYR B 117 9.485 8.682 3.407 1.00 40.54 C ATOM 1965 O TYR B 117 9.633 9.475 4.333 1.00 51.22 O ATOM 1966 CB TYR B 117 9.415 6.151 3.542 1.00 31.54 C ATOM 1967 CG TYR B 117 10.440 5.977 4.610 1.00 42.44 C ATOM 1968 CD1 TYR B 117 11.710 6.451 4.432 1.00 52.31 C ATOM 1969 CD2 TYR B 117 10.140 5.305 5.778 1.00 73.13 C ATOM 1970 CE1 TYR B 117 12.681 6.269 5.393 1.00 14.05 C ATOM 1971 CE2 TYR B 117 11.089 5.119 6.749 1.00 33.41 C ATOM 1972 CZ TYR B 117 12.359 5.600 6.555 1.00 45.04 C ATOM 1973 OH TYR B 117 13.316 5.399 7.523 1.00 12.24 O ATOM 0 H TYR B 117 7.772 6.573 1.904 1.00 50.04 H new ATOM 0 HA TYR B 117 8.114 7.562 4.556 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.727 5.307 3.590 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.917 6.099 2.576 1.00 31.54 H new ATOM 0 HD1 TYR B 117 11.957 6.978 3.522 1.00 52.31 H new ATOM 0 HD2 TYR B 117 9.142 4.920 5.929 1.00 73.13 H new ATOM 0 HE1 TYR B 117 13.681 6.646 5.238 1.00 14.05 H new ATOM 0 HE2 TYR B 117 10.839 4.597 7.661 1.00 33.41 H new ATOM 0 HH TYR B 117 12.922 4.912 8.277 1.00 12.24 H new ATOM 1983 N TYR B 118 10.057 8.863 2.219 1.00 52.41 N ATOM 1984 CA TYR B 118 10.970 9.995 1.982 1.00 3.45 C ATOM 1985 C TYR B 118 10.247 11.342 1.954 1.00 25.43 C ATOM 1986 O TYR B 118 10.821 12.373 2.312 1.00 40.30 O ATOM 1987 CB TYR B 118 11.826 9.791 0.721 1.00 51.32 C ATOM 1988 CG TYR B 118 12.883 8.698 0.845 1.00 74.11 C ATOM 1989 CD1 TYR B 118 12.584 7.375 0.571 1.00 1.22 C ATOM 1990 CD2 TYR B 118 14.183 9.001 1.226 1.00 25.42 C ATOM 1991 CE1 TYR B 118 13.532 6.384 0.669 1.00 0.00 C ATOM 1992 CE2 TYR B 118 15.146 8.013 1.325 1.00 72.42 C ATOM 1993 CZ TYR B 118 14.810 6.703 1.044 1.00 75.33 C ATOM 1994 OH TYR B 118 15.764 5.709 1.128 1.00 10.50 O ATOM 0 H TYR B 118 9.912 8.255 1.413 1.00 52.41 H new ATOM 0 HA TYR B 118 11.646 10.020 2.837 1.00 3.45 H new ATOM 0 HB2 TYR B 118 11.168 9.550 -0.114 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.320 10.731 0.477 1.00 51.32 H new ATOM 0 HD1 TYR B 118 11.579 7.114 0.272 1.00 1.22 H new ATOM 0 HD2 TYR B 118 14.447 10.024 1.449 1.00 25.42 H new ATOM 0 HE1 TYR B 118 13.270 5.359 0.451 1.00 0.00 H new ATOM 0 HE2 TYR B 118 16.154 8.264 1.620 1.00 72.42 H new ATOM 0 HH TYR B 118 16.229 5.629 0.269 1.00 10.50 H new ATOM 2004 N LEU B 119 8.997 11.329 1.547 1.00 43.52 N ATOM 2005 CA LEU B 119 8.197 12.551 1.541 1.00 35.04 C ATOM 2006 C LEU B 119 7.492 12.719 2.877 1.00 52.42 C ATOM 2007 O LEU B 119 6.988 13.796 3.193 1.00 34.31 O ATOM 2008 CB LEU B 119 7.161 12.546 0.403 1.00 34.25 C ATOM 2009 CG LEU B 119 7.714 12.534 -1.028 1.00 75.05 C ATOM 2010 CD1 LEU B 119 6.580 12.444 -2.034 1.00 30.33 C ATOM 2011 CD2 LEU B 119 8.551 13.772 -1.288 1.00 73.24 C ATOM 0 H LEU B 119 8.508 10.497 1.217 1.00 43.52 H new ATOM 0 HA LEU B 119 8.874 13.389 1.376 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.521 11.673 0.528 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.526 13.425 0.516 1.00 34.25 H new ATOM 0 HG LEU B 119 8.351 11.657 -1.141 1.00 75.05 H new ATOM 0 HD11 LEU B 119 6.989 12.437 -3.044 1.00 30.33 H new ATOM 0 HD12 LEU B 119 6.015 11.527 -1.865 1.00 30.33 H new ATOM 0 HD13 LEU B 119 5.920 13.304 -1.916 1.00 30.33 H new ATOM 0 HD21 LEU B 119 8.934 13.745 -2.308 1.00 73.24 H new ATOM 0 HD22 LEU B 119 7.936 14.662 -1.155 1.00 73.24 H new ATOM 0 HD23 LEU B 119 9.386 13.801 -0.588 1.00 73.24 H new ATOM 2022 N ASN B 120 7.522 11.649 3.661 1.00 23.44 N ATOM 2023 CA ASN B 120 6.809 11.501 4.934 1.00 34.54 C ATOM 2024 C ASN B 120 5.379 11.966 4.820 1.00 23.31 C ATOM 2025 O ASN B 120 5.022 13.081 5.199 1.00 53.04 O ATOM 2026 CB ASN B 120 7.507 12.124 6.147 1.00 0.13 C ATOM 2027 CG ASN B 120 6.774 11.782 7.444 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.158 10.713 7.562 1.00 41.33 O ATOM 2029 ND2 ASN B 120 6.787 12.670 8.395 1.00 61.11 N ATOM 0 H ASN B 120 8.067 10.821 3.421 1.00 23.44 H new ATOM 0 HA ASN B 120 6.817 10.429 5.133 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.535 11.765 6.202 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.553 13.206 6.027 1.00 0.13 H new ATOM 0 HD21 ASN B 120 6.282 12.494 9.264 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.302 13.542 8.272 1.00 61.11 H new ATOM 2036 N THR B 121 4.595 11.157 4.207 1.00 45.02 N ATOM 2037 CA THR B 121 3.219 11.442 3.992 1.00 24.13 C ATOM 2038 C THR B 121 2.441 10.124 4.075 1.00 75.14 C ATOM 2039 O THR B 121 2.913 9.099 3.553 1.00 45.22 O ATOM 2040 CB THR B 121 3.043 12.111 2.600 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.861 13.299 2.539 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.600 12.495 2.350 1.00 53.13 C ATOM 0 H THR B 121 4.896 10.258 3.831 1.00 45.02 H new ATOM 0 HA THR B 121 2.839 12.131 4.747 1.00 24.13 H new ATOM 0 HB THR B 121 3.346 11.394 1.837 1.00 33.24 H new ATOM 0 HG1 THR B 121 3.755 13.724 1.662 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.512 12.960 1.368 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.975 11.603 2.386 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.273 13.199 3.115 1.00 53.13 H new ATOM 2050 N PRO B 122 1.296 10.105 4.807 1.00 2.53 N ATOM 2051 CA PRO B 122 0.454 8.912 4.950 1.00 62.14 C ATOM 2052 C PRO B 122 0.070 8.321 3.596 1.00 22.43 C ATOM 2053 O PRO B 122 -0.233 9.057 2.653 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.796 9.434 5.665 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.333 10.636 6.402 1.00 3.21 C ATOM 2056 CD PRO B 122 0.746 11.253 5.562 1.00 22.03 C ATOM 0 HA PRO B 122 0.967 8.115 5.488 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.584 9.684 4.954 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -1.205 8.686 6.344 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.153 11.337 6.558 1.00 3.21 H new ATOM 0 HG3 PRO B 122 0.047 10.366 7.387 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.348 12.018 4.895 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.509 11.732 6.176 1.00 22.03 H new ATOM 2064 N LEU B 123 0.071 7.002 3.524 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.222 6.265 2.302 1.00 13.13 C ATOM 2066 C LEU B 123 -1.606 6.650 1.803 1.00 71.12 C ATOM 2067 O LEU B 123 -1.798 6.869 0.619 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.162 4.749 2.591 1.00 34.12 C ATOM 2069 CG LEU B 123 0.309 3.827 1.445 1.00 42.20 C ATOM 2070 CD1 LEU B 123 -0.665 3.792 0.280 1.00 35.04 C ATOM 2071 CD2 LEU B 123 1.674 4.268 0.973 1.00 13.21 C ATOM 0 H LEU B 123 0.278 6.402 4.322 1.00 62.42 H new ATOM 0 HA LEU B 123 0.514 6.509 1.536 1.00 13.13 H new ATOM 0 HB2 LEU B 123 0.501 4.594 3.442 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -1.156 4.425 2.898 1.00 34.12 H new ATOM 0 HG LEU B 123 0.359 2.812 1.840 1.00 42.20 H new ATOM 0 HD11 LEU B 123 -0.282 3.128 -0.495 1.00 35.04 H new ATOM 0 HD12 LEU B 123 -1.632 3.426 0.625 1.00 35.04 H new ATOM 0 HD13 LEU B 123 -0.781 4.796 -0.127 1.00 35.04 H new ATOM 0 HD21 LEU B 123 2.007 3.618 0.164 1.00 13.21 H new ATOM 0 HD22 LEU B 123 1.620 5.296 0.614 1.00 13.21 H new ATOM 0 HD23 LEU B 123 2.381 4.210 1.800 1.00 13.21 H new ATOM 2082 N GLU B 124 -2.538 6.777 2.744 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.933 7.170 2.470 1.00 25.13 C ATOM 2084 C GLU B 124 -4.014 8.543 1.790 1.00 23.31 C ATOM 2085 O GLU B 124 -4.943 8.823 1.031 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.731 7.228 3.787 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.711 5.942 4.604 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.528 6.040 5.877 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -4.986 6.468 6.915 1.00 71.30 O ATOM 2090 OE2 GLU B 124 -6.725 5.694 5.863 1.00 53.22 O ATOM 0 H GLU B 124 -2.352 6.610 3.733 1.00 41.15 H new ATOM 0 HA GLU B 124 -4.355 6.422 1.799 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.335 8.037 4.400 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.766 7.480 3.557 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.094 5.124 3.994 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.680 5.695 4.858 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.097 9.420 2.135 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.053 10.737 1.520 1.00 63.41 C ATOM 2099 C ASP B 125 -2.552 10.646 0.084 1.00 42.14 C ATOM 2100 O ASP B 125 -3.101 11.263 -0.817 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.207 11.720 2.336 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.309 13.146 1.815 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.446 13.655 1.672 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.271 13.808 1.613 1.00 14.52 O ATOM 0 H ASP B 125 -2.374 9.251 2.834 1.00 34.01 H new ATOM 0 HA ASP B 125 -4.072 11.125 1.504 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.527 11.693 3.377 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.165 11.402 2.315 1.00 22.41 H new ATOM 2109 N ILE B 126 -1.532 9.825 -0.109 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.877 9.681 -1.407 1.00 73.13 C ATOM 2111 C ILE B 126 -1.766 8.910 -2.391 1.00 51.12 C ATOM 2112 O ILE B 126 -2.035 9.366 -3.514 1.00 44.15 O ATOM 2113 CB ILE B 126 0.515 9.011 -1.296 1.00 50.03 C ATOM 2114 CG1 ILE B 126 1.382 9.774 -0.287 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.194 8.995 -2.663 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.765 9.201 -0.093 1.00 50.54 C ATOM 0 H ILE B 126 -1.133 9.240 0.625 1.00 25.13 H new ATOM 0 HA ILE B 126 -0.721 10.689 -1.791 1.00 73.13 H new ATOM 0 HB ILE B 126 0.391 7.985 -0.951 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.474 10.809 -0.615 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.870 9.789 0.675 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.173 8.522 -2.578 1.00 14.41 H new ATOM 0 HG22 ILE B 126 0.580 8.434 -3.368 1.00 14.41 H new ATOM 0 HG23 ILE B 126 1.315 10.017 -3.021 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.309 9.802 0.636 1.00 50.54 H new ATOM 0 HD12 ILE B 126 2.687 8.175 0.268 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.300 9.212 -1.043 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.214 7.749 -1.969 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.062 6.919 -2.779 1.00 22.52 C ATOM 2130 C PHE B 127 -4.418 6.834 -2.118 1.00 61.31 C ATOM 2131 O PHE B 127 -4.508 6.716 -0.905 1.00 64.35 O ATOM 2132 CB PHE B 127 -2.459 5.488 -2.932 1.00 0.12 C ATOM 2133 CG PHE B 127 -1.163 5.425 -3.695 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -1.163 5.254 -5.069 1.00 71.31 C ATOM 2135 CD2 PHE B 127 0.053 5.522 -3.038 1.00 50.52 C ATOM 2136 CE1 PHE B 127 0.025 5.183 -5.773 1.00 50.13 C ATOM 2137 CE2 PHE B 127 1.242 5.455 -3.736 1.00 53.10 C ATOM 2138 CZ PHE B 127 1.228 5.285 -5.105 1.00 22.32 C ATOM 0 H PHE B 127 -1.998 7.357 -1.052 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.149 7.355 -3.774 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -2.300 5.068 -1.939 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -3.190 4.853 -3.433 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -2.102 5.175 -5.597 1.00 71.31 H new ATOM 0 HD2 PHE B 127 0.071 5.652 -1.966 1.00 50.52 H new ATOM 0 HE1 PHE B 127 0.011 5.048 -6.844 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.182 5.536 -3.211 1.00 53.10 H new ATOM 0 HZ PHE B 127 2.157 5.232 -5.653 1.00 22.32 H new ATOM 2148 N GLN B 128 -5.455 6.875 -2.897 1.00 72.24 N ATOM 2149 CA GLN B 128 -6.780 6.770 -2.362 1.00 2.15 C ATOM 2150 C GLN B 128 -7.465 5.555 -2.922 1.00 41.21 C ATOM 2151 O GLN B 128 -7.563 5.381 -4.144 1.00 54.12 O ATOM 2152 CB GLN B 128 -7.606 8.031 -2.646 1.00 43.12 C ATOM 2153 CG GLN B 128 -9.021 7.962 -2.083 1.00 54.21 C ATOM 2154 CD GLN B 128 -9.844 9.193 -2.364 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -10.547 9.193 -3.465 1.00 51.34 O flip ATOM 2156 NE2 GLN B 128 -9.851 10.132 -1.586 1.00 41.41 N flip ATOM 0 H GLN B 128 -5.410 6.981 -3.910 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.699 6.669 -1.280 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -7.095 8.895 -2.222 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -7.658 8.188 -3.723 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -9.528 7.093 -2.503 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.967 7.810 -1.005 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -9.288 10.094 -0.736 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -10.420 10.955 -1.785 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.939 4.729 -2.047 1.00 13.44 N ATOM 2166 CA TRP B 129 -8.620 3.540 -2.423 1.00 61.35 C ATOM 2167 C TRP B 129 -10.097 3.632 -2.149 1.00 61.52 C ATOM 2168 O TRP B 129 -10.530 3.815 -1.011 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.987 2.304 -1.769 1.00 14.01 C ATOM 2170 CG TRP B 129 -7.629 2.448 -0.304 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.387 2.109 0.781 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.389 2.945 0.216 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -7.688 2.364 1.939 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -6.455 2.874 1.612 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -5.227 3.442 -0.377 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -5.395 3.277 2.421 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -4.187 3.835 0.422 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -4.272 3.751 1.802 1.00 31.53 C ATOM 0 H TRP B 129 -7.862 4.866 -1.039 1.00 13.44 H new ATOM 0 HA TRP B 129 -8.509 3.425 -3.501 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.676 1.466 -1.875 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.084 2.046 -2.321 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.386 1.701 0.737 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -8.030 2.201 2.886 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -5.149 3.515 -1.452 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -5.458 3.217 3.497 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -3.284 4.217 -0.032 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -3.432 4.067 2.403 1.00 31.53 H new ATOM 2189 N GLN B 130 -10.853 3.540 -3.199 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.286 3.540 -3.134 1.00 11.44 C ATOM 2191 C GLN B 130 -12.767 2.253 -3.792 1.00 30.22 C ATOM 2192 O GLN B 130 -12.893 2.192 -5.008 1.00 33.31 O ATOM 2193 CB GLN B 130 -12.886 4.758 -3.878 1.00 44.22 C ATOM 2194 CG GLN B 130 -12.426 6.139 -3.390 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.908 6.516 -1.993 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -13.109 5.676 -1.129 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.090 7.790 -1.771 1.00 53.21 N ATOM 0 H GLN B 130 -10.485 3.461 -4.147 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.607 3.603 -2.094 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -12.641 4.669 -4.936 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -13.972 4.709 -3.797 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -11.337 6.170 -3.404 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -12.775 6.893 -4.095 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.914 8.467 -2.513 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.409 8.108 -0.856 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.967 1.174 -3.019 1.00 63.05 N ATOM 2207 CA PRO B 131 -13.427 -0.124 -3.567 1.00 13.14 C ATOM 2208 C PRO B 131 -14.898 -0.058 -3.990 1.00 44.11 C ATOM 2209 O PRO B 131 -15.455 -0.991 -4.587 1.00 4.41 O ATOM 2210 CB PRO B 131 -13.249 -1.095 -2.381 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.391 -0.358 -1.403 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.731 1.090 -1.573 1.00 62.43 C ATOM 0 HA PRO B 131 -12.875 -0.423 -4.458 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -14.210 -1.361 -1.941 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -12.776 -2.024 -2.699 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.588 -0.689 -0.383 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.334 -0.537 -1.598 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.612 1.374 -0.998 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.918 1.741 -1.253 1.00 62.43 H new