USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= -5.36! C(o=-6.5!,f=-20!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= -1.1! USER MOD Set 2.1: A 73 SER OG : rot -95:sc= -1.27! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -4.08! C(o=-5.3!,f=-11!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.59) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 90:sc= -0.122 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -109:sc= -1.57 USER MOD Single : A 34 SER OG : rot 180:sc= -0.253 USER MOD Single : A 36 ASN : amide:sc= -0.636 K(o=-0.64,f=-0.12) USER MOD Single : A 37 SER OG : rot 36:sc= 0.104 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -10.1! C(o=-10!,f=-7.2!) USER MOD Single : A 45 SER OG : rot -75:sc= 0.212 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -69:sc= -2.88! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 21:sc= 0.424 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.17! C(o=-3.2!,f=-4.7!) USER MOD Single : A 68 SER OG : rot -23:sc= -0.544! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.085) USER MOD Single : A 85 TYR OH : rot 48:sc= 0.675 USER MOD Single : A 89 TYR OH : rot 100:sc= -1.19! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 74:sc= 1.84 USER MOD Single : A 97 TYR OH : rot 61:sc= -3.86 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -2.3 K(o=-2.3,f=-6.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc=-0.00113 USER MOD Single : A 108 ASN : amide:sc= -4.06! C(o=-4.1!,f=-3.4!) USER MOD Single : A 109 SER OG : rot 170:sc= -8.93! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.016 USER MOD Single : A 123 THR OG1 : rot 150:sc= -1.02 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -33.997 -3.780 -3.028 1.00 0.00 N ATOM 2 CA ARG A 7 -33.016 -4.386 -3.920 1.00 0.00 C ATOM 3 C ARG A 7 -31.598 -4.116 -3.432 1.00 0.00 C ATOM 4 O ARG A 7 -31.379 -3.266 -2.568 1.00 0.00 O ATOM 5 CB ARG A 7 -33.189 -3.849 -5.341 1.00 0.00 C ATOM 6 CG ARG A 7 -34.641 -3.717 -5.768 1.00 0.00 C ATOM 7 CD ARG A 7 -34.778 -3.706 -7.282 1.00 0.00 C ATOM 8 NE ARG A 7 -34.866 -2.350 -7.814 1.00 0.00 N ATOM 9 CZ ARG A 7 -35.139 -2.073 -9.085 1.00 0.00 C ATOM 10 NH1 ARG A 7 -35.202 -0.812 -9.492 1.00 0.00 N ATOM 11 NH2 ARG A 7 -35.349 -3.055 -9.950 1.00 0.00 N ATOM 0 HA ARG A 7 -33.181 -5.463 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -32.708 -2.874 -5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -32.673 -4.511 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.219 -4.544 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.060 -2.799 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.923 -4.215 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.668 -4.266 -7.569 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.709 -1.571 -7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -35.041 -0.054 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.412 -0.601 -10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -35.301 -4.026 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -35.558 -2.840 -10.925 1.00 0.00 H new ATOM 25 N ARG A 8 -30.636 -4.842 -3.992 1.00 0.00 N ATOM 26 CA ARG A 8 -29.236 -4.678 -3.616 1.00 0.00 C ATOM 27 C ARG A 8 -28.831 -3.207 -3.651 1.00 0.00 C ATOM 28 O ARG A 8 -29.594 -2.353 -4.101 1.00 0.00 O ATOM 29 CB ARG A 8 -28.337 -5.485 -4.554 1.00 0.00 C ATOM 30 CG ARG A 8 -28.734 -6.948 -4.669 1.00 0.00 C ATOM 31 CD ARG A 8 -27.737 -7.731 -5.507 1.00 0.00 C ATOM 32 NE ARG A 8 -28.102 -7.744 -6.920 1.00 0.00 N ATOM 33 CZ ARG A 8 -27.593 -8.596 -7.804 1.00 0.00 C ATOM 34 NH1 ARG A 8 -27.976 -8.547 -9.073 1.00 0.00 N ATOM 35 NH2 ARG A 8 -26.700 -9.498 -7.420 1.00 0.00 N ATOM 0 H ARG A 8 -30.800 -5.550 -4.708 1.00 0.00 H new ATOM 0 HA ARG A 8 -29.115 -5.047 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.361 -5.032 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -27.308 -5.423 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -28.799 -7.388 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -29.725 -7.023 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.745 -7.294 -5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.679 -8.755 -5.138 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.786 -7.061 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.662 -7.854 -9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.584 -9.202 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.403 -9.539 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.310 -10.151 -8.100 1.00 0.00 H new ATOM 49 N CYS A 9 -27.627 -2.922 -3.172 1.00 0.00 N ATOM 50 CA CYS A 9 -27.114 -1.560 -3.144 1.00 0.00 C ATOM 51 C CYS A 9 -26.435 -1.207 -4.463 1.00 0.00 C ATOM 52 O CYS A 9 -26.060 -2.090 -5.234 1.00 0.00 O ATOM 53 CB CYS A 9 -26.128 -1.395 -1.990 1.00 0.00 C ATOM 54 SG CYS A 9 -26.916 -1.191 -0.361 1.00 0.00 S ATOM 0 H CYS A 9 -26.985 -3.620 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.955 -0.882 -2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.473 -2.266 -1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.496 -0.529 -2.187 1.00 0.00 H new ATOM 59 N PRO A 10 -26.266 0.097 -4.741 1.00 0.00 N ATOM 60 CA PRO A 10 -25.627 0.562 -5.973 1.00 0.00 C ATOM 61 C PRO A 10 -24.138 0.242 -6.000 1.00 0.00 C ATOM 62 O PRO A 10 -23.564 -0.165 -4.992 1.00 0.00 O ATOM 63 CB PRO A 10 -25.854 2.072 -5.950 1.00 0.00 C ATOM 64 CG PRO A 10 -26.011 2.404 -4.510 1.00 0.00 C ATOM 65 CD PRO A 10 -26.683 1.216 -3.880 1.00 0.00 C ATOM 0 HA PRO A 10 -26.040 0.076 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.012 2.606 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -26.741 2.349 -6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.043 2.596 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.611 3.305 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.361 1.072 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.767 1.329 -3.863 1.00 0.00 H new ATOM 73 N SER A 11 -23.522 0.422 -7.161 1.00 0.00 N ATOM 74 CA SER A 11 -22.101 0.139 -7.324 1.00 0.00 C ATOM 75 C SER A 11 -21.279 0.817 -6.229 1.00 0.00 C ATOM 76 O SER A 11 -21.063 2.028 -6.270 1.00 0.00 O ATOM 77 CB SER A 11 -21.624 0.613 -8.699 1.00 0.00 C ATOM 78 OG SER A 11 -20.265 0.273 -8.913 1.00 0.00 O ATOM 0 H SER A 11 -23.984 0.763 -8.004 1.00 0.00 H new ATOM 0 HA SER A 11 -21.959 -0.939 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.241 0.163 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.749 1.693 -8.778 1.00 0.00 H new ATOM 0 HG SER A 11 -19.985 0.585 -9.799 1.00 0.00 H new ATOM 84 N PRO A 12 -20.800 0.048 -5.232 1.00 0.00 N ATOM 85 CA PRO A 12 -20.012 0.598 -4.138 1.00 0.00 C ATOM 86 C PRO A 12 -18.941 1.559 -4.636 1.00 0.00 C ATOM 87 O PRO A 12 -18.642 1.606 -5.829 1.00 0.00 O ATOM 88 CB PRO A 12 -19.355 -0.620 -3.482 1.00 0.00 C ATOM 89 CG PRO A 12 -19.913 -1.835 -4.151 1.00 0.00 C ATOM 90 CD PRO A 12 -21.004 -1.398 -5.088 1.00 0.00 C ATOM 0 HA PRO A 12 -20.636 1.170 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.272 -0.581 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.563 -0.640 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.130 -2.361 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.305 -2.531 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.931 -1.908 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.990 -1.622 -4.682 1.00 0.00 H new ATOM 98 N ARG A 13 -18.363 2.320 -3.716 1.00 0.00 N ATOM 99 CA ARG A 13 -17.300 3.252 -4.063 1.00 0.00 C ATOM 100 C ARG A 13 -16.016 2.494 -4.342 1.00 0.00 C ATOM 101 O ARG A 13 -15.930 1.293 -4.093 1.00 0.00 O ATOM 102 CB ARG A 13 -17.083 4.267 -2.939 1.00 0.00 C ATOM 103 CG ARG A 13 -16.678 5.646 -3.434 1.00 0.00 C ATOM 104 CD ARG A 13 -17.304 6.748 -2.594 1.00 0.00 C ATOM 105 NE ARG A 13 -16.582 8.011 -2.719 1.00 0.00 N ATOM 106 CZ ARG A 13 -15.415 8.256 -2.130 1.00 0.00 C ATOM 107 NH1 ARG A 13 -14.840 7.326 -1.379 1.00 0.00 N ATOM 108 NH2 ARG A 13 -14.821 9.431 -2.292 1.00 0.00 N ATOM 0 H ARG A 13 -18.612 2.310 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 13 -17.594 3.795 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.001 4.354 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.313 3.891 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.592 5.739 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -16.982 5.764 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -18.340 6.892 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.319 6.442 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.996 8.747 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.293 6.421 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.945 7.516 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.259 10.149 -2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.926 9.617 -1.839 1.00 0.00 H new ATOM 122 N ASP A 14 -15.023 3.193 -4.866 1.00 0.00 N ATOM 123 CA ASP A 14 -13.787 2.564 -5.244 1.00 0.00 C ATOM 124 C ASP A 14 -12.583 3.229 -4.589 1.00 0.00 C ATOM 125 O ASP A 14 -12.722 4.169 -3.806 1.00 0.00 O ATOM 126 CB ASP A 14 -13.668 2.633 -6.756 1.00 0.00 C ATOM 127 CG ASP A 14 -13.413 4.041 -7.260 1.00 0.00 C ATOM 128 OD1 ASP A 14 -12.240 4.471 -7.249 1.00 0.00 O ATOM 129 OD2 ASP A 14 -14.385 4.713 -7.664 1.00 0.00 O ATOM 0 H ASP A 14 -15.057 4.198 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.797 1.529 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.857 1.982 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.584 2.251 -7.206 1.00 0.00 H new ATOM 134 N ILE A 15 -11.401 2.728 -4.925 1.00 0.00 N ATOM 135 CA ILE A 15 -10.154 3.264 -4.394 1.00 0.00 C ATOM 136 C ILE A 15 -9.033 3.111 -5.417 1.00 0.00 C ATOM 137 O ILE A 15 -8.980 2.123 -6.149 1.00 0.00 O ATOM 138 CB ILE A 15 -9.749 2.562 -3.084 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.506 3.223 -2.484 1.00 0.00 C ATOM 140 CG2 ILE A 15 -9.500 1.085 -3.333 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.491 3.219 -0.971 1.00 0.00 C ATOM 0 H ILE A 15 -11.280 1.945 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.317 4.321 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.567 2.660 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.618 2.708 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.445 4.252 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.215 0.602 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.409 0.623 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.697 0.969 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.582 3.703 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.360 3.760 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.520 2.191 -0.610 1.00 0.00 H new ATOM 153 N ASP A 16 -8.155 4.105 -5.483 1.00 0.00 N ATOM 154 CA ASP A 16 -7.059 4.093 -6.445 1.00 0.00 C ATOM 155 C ASP A 16 -5.907 3.215 -5.970 1.00 0.00 C ATOM 156 O ASP A 16 -5.541 2.245 -6.633 1.00 0.00 O ATOM 157 CB ASP A 16 -6.557 5.516 -6.692 1.00 0.00 C ATOM 158 CG ASP A 16 -5.648 5.606 -7.902 1.00 0.00 C ATOM 159 OD1 ASP A 16 -4.428 5.796 -7.716 1.00 0.00 O ATOM 160 OD2 ASP A 16 -6.157 5.486 -9.037 1.00 0.00 O ATOM 0 H ASP A 16 -8.180 4.929 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.441 3.676 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.410 6.180 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.020 5.867 -5.811 1.00 0.00 H new ATOM 165 N ASN A 17 -5.332 3.565 -4.826 1.00 0.00 N ATOM 166 CA ASN A 17 -4.210 2.814 -4.276 1.00 0.00 C ATOM 167 C ASN A 17 -4.697 1.717 -3.341 1.00 0.00 C ATOM 168 O ASN A 17 -4.160 1.531 -2.249 1.00 0.00 O ATOM 169 CB ASN A 17 -3.256 3.753 -3.535 1.00 0.00 C ATOM 170 CG ASN A 17 -3.107 5.090 -4.233 1.00 0.00 C ATOM 171 OD1 ASN A 17 -2.963 6.129 -3.588 1.00 0.00 O ATOM 172 ND2 ASN A 17 -3.162 5.073 -5.561 1.00 0.00 N ATOM 0 H ASN A 17 -5.624 4.363 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.676 2.347 -5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.623 3.914 -2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.278 3.280 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.084 5.944 -6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.282 4.189 -6.055 1.00 0.00 H new ATOM 179 N GLY A 18 -5.717 0.990 -3.781 1.00 0.00 N ATOM 180 CA GLY A 18 -6.262 -0.083 -2.973 1.00 0.00 C ATOM 181 C GLY A 18 -7.196 -0.992 -3.750 1.00 0.00 C ATOM 182 O GLY A 18 -7.423 -0.789 -4.943 1.00 0.00 O ATOM 0 H GLY A 18 -6.176 1.125 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.443 -0.675 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.800 0.344 -2.126 1.00 0.00 H new ATOM 186 N GLN A 19 -7.738 -1.997 -3.068 1.00 0.00 N ATOM 187 CA GLN A 19 -8.660 -2.943 -3.688 1.00 0.00 C ATOM 188 C GLN A 19 -9.815 -3.262 -2.743 1.00 0.00 C ATOM 189 O GLN A 19 -9.611 -3.454 -1.545 1.00 0.00 O ATOM 190 CB GLN A 19 -7.930 -4.236 -4.067 1.00 0.00 C ATOM 191 CG GLN A 19 -6.473 -4.031 -4.451 1.00 0.00 C ATOM 192 CD GLN A 19 -6.025 -4.967 -5.556 1.00 0.00 C ATOM 193 OE1 GLN A 19 -5.654 -4.528 -6.645 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.057 -6.265 -5.281 1.00 0.00 N ATOM 0 H GLN A 19 -7.553 -2.177 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.059 -2.484 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.980 -4.929 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.453 -4.706 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.327 -3.000 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.845 -4.184 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.372 -6.585 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.767 -6.943 -5.986 1.00 0.00 H new ATOM 203 N LEU A 20 -11.027 -3.318 -3.287 1.00 0.00 N ATOM 204 CA LEU A 20 -12.208 -3.607 -2.483 1.00 0.00 C ATOM 205 C LEU A 20 -12.446 -5.107 -2.362 1.00 0.00 C ATOM 206 O LEU A 20 -12.067 -5.882 -3.240 1.00 0.00 O ATOM 207 CB LEU A 20 -13.444 -2.954 -3.093 1.00 0.00 C ATOM 208 CG LEU A 20 -13.186 -1.676 -3.887 1.00 0.00 C ATOM 209 CD1 LEU A 20 -14.496 -0.956 -4.140 1.00 0.00 C ATOM 210 CD2 LEU A 20 -12.215 -0.769 -3.151 1.00 0.00 C ATOM 0 H LEU A 20 -11.216 -3.168 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.030 -3.199 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.930 -3.677 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.147 -2.728 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.737 -1.944 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.307 -0.045 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.164 -1.604 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.961 -0.701 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.047 0.135 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.632 -0.501 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.268 -1.290 -3.007 1.00 0.00 H new ATOM 222 N ASP A 21 -13.112 -5.501 -1.284 1.00 0.00 N ATOM 223 CA ASP A 21 -13.458 -6.898 -1.061 1.00 0.00 C ATOM 224 C ASP A 21 -14.963 -7.035 -0.867 1.00 0.00 C ATOM 225 O ASP A 21 -15.452 -7.073 0.262 1.00 0.00 O ATOM 226 CB ASP A 21 -12.716 -7.445 0.161 1.00 0.00 C ATOM 227 CG ASP A 21 -12.534 -8.949 0.101 1.00 0.00 C ATOM 228 OD1 ASP A 21 -13.396 -9.674 0.643 1.00 0.00 O ATOM 229 OD2 ASP A 21 -11.530 -9.403 -0.487 1.00 0.00 O ATOM 0 H ASP A 21 -13.424 -4.869 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.158 -7.477 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.740 -6.966 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.267 -7.184 1.064 1.00 0.00 H new ATOM 234 N ILE A 22 -15.697 -7.078 -1.976 1.00 0.00 N ATOM 235 CA ILE A 22 -17.153 -7.154 -1.925 1.00 0.00 C ATOM 236 C ILE A 22 -17.624 -8.503 -1.390 1.00 0.00 C ATOM 237 O ILE A 22 -17.590 -9.512 -2.095 1.00 0.00 O ATOM 238 CB ILE A 22 -17.779 -6.904 -3.310 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.388 -5.506 -3.813 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.299 -7.072 -3.262 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.308 -4.387 -3.355 1.00 0.00 C ATOM 0 H ILE A 22 -15.308 -7.062 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.484 -6.371 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.393 -7.645 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -16.374 -5.285 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.368 -5.519 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -19.717 -6.890 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -19.543 -8.086 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.722 -6.360 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.955 -3.438 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.320 -4.579 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.310 -4.341 -2.266 1.00 0.00 H new ATOM 253 N GLY A 23 -18.082 -8.502 -0.145 1.00 0.00 N ATOM 254 CA GLY A 23 -18.596 -9.715 0.459 1.00 0.00 C ATOM 255 C GLY A 23 -20.112 -9.710 0.554 1.00 0.00 C ATOM 256 O GLY A 23 -20.697 -10.515 1.280 1.00 0.00 O ATOM 0 H GLY A 23 -18.107 -7.680 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.273 -10.576 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.171 -9.831 1.456 1.00 0.00 H new ATOM 260 N GLY A 24 -20.749 -8.796 -0.178 1.00 0.00 N ATOM 261 CA GLY A 24 -22.196 -8.701 -0.157 1.00 0.00 C ATOM 262 C GLY A 24 -22.684 -7.307 -0.502 1.00 0.00 C ATOM 263 O GLY A 24 -22.328 -6.337 0.166 1.00 0.00 O ATOM 0 H GLY A 24 -20.285 -8.120 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.616 -9.416 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.562 -8.978 0.832 1.00 0.00 H new ATOM 267 N VAL A 25 -23.493 -7.204 -1.552 1.00 0.00 N ATOM 268 CA VAL A 25 -24.020 -5.915 -1.986 1.00 0.00 C ATOM 269 C VAL A 25 -25.512 -5.795 -1.692 1.00 0.00 C ATOM 270 O VAL A 25 -26.214 -4.996 -2.313 1.00 0.00 O ATOM 271 CB VAL A 25 -23.788 -5.692 -3.491 1.00 0.00 C ATOM 272 CG1 VAL A 25 -22.300 -5.590 -3.792 1.00 0.00 C ATOM 273 CG2 VAL A 25 -24.430 -6.806 -4.302 1.00 0.00 C ATOM 0 H VAL A 25 -23.797 -7.997 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.482 -5.153 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.258 -4.751 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -22.155 -5.432 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -21.874 -4.752 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -21.804 -6.513 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -24.255 -6.631 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -23.993 -7.763 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -25.503 -6.825 -4.109 1.00 0.00 H new ATOM 283 N ASP A 26 -25.991 -6.586 -0.738 1.00 0.00 N ATOM 284 CA ASP A 26 -27.397 -6.556 -0.359 1.00 0.00 C ATOM 285 C ASP A 26 -27.603 -5.715 0.894 1.00 0.00 C ATOM 286 O ASP A 26 -26.672 -5.496 1.669 1.00 0.00 O ATOM 287 CB ASP A 26 -27.917 -7.974 -0.120 1.00 0.00 C ATOM 288 CG ASP A 26 -28.107 -8.747 -1.410 1.00 0.00 C ATOM 289 OD1 ASP A 26 -27.091 -9.141 -2.021 1.00 0.00 O ATOM 290 OD2 ASP A 26 -29.271 -8.960 -1.809 1.00 0.00 O ATOM 0 H ASP A 26 -25.426 -7.255 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 26 -27.956 -6.105 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -27.218 -8.511 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -28.866 -7.924 0.413 1.00 0.00 H new ATOM 295 N PHE A 27 -28.831 -5.251 1.088 1.00 0.00 N ATOM 296 CA PHE A 27 -29.167 -4.432 2.246 1.00 0.00 C ATOM 297 C PHE A 27 -28.817 -5.154 3.543 1.00 0.00 C ATOM 298 O PHE A 27 -29.623 -5.915 4.079 1.00 0.00 O ATOM 299 CB PHE A 27 -30.656 -4.082 2.225 1.00 0.00 C ATOM 300 CG PHE A 27 -31.117 -3.310 3.428 1.00 0.00 C ATOM 301 CD1 PHE A 27 -30.290 -2.374 4.031 1.00 0.00 C ATOM 302 CD2 PHE A 27 -32.384 -3.515 3.950 1.00 0.00 C ATOM 303 CE1 PHE A 27 -30.719 -1.662 5.136 1.00 0.00 C ATOM 304 CE2 PHE A 27 -32.817 -2.806 5.053 1.00 0.00 C ATOM 305 CZ PHE A 27 -31.984 -1.879 5.647 1.00 0.00 C ATOM 0 H PHE A 27 -29.612 -5.428 0.457 1.00 0.00 H new ATOM 0 HA PHE A 27 -28.582 -3.513 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.870 -3.500 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -31.235 -5.003 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -29.301 -2.200 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -33.041 -4.238 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -30.066 -0.937 5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -33.807 -2.977 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 27 -32.321 -1.324 6.510 1.00 0.00 H new ATOM 315 N GLY A 28 -27.608 -4.914 4.038 1.00 0.00 N ATOM 316 CA GLY A 28 -27.169 -5.550 5.266 1.00 0.00 C ATOM 317 C GLY A 28 -25.794 -6.188 5.148 1.00 0.00 C ATOM 318 O GLY A 28 -25.290 -6.762 6.114 1.00 0.00 O ATOM 0 H GLY A 28 -26.924 -4.290 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -27.152 -4.810 6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -27.893 -6.312 5.553 1.00 0.00 H new ATOM 322 N SER A 29 -25.183 -6.092 3.969 1.00 0.00 N ATOM 323 CA SER A 29 -23.861 -6.666 3.750 1.00 0.00 C ATOM 324 C SER A 29 -22.770 -5.653 4.083 1.00 0.00 C ATOM 325 O SER A 29 -23.056 -4.565 4.582 1.00 0.00 O ATOM 326 CB SER A 29 -23.720 -7.134 2.300 1.00 0.00 C ATOM 327 OG SER A 29 -24.555 -8.249 2.040 1.00 0.00 O ATOM 0 H SER A 29 -25.582 -5.624 3.155 1.00 0.00 H new ATOM 0 HA SER A 29 -23.747 -7.525 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 29 -23.977 -6.318 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 29 -22.682 -7.399 2.099 1.00 0.00 H new ATOM 0 HG SER A 29 -25.431 -7.937 1.731 1.00 0.00 H new ATOM 333 N SER A 30 -21.520 -6.014 3.808 1.00 0.00 N ATOM 334 CA SER A 30 -20.394 -5.131 4.092 1.00 0.00 C ATOM 335 C SER A 30 -19.199 -5.448 3.202 1.00 0.00 C ATOM 336 O SER A 30 -18.947 -6.605 2.865 1.00 0.00 O ATOM 337 CB SER A 30 -19.991 -5.248 5.564 1.00 0.00 C ATOM 338 OG SER A 30 -19.941 -6.604 5.974 1.00 0.00 O ATOM 0 H SER A 30 -21.262 -6.908 3.391 1.00 0.00 H new ATOM 0 HA SER A 30 -20.711 -4.109 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.017 -4.783 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.704 -4.704 6.184 1.00 0.00 H new ATOM 0 HG SER A 30 -19.680 -6.651 6.917 1.00 0.00 H new ATOM 344 N ILE A 31 -18.463 -4.406 2.834 1.00 0.00 N ATOM 345 CA ILE A 31 -17.280 -4.553 1.992 1.00 0.00 C ATOM 346 C ILE A 31 -16.013 -4.404 2.824 1.00 0.00 C ATOM 347 O ILE A 31 -16.061 -3.960 3.970 1.00 0.00 O ATOM 348 CB ILE A 31 -17.237 -3.515 0.842 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.614 -2.892 0.586 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.719 -4.162 -0.427 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.629 -1.919 -0.573 1.00 0.00 C ATOM 0 H ILE A 31 -18.666 -3.444 3.107 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.336 -5.550 1.554 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.561 -2.716 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.334 -3.687 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.944 -2.376 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.693 -3.423 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.713 -4.546 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.377 -4.983 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.634 -1.517 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.934 -1.104 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.330 -2.435 -1.485 1.00 0.00 H new ATOM 363 N THR A 32 -14.878 -4.766 2.238 1.00 0.00 N ATOM 364 CA THR A 32 -13.599 -4.653 2.924 1.00 0.00 C ATOM 365 C THR A 32 -12.561 -3.998 2.023 1.00 0.00 C ATOM 366 O THR A 32 -12.102 -4.594 1.049 1.00 0.00 O ATOM 367 CB THR A 32 -13.109 -6.032 3.370 1.00 0.00 C ATOM 368 OG1 THR A 32 -14.193 -6.939 3.474 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.396 -6.013 4.704 1.00 0.00 C ATOM 0 H THR A 32 -14.818 -5.140 1.291 1.00 0.00 H new ATOM 0 HA THR A 32 -13.740 -4.026 3.805 1.00 0.00 H new ATOM 0 HB THR A 32 -12.401 -6.348 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.860 -7.816 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.075 -7.023 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.525 -5.361 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.073 -5.642 5.473 1.00 0.00 H new ATOM 377 N TYR A 33 -12.202 -2.763 2.351 1.00 0.00 N ATOM 378 CA TYR A 33 -11.230 -2.017 1.566 1.00 0.00 C ATOM 379 C TYR A 33 -9.806 -2.411 1.935 1.00 0.00 C ATOM 380 O TYR A 33 -9.533 -2.807 3.067 1.00 0.00 O ATOM 381 CB TYR A 33 -11.439 -0.516 1.767 1.00 0.00 C ATOM 382 CG TYR A 33 -12.477 0.059 0.837 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.836 -0.113 1.082 1.00 0.00 C ATOM 384 CD2 TYR A 33 -12.097 0.738 -0.312 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.783 0.394 0.212 1.00 0.00 C ATOM 386 CE2 TYR A 33 -13.038 1.247 -1.184 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.378 1.079 -0.914 1.00 0.00 C ATOM 388 OH TYR A 33 -15.315 1.589 -1.779 1.00 0.00 O ATOM 0 H TYR A 33 -12.571 -2.257 3.157 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.380 -2.259 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.739 -0.330 2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.492 0.002 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.155 -0.650 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.047 0.870 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.835 0.254 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.725 1.774 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.313 1.067 -2.608 1.00 0.00 H new ATOM 398 N SER A 34 -8.905 -2.327 0.963 1.00 0.00 N ATOM 399 CA SER A 34 -7.509 -2.683 1.183 1.00 0.00 C ATOM 400 C SER A 34 -6.600 -1.929 0.220 1.00 0.00 C ATOM 401 O SER A 34 -7.068 -1.309 -0.734 1.00 0.00 O ATOM 402 CB SER A 34 -7.315 -4.192 1.011 1.00 0.00 C ATOM 403 OG SER A 34 -8.326 -4.917 1.690 1.00 0.00 O ATOM 0 H SER A 34 -9.117 -2.015 0.015 1.00 0.00 H new ATOM 0 HA SER A 34 -7.242 -2.402 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.331 -4.445 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.336 -4.482 1.393 1.00 0.00 H new ATOM 0 HG SER A 34 -8.181 -5.878 1.563 1.00 0.00 H new ATOM 409 N CYS A 35 -5.297 -1.982 0.477 1.00 0.00 N ATOM 410 CA CYS A 35 -4.326 -1.304 -0.371 1.00 0.00 C ATOM 411 C CYS A 35 -3.888 -2.205 -1.522 1.00 0.00 C ATOM 412 O CYS A 35 -4.239 -3.384 -1.566 1.00 0.00 O ATOM 413 CB CYS A 35 -3.115 -0.878 0.454 1.00 0.00 C ATOM 414 SG CYS A 35 -3.248 0.801 1.148 1.00 0.00 S ATOM 0 H CYS A 35 -4.891 -2.487 1.265 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.799 -0.417 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.976 -1.588 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.224 -0.932 -0.172 1.00 0.00 H new ATOM 419 N ASN A 36 -3.129 -1.642 -2.458 1.00 0.00 N ATOM 420 CA ASN A 36 -2.659 -2.399 -3.614 1.00 0.00 C ATOM 421 C ASN A 36 -1.610 -3.429 -3.206 1.00 0.00 C ATOM 422 O ASN A 36 -1.925 -4.600 -2.993 1.00 0.00 O ATOM 423 CB ASN A 36 -2.082 -1.454 -4.670 1.00 0.00 C ATOM 424 CG ASN A 36 -2.994 -1.304 -5.872 1.00 0.00 C ATOM 425 OD1 ASN A 36 -3.416 -2.291 -6.473 1.00 0.00 O ATOM 426 ND2 ASN A 36 -3.303 -0.063 -6.228 1.00 0.00 N ATOM 0 H ASN A 36 -2.827 -0.668 -2.439 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.512 -2.929 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.911 -0.475 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.112 -1.828 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.913 0.101 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.930 0.727 -5.701 1.00 0.00 H new ATOM 433 N SER A 37 -0.360 -2.988 -3.110 1.00 0.00 N ATOM 434 CA SER A 37 0.737 -3.869 -2.726 1.00 0.00 C ATOM 435 C SER A 37 1.868 -3.069 -2.094 1.00 0.00 C ATOM 436 O SER A 37 2.305 -2.056 -2.640 1.00 0.00 O ATOM 437 CB SER A 37 1.256 -4.637 -3.944 1.00 0.00 C ATOM 438 OG SER A 37 0.676 -5.927 -4.019 1.00 0.00 O ATOM 0 H SER A 37 -0.081 -2.024 -3.293 1.00 0.00 H new ATOM 0 HA SER A 37 0.362 -4.583 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.029 -4.080 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.341 -4.726 -3.887 1.00 0.00 H new ATOM 0 HG SER A 37 -0.255 -5.885 -3.716 1.00 0.00 H new ATOM 444 N GLY A 38 2.335 -3.524 -0.936 1.00 0.00 N ATOM 445 CA GLY A 38 3.391 -2.815 -0.241 1.00 0.00 C ATOM 446 C GLY A 38 2.943 -1.441 0.215 1.00 0.00 C ATOM 447 O GLY A 38 3.761 -0.543 0.408 1.00 0.00 O ATOM 0 H GLY A 38 2.002 -4.367 -0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.712 -3.397 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.255 -2.716 -0.898 1.00 0.00 H new ATOM 451 N TYR A 39 1.634 -1.279 0.372 1.00 0.00 N ATOM 452 CA TYR A 39 1.058 -0.006 0.787 1.00 0.00 C ATOM 453 C TYR A 39 0.421 -0.123 2.169 1.00 0.00 C ATOM 454 O TYR A 39 0.334 -1.215 2.730 1.00 0.00 O ATOM 455 CB TYR A 39 -0.016 0.422 -0.216 1.00 0.00 C ATOM 456 CG TYR A 39 0.479 1.296 -1.344 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.191 2.467 -1.673 1.00 0.00 C ATOM 458 CD2 TYR A 39 1.578 0.931 -2.109 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.241 3.269 -2.709 1.00 0.00 C ATOM 460 CE2 TYR A 39 2.015 1.725 -3.152 1.00 0.00 C ATOM 461 CZ TYR A 39 1.342 2.895 -3.449 1.00 0.00 C ATOM 462 OH TYR A 39 1.773 3.695 -4.485 1.00 0.00 O ATOM 0 H TYR A 39 0.949 -2.018 0.217 1.00 0.00 H new ATOM 0 HA TYR A 39 1.857 0.734 0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.472 -0.472 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.801 0.956 0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.065 2.755 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.100 0.012 -1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.281 4.186 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.878 1.433 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 39 2.561 3.291 -4.905 1.00 0.00 H new ATOM 472 N HIS A 40 -0.055 1.002 2.697 1.00 0.00 N ATOM 473 CA HIS A 40 -0.767 1.002 3.969 1.00 0.00 C ATOM 474 C HIS A 40 -2.065 1.785 3.837 1.00 0.00 C ATOM 475 O HIS A 40 -2.090 2.875 3.266 1.00 0.00 O ATOM 476 CB HIS A 40 0.079 1.577 5.115 1.00 0.00 C ATOM 477 CG HIS A 40 1.271 2.380 4.688 1.00 0.00 C ATOM 478 ND1 HIS A 40 2.463 2.380 5.383 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.443 3.240 3.656 1.00 0.00 C ATOM 480 CE1 HIS A 40 3.319 3.191 4.789 1.00 0.00 C ATOM 481 NE2 HIS A 40 2.725 3.722 3.737 1.00 0.00 N ATOM 0 H HIS A 40 0.040 1.921 2.265 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.984 -0.037 4.218 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.559 2.206 5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.421 0.753 5.741 1.00 0.00 H new ATOM 0 HD1 HIS A 40 2.653 1.837 6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.708 3.498 2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.332 3.386 5.109 1.00 0.00 H new ATOM 490 N LEU A 41 -3.148 1.198 4.326 1.00 0.00 N ATOM 491 CA LEU A 41 -4.457 1.829 4.243 1.00 0.00 C ATOM 492 C LEU A 41 -4.775 2.587 5.521 1.00 0.00 C ATOM 493 O LEU A 41 -4.852 2.000 6.600 1.00 0.00 O ATOM 494 CB LEU A 41 -5.539 0.782 3.975 1.00 0.00 C ATOM 495 CG LEU A 41 -6.970 1.323 3.974 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.840 0.529 3.011 1.00 0.00 C ATOM 497 CD2 LEU A 41 -7.551 1.293 5.378 1.00 0.00 C ATOM 0 H LEU A 41 -3.146 0.287 4.784 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.437 2.538 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.342 0.315 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.462 -0.001 4.730 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.948 2.359 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.854 0.928 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.432 0.607 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.858 -0.518 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.569 1.681 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.561 0.267 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.940 1.909 6.038 1.00 0.00 H new ATOM 509 N ILE A 42 -4.957 3.894 5.395 1.00 0.00 N ATOM 510 CA ILE A 42 -5.270 4.726 6.546 1.00 0.00 C ATOM 511 C ILE A 42 -6.766 4.973 6.638 1.00 0.00 C ATOM 512 O ILE A 42 -7.462 5.039 5.625 1.00 0.00 O ATOM 513 CB ILE A 42 -4.534 6.082 6.513 1.00 0.00 C ATOM 514 CG1 ILE A 42 -3.217 5.976 5.736 1.00 0.00 C ATOM 515 CG2 ILE A 42 -4.271 6.562 7.930 1.00 0.00 C ATOM 516 CD1 ILE A 42 -2.360 4.804 6.161 1.00 0.00 C ATOM 0 H ILE A 42 -4.893 4.399 4.511 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.928 4.178 7.424 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.169 6.805 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.438 5.888 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.650 6.898 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.751 7.520 7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.218 6.680 8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.654 5.831 8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.444 4.790 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.109 4.901 7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.909 3.876 6.002 1.00 0.00 H new ATOM 528 N GLY A 43 -7.255 5.090 7.862 1.00 0.00 N ATOM 529 CA GLY A 43 -8.674 5.307 8.073 1.00 0.00 C ATOM 530 C GLY A 43 -9.452 4.008 8.114 1.00 0.00 C ATOM 531 O GLY A 43 -8.920 2.974 8.518 1.00 0.00 O ATOM 0 H GLY A 43 -6.697 5.039 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.822 5.847 9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.066 5.938 7.275 1.00 0.00 H new ATOM 535 N GLU A 44 -10.709 4.053 7.683 1.00 0.00 N ATOM 536 CA GLU A 44 -11.545 2.860 7.665 1.00 0.00 C ATOM 537 C GLU A 44 -11.029 1.855 6.648 1.00 0.00 C ATOM 538 O GLU A 44 -10.019 2.084 5.986 1.00 0.00 O ATOM 539 CB GLU A 44 -12.995 3.215 7.329 1.00 0.00 C ATOM 540 CG GLU A 44 -13.138 4.115 6.113 1.00 0.00 C ATOM 541 CD GLU A 44 -14.085 5.275 6.351 1.00 0.00 C ATOM 542 OE1 GLU A 44 -14.703 5.746 5.374 1.00 0.00 O ATOM 543 OE2 GLU A 44 -14.208 5.712 7.515 1.00 0.00 O ATOM 0 H GLU A 44 -11.168 4.898 7.344 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.506 2.417 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.554 2.295 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.448 3.707 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.158 4.503 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.497 3.525 5.270 1.00 0.00 H new ATOM 550 N SER A 45 -11.755 0.758 6.511 1.00 0.00 N ATOM 551 CA SER A 45 -11.393 -0.296 5.575 1.00 0.00 C ATOM 552 C SER A 45 -12.520 -1.312 5.461 1.00 0.00 C ATOM 553 O SER A 45 -12.283 -2.494 5.213 1.00 0.00 O ATOM 554 CB SER A 45 -10.108 -0.986 6.036 1.00 0.00 C ATOM 555 OG SER A 45 -9.277 -1.312 4.939 1.00 0.00 O ATOM 0 H SER A 45 -12.606 0.572 7.041 1.00 0.00 H new ATOM 0 HA SER A 45 -11.225 0.149 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.568 -0.333 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.357 -1.892 6.588 1.00 0.00 H new ATOM 0 HG SER A 45 -9.651 -2.083 4.464 1.00 0.00 H new ATOM 561 N LYS A 46 -13.748 -0.841 5.649 1.00 0.00 N ATOM 562 CA LYS A 46 -14.912 -1.705 5.574 1.00 0.00 C ATOM 563 C LYS A 46 -16.181 -0.886 5.391 1.00 0.00 C ATOM 564 O LYS A 46 -16.483 0.001 6.189 1.00 0.00 O ATOM 565 CB LYS A 46 -15.015 -2.558 6.835 1.00 0.00 C ATOM 566 CG LYS A 46 -14.789 -4.035 6.579 1.00 0.00 C ATOM 567 CD LYS A 46 -14.484 -4.786 7.864 1.00 0.00 C ATOM 568 CE LYS A 46 -15.658 -5.647 8.299 1.00 0.00 C ATOM 569 NZ LYS A 46 -15.290 -7.087 8.390 1.00 0.00 N ATOM 0 H LYS A 46 -13.959 0.136 5.854 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.798 -2.360 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.285 -2.207 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.001 -2.420 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.674 -4.463 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.963 -4.161 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.605 -5.414 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.241 -4.075 8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.020 -5.303 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.478 -5.526 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.119 -7.639 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.969 -7.423 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.525 -7.207 9.084 1.00 0.00 H new ATOM 583 N SER A 47 -16.913 -1.183 4.326 1.00 0.00 N ATOM 584 CA SER A 47 -18.144 -0.475 4.016 1.00 0.00 C ATOM 585 C SER A 47 -19.348 -1.338 4.334 1.00 0.00 C ATOM 586 O SER A 47 -19.249 -2.563 4.348 1.00 0.00 O ATOM 587 CB SER A 47 -18.154 -0.090 2.538 1.00 0.00 C ATOM 588 OG SER A 47 -17.122 -0.757 1.836 1.00 0.00 O ATOM 0 H SER A 47 -16.672 -1.916 3.659 1.00 0.00 H new ATOM 0 HA SER A 47 -18.195 0.427 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.119 -0.341 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.029 0.988 2.438 1.00 0.00 H new ATOM 0 HG SER A 47 -16.253 -0.405 2.120 1.00 0.00 H new ATOM 594 N TYR A 48 -20.486 -0.709 4.595 1.00 0.00 N ATOM 595 CA TYR A 48 -21.686 -1.485 4.922 1.00 0.00 C ATOM 596 C TYR A 48 -22.895 -1.047 4.110 1.00 0.00 C ATOM 597 O TYR A 48 -23.279 0.122 4.114 1.00 0.00 O ATOM 598 CB TYR A 48 -22.000 -1.418 6.419 1.00 0.00 C ATOM 599 CG TYR A 48 -20.769 -1.272 7.279 1.00 0.00 C ATOM 600 CD1 TYR A 48 -19.727 -2.179 7.172 1.00 0.00 C ATOM 601 CD2 TYR A 48 -20.637 -0.219 8.173 1.00 0.00 C ATOM 602 CE1 TYR A 48 -18.590 -2.053 7.943 1.00 0.00 C ATOM 603 CE2 TYR A 48 -19.502 -0.082 8.948 1.00 0.00 C ATOM 604 CZ TYR A 48 -18.481 -1.002 8.831 1.00 0.00 C ATOM 605 OH TYR A 48 -17.349 -0.871 9.602 1.00 0.00 O ATOM 0 H TYR A 48 -20.609 0.304 4.589 1.00 0.00 H new ATOM 0 HA TYR A 48 -21.468 -2.520 4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -22.668 -0.577 6.606 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -22.535 -2.321 6.712 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.806 -2.999 6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -21.434 0.504 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.790 -2.773 7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.414 0.741 9.642 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.432 -0.079 10.173 1.00 0.00 H new ATOM 615 N CYS A 49 -23.499 -2.013 3.427 1.00 0.00 N ATOM 616 CA CYS A 49 -24.686 -1.759 2.622 1.00 0.00 C ATOM 617 C CYS A 49 -25.907 -1.601 3.514 1.00 0.00 C ATOM 618 O CYS A 49 -26.504 -2.586 3.950 1.00 0.00 O ATOM 619 CB CYS A 49 -24.913 -2.899 1.626 1.00 0.00 C ATOM 620 SG CYS A 49 -26.501 -2.810 0.735 1.00 0.00 S ATOM 0 H CYS A 49 -23.184 -2.983 3.416 1.00 0.00 H new ATOM 0 HA CYS A 49 -24.531 -0.834 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -24.101 -2.898 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.862 -3.848 2.160 1.00 0.00 H new ATOM 625 N GLU A 50 -26.269 -0.358 3.787 1.00 0.00 N ATOM 626 CA GLU A 50 -27.417 -0.073 4.635 1.00 0.00 C ATOM 627 C GLU A 50 -28.448 0.770 3.897 1.00 0.00 C ATOM 628 O GLU A 50 -28.324 1.015 2.698 1.00 0.00 O ATOM 629 CB GLU A 50 -26.970 0.643 5.911 1.00 0.00 C ATOM 630 CG GLU A 50 -27.247 -0.150 7.177 1.00 0.00 C ATOM 631 CD GLU A 50 -26.099 -0.093 8.165 1.00 0.00 C ATOM 632 OE1 GLU A 50 -26.298 0.439 9.277 1.00 0.00 O ATOM 633 OE2 GLU A 50 -25.000 -0.581 7.826 1.00 0.00 O ATOM 0 H GLU A 50 -25.786 0.469 3.435 1.00 0.00 H new ATOM 0 HA GLU A 50 -27.881 -1.022 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -25.902 0.850 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -27.478 1.605 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -28.149 0.235 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -27.444 -1.189 6.914 1.00 0.00 H new ATOM 640 N LEU A 51 -29.471 1.202 4.623 1.00 0.00 N ATOM 641 CA LEU A 51 -30.533 2.012 4.043 1.00 0.00 C ATOM 642 C LEU A 51 -30.241 3.498 4.223 1.00 0.00 C ATOM 643 O LEU A 51 -29.673 3.911 5.234 1.00 0.00 O ATOM 644 CB LEU A 51 -31.874 1.662 4.690 1.00 0.00 C ATOM 645 CG LEU A 51 -32.034 2.135 6.136 1.00 0.00 C ATOM 646 CD1 LEU A 51 -31.834 0.979 7.103 1.00 0.00 C ATOM 647 CD2 LEU A 51 -33.399 2.772 6.339 1.00 0.00 C ATOM 0 H LEU A 51 -29.587 1.004 5.617 1.00 0.00 H new ATOM 0 HA LEU A 51 -30.583 1.797 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -32.674 2.096 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -32.004 0.580 4.660 1.00 0.00 H new ATOM 0 HG LEU A 51 -31.270 2.886 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -31.952 1.336 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -32.574 0.204 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -30.833 0.567 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -33.496 3.103 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -33.504 3.628 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -34.178 2.042 6.117 1.00 0.00 H new ATOM 659 N GLY A 52 -30.631 4.297 3.236 1.00 0.00 N ATOM 660 CA GLY A 52 -30.402 5.728 3.308 1.00 0.00 C ATOM 661 C GLY A 52 -31.164 6.379 4.445 1.00 0.00 C ATOM 662 O GLY A 52 -30.990 6.013 5.608 1.00 0.00 O ATOM 0 H GLY A 52 -31.101 3.980 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -29.336 5.917 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -30.698 6.188 2.365 1.00 0.00 H new ATOM 666 N SER A 53 -32.012 7.346 4.110 1.00 0.00 N ATOM 667 CA SER A 53 -32.803 8.050 5.112 1.00 0.00 C ATOM 668 C SER A 53 -34.288 7.743 4.947 1.00 0.00 C ATOM 669 O SER A 53 -35.037 7.708 5.924 1.00 0.00 O ATOM 670 CB SER A 53 -32.568 9.558 5.008 1.00 0.00 C ATOM 671 OG SER A 53 -32.668 10.179 6.278 1.00 0.00 O ATOM 0 H SER A 53 -32.169 7.660 3.152 1.00 0.00 H new ATOM 0 HA SER A 53 -32.487 7.706 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 53 -31.582 9.747 4.584 1.00 0.00 H new ATOM 0 HB3 SER A 53 -33.297 9.997 4.327 1.00 0.00 H new ATOM 0 HG SER A 53 -32.512 11.142 6.184 1.00 0.00 H new ATOM 677 N THR A 54 -34.707 7.520 3.706 1.00 0.00 N ATOM 678 CA THR A 54 -36.102 7.214 3.414 1.00 0.00 C ATOM 679 C THR A 54 -36.244 5.807 2.846 1.00 0.00 C ATOM 680 O THR A 54 -37.044 5.569 1.942 1.00 0.00 O ATOM 681 CB THR A 54 -36.674 8.234 2.427 1.00 0.00 C ATOM 682 OG1 THR A 54 -35.842 8.348 1.286 1.00 0.00 O ATOM 683 CG2 THR A 54 -36.837 9.616 3.019 1.00 0.00 C ATOM 0 H THR A 54 -34.100 7.545 2.886 1.00 0.00 H new ATOM 0 HA THR A 54 -36.662 7.267 4.348 1.00 0.00 H new ATOM 0 HB THR A 54 -37.660 7.855 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 54 -36.225 9.003 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 54 -37.247 10.289 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 54 -37.515 9.569 3.871 1.00 0.00 H new ATOM 0 HG23 THR A 54 -35.867 9.988 3.348 1.00 0.00 H new ATOM 691 N GLY A 55 -35.460 4.877 3.382 1.00 0.00 N ATOM 692 CA GLY A 55 -35.509 3.505 2.912 1.00 0.00 C ATOM 693 C GLY A 55 -34.775 3.318 1.599 1.00 0.00 C ATOM 694 O GLY A 55 -35.043 2.372 0.858 1.00 0.00 O ATOM 0 H GLY A 55 -34.792 5.049 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -35.073 2.850 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -36.549 3.202 2.790 1.00 0.00 H new ATOM 698 N SER A 56 -33.846 4.224 1.311 1.00 0.00 N ATOM 699 CA SER A 56 -33.071 4.162 0.078 1.00 0.00 C ATOM 700 C SER A 56 -31.880 3.222 0.226 1.00 0.00 C ATOM 701 O SER A 56 -31.846 2.382 1.126 1.00 0.00 O ATOM 702 CB SER A 56 -32.586 5.561 -0.309 1.00 0.00 C ATOM 703 OG SER A 56 -32.115 5.587 -1.645 1.00 0.00 O ATOM 0 H SER A 56 -33.612 5.011 1.916 1.00 0.00 H new ATOM 0 HA SER A 56 -33.717 3.774 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 56 -33.400 6.276 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 56 -31.790 5.873 0.367 1.00 0.00 H new ATOM 0 HG SER A 56 -32.491 4.829 -2.139 1.00 0.00 H new ATOM 709 N MET A 57 -30.907 3.365 -0.667 1.00 0.00 N ATOM 710 CA MET A 57 -29.711 2.537 -0.637 1.00 0.00 C ATOM 711 C MET A 57 -28.474 3.393 -0.398 1.00 0.00 C ATOM 712 O MET A 57 -28.358 4.498 -0.929 1.00 0.00 O ATOM 713 CB MET A 57 -29.566 1.764 -1.949 1.00 0.00 C ATOM 714 CG MET A 57 -30.887 1.257 -2.504 1.00 0.00 C ATOM 715 SD MET A 57 -30.767 0.751 -4.230 1.00 0.00 S ATOM 716 CE MET A 57 -32.499 0.561 -4.647 1.00 0.00 C ATOM 0 H MET A 57 -30.925 4.050 -1.423 1.00 0.00 H new ATOM 0 HA MET A 57 -29.808 1.826 0.183 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.093 2.408 -2.690 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.899 0.917 -1.790 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.228 0.413 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.640 2.039 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.591 0.250 -5.688 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.948 -0.194 -4.001 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.014 1.512 -4.506 1.00 0.00 H new ATOM 726 N VAL A 58 -27.560 2.883 0.415 1.00 0.00 N ATOM 727 CA VAL A 58 -26.337 3.603 0.738 1.00 0.00 C ATOM 728 C VAL A 58 -25.250 2.646 1.207 1.00 0.00 C ATOM 729 O VAL A 58 -25.528 1.504 1.572 1.00 0.00 O ATOM 730 CB VAL A 58 -26.581 4.659 1.829 1.00 0.00 C ATOM 731 CG1 VAL A 58 -27.262 5.888 1.246 1.00 0.00 C ATOM 732 CG2 VAL A 58 -27.408 4.066 2.955 1.00 0.00 C ATOM 0 H VAL A 58 -27.643 1.971 0.864 1.00 0.00 H new ATOM 0 HA VAL A 58 -26.011 4.103 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 58 -25.618 4.970 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -27.425 6.622 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.629 6.322 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -28.220 5.602 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -27.574 4.823 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -28.368 3.729 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -26.877 3.220 3.390 1.00 0.00 H new ATOM 742 N TRP A 59 -24.011 3.122 1.205 1.00 0.00 N ATOM 743 CA TRP A 59 -22.880 2.305 1.620 1.00 0.00 C ATOM 744 C TRP A 59 -22.097 2.972 2.746 1.00 0.00 C ATOM 745 O TRP A 59 -21.600 4.087 2.592 1.00 0.00 O ATOM 746 CB TRP A 59 -21.950 2.061 0.433 1.00 0.00 C ATOM 747 CG TRP A 59 -22.394 0.947 -0.462 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.063 1.066 -1.644 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.171 -0.452 -0.262 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.276 -0.176 -2.192 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.740 -1.126 -1.360 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.552 -1.201 0.741 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.705 -2.514 -1.477 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.517 -2.575 0.621 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.089 -3.217 -0.478 1.00 0.00 C ATOM 0 H TRP A 59 -23.765 4.070 0.920 1.00 0.00 H new ATOM 0 HA TRP A 59 -23.271 1.356 1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.875 2.977 -0.153 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.950 1.839 0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.379 2.000 -2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.755 -0.361 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -21.108 -0.713 1.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.148 -3.016 -2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -21.039 -3.163 1.390 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.044 -4.294 -0.541 1.00 0.00 H new ATOM 766 N ASN A 60 -21.960 2.268 3.864 1.00 0.00 N ATOM 767 CA ASN A 60 -21.195 2.778 4.995 1.00 0.00 C ATOM 768 C ASN A 60 -19.711 2.803 4.643 1.00 0.00 C ATOM 769 O ASN A 60 -19.327 2.247 3.617 1.00 0.00 O ATOM 770 CB ASN A 60 -21.450 1.924 6.231 1.00 0.00 C ATOM 771 CG ASN A 60 -22.361 2.622 7.225 1.00 0.00 C ATOM 772 OD1 ASN A 60 -22.285 3.838 7.404 1.00 0.00 O ATOM 773 ND2 ASN A 60 -23.237 1.861 7.869 1.00 0.00 N ATOM 0 H ASN A 60 -22.368 1.345 4.011 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.515 3.796 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.898 0.977 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.500 1.689 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.880 2.280 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.268 0.857 7.692 1.00 0.00 H new ATOM 780 N PRO A 61 -18.883 3.511 5.453 1.00 0.00 N ATOM 781 CA PRO A 61 -17.444 3.678 5.266 1.00 0.00 C ATOM 782 C PRO A 61 -16.827 2.800 4.183 1.00 0.00 C ATOM 783 O PRO A 61 -16.448 1.656 4.424 1.00 0.00 O ATOM 784 CB PRO A 61 -16.944 3.328 6.662 1.00 0.00 C ATOM 785 CG PRO A 61 -18.034 3.825 7.584 1.00 0.00 C ATOM 786 CD PRO A 61 -19.248 4.134 6.721 1.00 0.00 C ATOM 0 HA PRO A 61 -17.172 4.670 4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -16.789 2.255 6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.991 3.811 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -18.277 3.072 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.707 4.715 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -20.162 3.710 7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -19.413 5.206 6.617 1.00 0.00 H new ATOM 794 N GLU A 62 -16.693 3.378 2.991 1.00 0.00 N ATOM 795 CA GLU A 62 -16.166 2.663 1.837 1.00 0.00 C ATOM 796 C GLU A 62 -14.675 2.944 1.603 1.00 0.00 C ATOM 797 O GLU A 62 -13.824 2.308 2.221 1.00 0.00 O ATOM 798 CB GLU A 62 -16.987 3.014 0.594 1.00 0.00 C ATOM 799 CG GLU A 62 -18.434 2.581 0.673 1.00 0.00 C ATOM 800 CD GLU A 62 -19.273 3.140 -0.460 1.00 0.00 C ATOM 801 OE1 GLU A 62 -19.631 4.335 -0.400 1.00 0.00 O ATOM 802 OE2 GLU A 62 -19.572 2.383 -1.408 1.00 0.00 O ATOM 0 H GLU A 62 -16.945 4.348 2.801 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.252 1.596 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.949 4.092 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.526 2.549 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.485 1.492 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.855 2.904 1.625 1.00 0.00 H new ATOM 809 N ALA A 63 -14.363 3.846 0.669 1.00 0.00 N ATOM 810 CA ALA A 63 -12.979 4.121 0.291 1.00 0.00 C ATOM 811 C ALA A 63 -12.230 4.948 1.333 1.00 0.00 C ATOM 812 O ALA A 63 -12.443 6.156 1.443 1.00 0.00 O ATOM 813 CB ALA A 63 -12.945 4.831 -1.053 1.00 0.00 C ATOM 0 H ALA A 63 -15.054 4.398 0.161 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.470 3.160 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.911 5.034 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.407 4.198 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.493 5.771 -0.982 1.00 0.00 H new ATOM 819 N PRO A 64 -11.280 4.328 2.059 1.00 0.00 N ATOM 820 CA PRO A 64 -10.445 5.016 3.034 1.00 0.00 C ATOM 821 C PRO A 64 -9.210 5.614 2.363 1.00 0.00 C ATOM 822 O PRO A 64 -9.215 5.857 1.157 1.00 0.00 O ATOM 823 CB PRO A 64 -10.044 3.895 4.012 1.00 0.00 C ATOM 824 CG PRO A 64 -10.577 2.619 3.426 1.00 0.00 C ATOM 825 CD PRO A 64 -10.915 2.913 1.993 1.00 0.00 C ATOM 0 HA PRO A 64 -10.954 5.847 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.961 3.848 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.463 4.074 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.836 1.822 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.459 2.281 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.068 2.739 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.736 2.295 1.631 1.00 0.00 H new ATOM 833 N ILE A 65 -8.142 5.816 3.127 1.00 0.00 N ATOM 834 CA ILE A 65 -6.908 6.356 2.569 1.00 0.00 C ATOM 835 C ILE A 65 -5.902 5.242 2.302 1.00 0.00 C ATOM 836 O ILE A 65 -6.015 4.145 2.848 1.00 0.00 O ATOM 837 CB ILE A 65 -6.256 7.404 3.490 1.00 0.00 C ATOM 838 CG1 ILE A 65 -7.310 8.133 4.325 1.00 0.00 C ATOM 839 CG2 ILE A 65 -5.455 8.395 2.666 1.00 0.00 C ATOM 840 CD1 ILE A 65 -8.290 8.934 3.497 1.00 0.00 C ATOM 0 H ILE A 65 -8.105 5.616 4.126 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.183 6.844 1.634 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.583 6.887 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.860 7.403 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.809 8.800 5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.998 9.132 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.675 7.866 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.116 8.900 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.008 9.423 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.751 9.688 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.819 8.269 2.815 1.00 0.00 H new ATOM 852 N CYS A 66 -4.920 5.530 1.457 1.00 0.00 N ATOM 853 CA CYS A 66 -3.892 4.553 1.113 1.00 0.00 C ATOM 854 C CYS A 66 -2.618 5.245 0.651 1.00 0.00 C ATOM 855 O CYS A 66 -2.663 6.212 -0.109 1.00 0.00 O ATOM 856 CB CYS A 66 -4.395 3.611 0.018 1.00 0.00 C ATOM 857 SG CYS A 66 -4.996 2.005 0.635 1.00 0.00 S ATOM 0 H CYS A 66 -4.813 6.434 0.996 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.668 3.973 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.200 4.103 -0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.589 3.436 -0.694 1.00 0.00 H new ATOM 862 N GLU A 67 -1.483 4.740 1.114 1.00 0.00 N ATOM 863 CA GLU A 67 -0.192 5.304 0.750 1.00 0.00 C ATOM 864 C GLU A 67 0.838 4.200 0.545 1.00 0.00 C ATOM 865 O GLU A 67 0.572 3.029 0.815 1.00 0.00 O ATOM 866 CB GLU A 67 0.285 6.270 1.836 1.00 0.00 C ATOM 867 CG GLU A 67 0.607 7.662 1.315 1.00 0.00 C ATOM 868 CD GLU A 67 2.022 8.095 1.645 1.00 0.00 C ATOM 869 OE1 GLU A 67 2.276 8.452 2.815 1.00 0.00 O ATOM 870 OE2 GLU A 67 2.876 8.076 0.734 1.00 0.00 O ATOM 0 H GLU A 67 -1.431 3.939 1.744 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.306 5.849 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.484 6.348 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.173 5.856 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.467 7.683 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.097 8.377 1.741 1.00 0.00 H new ATOM 877 N SER A 68 2.015 4.580 0.068 1.00 0.00 N ATOM 878 CA SER A 68 3.080 3.619 -0.175 1.00 0.00 C ATOM 879 C SER A 68 4.201 3.766 0.846 1.00 0.00 C ATOM 880 O SER A 68 4.787 4.838 0.994 1.00 0.00 O ATOM 881 CB SER A 68 3.634 3.790 -1.594 1.00 0.00 C ATOM 882 OG SER A 68 4.817 4.573 -1.601 1.00 0.00 O ATOM 0 H SER A 68 2.256 5.545 -0.158 1.00 0.00 H new ATOM 0 HA SER A 68 2.659 2.619 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.843 2.811 -2.024 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.881 4.262 -2.225 1.00 0.00 H new ATOM 0 HG SER A 68 4.843 5.133 -0.797 1.00 0.00 H new ATOM 888 N VAL A 69 4.502 2.672 1.535 1.00 0.00 N ATOM 889 CA VAL A 69 5.573 2.659 2.520 1.00 0.00 C ATOM 890 C VAL A 69 6.866 3.196 1.914 1.00 0.00 C ATOM 891 O VAL A 69 7.649 2.446 1.333 1.00 0.00 O ATOM 892 CB VAL A 69 5.819 1.236 3.042 1.00 0.00 C ATOM 893 CG1 VAL A 69 6.066 0.301 1.876 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.642 0.756 3.878 1.00 0.00 C ATOM 0 H VAL A 69 4.017 1.781 1.428 1.00 0.00 H new ATOM 0 HA VAL A 69 5.266 3.297 3.349 1.00 0.00 H new ATOM 0 HB VAL A 69 6.701 1.243 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.240 -0.708 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.196 0.300 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.940 0.638 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.839 -0.254 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.504 1.423 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.739 0.755 3.268 1.00 0.00 H new ATOM 904 N LYS A 70 7.070 4.503 2.032 1.00 0.00 N ATOM 905 CA LYS A 70 8.247 5.148 1.461 1.00 0.00 C ATOM 906 C LYS A 70 9.526 4.743 2.187 1.00 0.00 C ATOM 907 O LYS A 70 9.595 4.781 3.415 1.00 0.00 O ATOM 908 CB LYS A 70 8.090 6.668 1.516 1.00 0.00 C ATOM 909 CG LYS A 70 7.469 7.260 0.263 1.00 0.00 C ATOM 910 CD LYS A 70 8.500 8.010 -0.563 1.00 0.00 C ATOM 911 CE LYS A 70 8.104 8.071 -2.029 1.00 0.00 C ATOM 912 NZ LYS A 70 7.280 9.274 -2.332 1.00 0.00 N ATOM 0 H LYS A 70 6.436 5.137 2.518 1.00 0.00 H new ATOM 0 HA LYS A 70 8.329 4.820 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.474 6.930 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.069 7.121 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.028 6.464 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.660 7.936 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.613 9.022 -0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.470 7.521 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.002 8.081 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.545 7.173 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.031 9.279 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.411 9.253 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.822 10.132 -2.105 1.00 0.00 H new ATOM 926 N CYS A 71 10.547 4.385 1.412 1.00 0.00 N ATOM 927 CA CYS A 71 11.848 4.033 1.969 1.00 0.00 C ATOM 928 C CYS A 71 12.874 5.080 1.568 1.00 0.00 C ATOM 929 O CYS A 71 13.132 5.284 0.382 1.00 0.00 O ATOM 930 CB CYS A 71 12.325 2.651 1.500 1.00 0.00 C ATOM 931 SG CYS A 71 11.068 1.628 0.656 1.00 0.00 S ATOM 0 H CYS A 71 10.497 4.331 0.395 1.00 0.00 H new ATOM 0 HA CYS A 71 11.741 3.999 3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.170 2.788 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.694 2.101 2.365 1.00 0.00 H new ATOM 936 N GLN A 72 13.453 5.748 2.552 1.00 0.00 N ATOM 937 CA GLN A 72 14.441 6.778 2.276 1.00 0.00 C ATOM 938 C GLN A 72 15.723 6.152 1.730 1.00 0.00 C ATOM 939 O GLN A 72 15.701 5.046 1.192 1.00 0.00 O ATOM 940 CB GLN A 72 14.703 7.620 3.535 1.00 0.00 C ATOM 941 CG GLN A 72 15.820 7.107 4.427 1.00 0.00 C ATOM 942 CD GLN A 72 15.444 7.101 5.895 1.00 0.00 C ATOM 943 OE1 GLN A 72 15.802 8.010 6.644 1.00 0.00 O ATOM 944 NE2 GLN A 72 14.716 6.072 6.315 1.00 0.00 N ATOM 0 H GLN A 72 13.258 5.597 3.542 1.00 0.00 H new ATOM 0 HA GLN A 72 14.053 7.449 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.941 8.639 3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.784 7.668 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.087 6.096 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.705 7.727 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.441 5.340 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.432 6.014 7.293 1.00 0.00 H new ATOM 953 N SER A 73 16.831 6.868 1.856 1.00 0.00 N ATOM 954 CA SER A 73 18.106 6.378 1.378 1.00 0.00 C ATOM 955 C SER A 73 18.393 4.985 1.932 1.00 0.00 C ATOM 956 O SER A 73 18.068 4.689 3.082 1.00 0.00 O ATOM 957 CB SER A 73 19.206 7.342 1.800 1.00 0.00 C ATOM 958 OG SER A 73 20.257 7.375 0.851 1.00 0.00 O ATOM 0 H SER A 73 16.868 7.792 2.287 1.00 0.00 H new ATOM 0 HA SER A 73 18.073 6.312 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.789 8.342 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 73 19.600 7.044 2.771 1.00 0.00 H new ATOM 0 HG SER A 73 20.964 6.754 1.125 1.00 0.00 H new ATOM 964 N PRO A 74 19.001 4.105 1.120 1.00 0.00 N ATOM 965 CA PRO A 74 19.330 2.743 1.547 1.00 0.00 C ATOM 966 C PRO A 74 20.286 2.737 2.738 1.00 0.00 C ATOM 967 O PRO A 74 20.990 3.716 2.984 1.00 0.00 O ATOM 968 CB PRO A 74 19.994 2.112 0.317 1.00 0.00 C ATOM 969 CG PRO A 74 19.626 2.993 -0.828 1.00 0.00 C ATOM 970 CD PRO A 74 19.427 4.370 -0.260 1.00 0.00 C ATOM 0 HA PRO A 74 18.446 2.198 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 74 21.076 2.058 0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.640 1.093 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.411 2.995 -1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.717 2.639 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 74 20.346 4.956 -0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.673 4.929 -0.814 1.00 0.00 H new ATOM 978 N PRO A 75 20.313 1.634 3.503 1.00 0.00 N ATOM 979 CA PRO A 75 21.176 1.510 4.678 1.00 0.00 C ATOM 980 C PRO A 75 22.587 2.026 4.425 1.00 0.00 C ATOM 981 O PRO A 75 23.045 2.082 3.284 1.00 0.00 O ATOM 982 CB PRO A 75 21.191 0.006 4.938 1.00 0.00 C ATOM 983 CG PRO A 75 19.870 -0.473 4.441 1.00 0.00 C ATOM 984 CD PRO A 75 19.501 0.421 3.284 1.00 0.00 C ATOM 0 HA PRO A 75 20.812 2.101 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 75 22.013 -0.479 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 75 21.319 -0.212 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.929 -1.514 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 75 19.117 -0.421 5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.732 -0.047 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 75 18.435 0.649 3.279 1.00 0.00 H new ATOM 992 N SER A 76 23.267 2.408 5.500 1.00 0.00 N ATOM 993 CA SER A 76 24.628 2.920 5.404 1.00 0.00 C ATOM 994 C SER A 76 25.631 1.884 5.896 1.00 0.00 C ATOM 995 O SER A 76 25.967 1.842 7.080 1.00 0.00 O ATOM 996 CB SER A 76 24.769 4.210 6.214 1.00 0.00 C ATOM 997 OG SER A 76 26.085 4.728 6.124 1.00 0.00 O ATOM 0 H SER A 76 22.897 2.372 6.450 1.00 0.00 H new ATOM 0 HA SER A 76 24.837 3.135 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.058 4.951 5.850 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.522 4.016 7.258 1.00 0.00 H new ATOM 0 HG SER A 76 26.148 5.553 6.649 1.00 0.00 H new ATOM 1003 N ILE A 77 26.107 1.051 4.979 1.00 0.00 N ATOM 1004 CA ILE A 77 27.064 0.006 5.318 1.00 0.00 C ATOM 1005 C ILE A 77 28.422 0.595 5.678 1.00 0.00 C ATOM 1006 O ILE A 77 28.631 1.805 5.588 1.00 0.00 O ATOM 1007 CB ILE A 77 27.248 -0.985 4.152 1.00 0.00 C ATOM 1008 CG1 ILE A 77 27.850 -0.272 2.937 1.00 0.00 C ATOM 1009 CG2 ILE A 77 25.920 -1.631 3.791 1.00 0.00 C ATOM 1010 CD1 ILE A 77 28.486 -1.213 1.937 1.00 0.00 C ATOM 0 H ILE A 77 25.845 1.079 3.994 1.00 0.00 H new ATOM 0 HA ILE A 77 26.658 -0.522 6.181 1.00 0.00 H new ATOM 0 HB ILE A 77 27.937 -1.769 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 77 27.068 0.301 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 77 28.599 0.442 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 77 26.067 -2.328 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.530 -2.169 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 77 25.210 -0.860 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.891 -0.639 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 77 29.290 -1.768 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.736 -1.911 1.566 1.00 0.00 H new ATOM 1022 N SER A 78 29.346 -0.272 6.077 1.00 0.00 N ATOM 1023 CA SER A 78 30.693 0.155 6.428 1.00 0.00 C ATOM 1024 C SER A 78 31.620 0.032 5.225 1.00 0.00 C ATOM 1025 O SER A 78 31.494 -0.896 4.426 1.00 0.00 O ATOM 1026 CB SER A 78 31.232 -0.683 7.589 1.00 0.00 C ATOM 1027 OG SER A 78 30.343 -0.661 8.692 1.00 0.00 O ATOM 0 H SER A 78 29.185 -1.275 6.165 1.00 0.00 H new ATOM 0 HA SER A 78 30.653 1.200 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 78 31.382 -1.711 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 78 32.206 -0.301 7.896 1.00 0.00 H new ATOM 0 HG SER A 78 30.710 -1.206 9.419 1.00 0.00 H new ATOM 1033 N ASN A 79 32.543 0.975 5.095 1.00 0.00 N ATOM 1034 CA ASN A 79 33.485 0.969 3.985 1.00 0.00 C ATOM 1035 C ASN A 79 32.748 0.981 2.651 1.00 0.00 C ATOM 1036 O ASN A 79 33.238 0.450 1.654 1.00 0.00 O ATOM 1037 CB ASN A 79 34.395 -0.259 4.067 1.00 0.00 C ATOM 1038 CG ASN A 79 34.780 -0.604 5.491 1.00 0.00 C ATOM 1039 OD1 ASN A 79 35.482 0.155 6.159 1.00 0.00 O ATOM 1040 ND2 ASN A 79 34.326 -1.757 5.961 1.00 0.00 N ATOM 0 H ASN A 79 32.659 1.753 5.744 1.00 0.00 H new ATOM 0 HA ASN A 79 34.096 1.869 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 79 33.890 -1.112 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 79 35.298 -0.077 3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 79 34.556 -2.046 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 79 33.747 -2.355 5.372 1.00 0.00 H new ATOM 1047 N GLY A 80 31.567 1.590 2.641 1.00 0.00 N ATOM 1048 CA GLY A 80 30.781 1.661 1.424 1.00 0.00 C ATOM 1049 C GLY A 80 29.456 2.371 1.624 1.00 0.00 C ATOM 1050 O GLY A 80 29.176 2.891 2.704 1.00 0.00 O ATOM 0 H GLY A 80 31.141 2.035 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 80 31.354 2.180 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 80 30.596 0.652 1.056 1.00 0.00 H new ATOM 1054 N ARG A 81 28.644 2.398 0.573 1.00 0.00 N ATOM 1055 CA ARG A 81 27.342 3.046 0.619 1.00 0.00 C ATOM 1056 C ARG A 81 26.543 2.716 -0.631 1.00 0.00 C ATOM 1057 O ARG A 81 26.976 1.922 -1.462 1.00 0.00 O ATOM 1058 CB ARG A 81 27.502 4.562 0.753 1.00 0.00 C ATOM 1059 CG ARG A 81 28.713 5.127 0.027 1.00 0.00 C ATOM 1060 CD ARG A 81 29.118 6.476 0.598 1.00 0.00 C ATOM 1061 NE ARG A 81 29.206 7.507 -0.432 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.763 8.698 -0.235 1.00 0.00 C ATOM 1063 NH1 ARG A 81 30.278 9.004 0.949 1.00 0.00 N ATOM 1064 NH2 ARG A 81 29.807 9.585 -1.220 1.00 0.00 N ATOM 0 H ARG A 81 28.869 1.974 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 81 26.804 2.673 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.604 5.046 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.575 4.816 1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.547 4.430 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.488 5.232 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.394 6.781 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 81 30.082 6.382 1.099 1.00 0.00 H new ATOM 0 HE ARG A 81 28.819 7.302 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 81 30.247 8.325 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.705 9.918 1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 29.413 9.354 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 81 30.235 10.498 -1.066 1.00 0.00 H new ATOM 1078 N HIS A 82 25.377 3.326 -0.761 1.00 0.00 N ATOM 1079 CA HIS A 82 24.526 3.092 -1.919 1.00 0.00 C ATOM 1080 C HIS A 82 24.916 4.011 -3.075 1.00 0.00 C ATOM 1081 O HIS A 82 25.788 4.866 -2.930 1.00 0.00 O ATOM 1082 CB HIS A 82 23.061 3.289 -1.551 1.00 0.00 C ATOM 1083 CG HIS A 82 22.812 4.525 -0.747 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.763 5.784 -1.302 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.618 4.693 0.583 1.00 0.00 C ATOM 1086 CE1 HIS A 82 22.539 6.673 -0.351 1.00 0.00 C ATOM 1087 NE2 HIS A 82 22.447 6.037 0.800 1.00 0.00 N ATOM 0 H HIS A 82 24.997 3.986 -0.082 1.00 0.00 H new ATOM 0 HA HIS A 82 24.667 2.061 -2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.467 3.333 -2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.716 2.422 -0.987 1.00 0.00 H new ATOM 0 HD1 HIS A 82 22.881 5.997 -2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.601 3.915 1.332 1.00 0.00 H new ATOM 0 HE1 HIS A 82 22.447 7.740 -0.492 1.00 0.00 H new ATOM 1096 N ASN A 83 24.280 3.818 -4.229 1.00 0.00 N ATOM 1097 CA ASN A 83 24.596 4.611 -5.414 1.00 0.00 C ATOM 1098 C ASN A 83 23.477 5.587 -5.762 1.00 0.00 C ATOM 1099 O ASN A 83 23.738 6.705 -6.207 1.00 0.00 O ATOM 1100 CB ASN A 83 24.857 3.695 -6.610 1.00 0.00 C ATOM 1101 CG ASN A 83 23.678 2.795 -6.920 1.00 0.00 C ATOM 1102 OD1 ASN A 83 22.931 2.400 -6.027 1.00 0.00 O ATOM 1103 ND2 ASN A 83 23.504 2.468 -8.195 1.00 0.00 N ATOM 0 H ASN A 83 23.547 3.123 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 83 25.492 5.188 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 83 25.086 4.302 -7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.735 3.082 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 83 22.726 1.866 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 83 24.148 2.818 -8.904 1.00 0.00 H new ATOM 1110 N GLY A 84 22.232 5.150 -5.586 1.00 0.00 N ATOM 1111 CA GLY A 84 21.088 5.985 -5.925 1.00 0.00 C ATOM 1112 C GLY A 84 21.266 7.437 -5.526 1.00 0.00 C ATOM 1113 O GLY A 84 21.299 8.323 -6.380 1.00 0.00 O ATOM 0 H GLY A 84 21.993 4.231 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.912 5.930 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.199 5.587 -5.436 1.00 0.00 H new ATOM 1117 N TYR A 85 21.403 7.664 -4.229 1.00 0.00 N ATOM 1118 CA TYR A 85 21.576 8.976 -3.678 1.00 0.00 C ATOM 1119 C TYR A 85 20.327 9.797 -3.889 1.00 0.00 C ATOM 1120 O TYR A 85 20.372 11.025 -3.953 1.00 0.00 O ATOM 1121 CB TYR A 85 22.787 9.636 -4.304 1.00 0.00 C ATOM 1122 CG TYR A 85 24.113 8.994 -3.938 1.00 0.00 C ATOM 1123 CD1 TYR A 85 24.214 8.101 -2.877 1.00 0.00 C ATOM 1124 CD2 TYR A 85 25.264 9.276 -4.664 1.00 0.00 C ATOM 1125 CE1 TYR A 85 25.417 7.513 -2.549 1.00 0.00 C ATOM 1126 CE2 TYR A 85 26.474 8.691 -4.340 1.00 0.00 C ATOM 1127 CZ TYR A 85 26.545 7.810 -3.282 1.00 0.00 C ATOM 1128 OH TYR A 85 27.747 7.225 -2.956 1.00 0.00 O ATOM 0 H TYR A 85 21.395 6.923 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 85 21.746 8.902 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 85 22.676 9.617 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 85 22.810 10.684 -4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 85 23.333 7.864 -2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 85 25.212 9.964 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 85 25.475 6.822 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.360 8.923 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 85 27.619 6.261 -2.834 1.00 0.00 H new ATOM 1138 N GLU A 86 19.201 9.101 -3.975 1.00 0.00 N ATOM 1139 CA GLU A 86 17.930 9.754 -4.128 1.00 0.00 C ATOM 1140 C GLU A 86 17.465 10.273 -2.776 1.00 0.00 C ATOM 1141 O GLU A 86 18.241 10.298 -1.821 1.00 0.00 O ATOM 1142 CB GLU A 86 16.904 8.788 -4.723 1.00 0.00 C ATOM 1143 CG GLU A 86 16.639 9.021 -6.200 1.00 0.00 C ATOM 1144 CD GLU A 86 15.175 9.280 -6.499 1.00 0.00 C ATOM 1145 OE1 GLU A 86 14.803 10.460 -6.665 1.00 0.00 O ATOM 1146 OE2 GLU A 86 14.402 8.301 -6.567 1.00 0.00 O ATOM 0 H GLU A 86 19.153 8.083 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 86 18.034 10.595 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.255 7.766 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.967 8.882 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.231 9.870 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.973 8.152 -6.766 1.00 0.00 H new ATOM 1153 N ASP A 87 16.206 10.671 -2.677 1.00 0.00 N ATOM 1154 CA ASP A 87 15.689 11.168 -1.414 1.00 0.00 C ATOM 1155 C ASP A 87 14.650 10.225 -0.836 1.00 0.00 C ATOM 1156 O ASP A 87 14.421 10.206 0.374 1.00 0.00 O ATOM 1157 CB ASP A 87 15.092 12.566 -1.587 1.00 0.00 C ATOM 1158 CG ASP A 87 16.153 13.627 -1.802 1.00 0.00 C ATOM 1159 OD1 ASP A 87 17.241 13.283 -2.310 1.00 0.00 O ATOM 1160 OD2 ASP A 87 15.896 14.801 -1.464 1.00 0.00 O ATOM 0 H ASP A 87 15.533 10.660 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 87 16.524 11.226 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.408 12.563 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.504 12.818 -0.705 1.00 0.00 H new ATOM 1165 N PHE A 88 14.040 9.425 -1.696 1.00 0.00 N ATOM 1166 CA PHE A 88 13.024 8.494 -1.258 1.00 0.00 C ATOM 1167 C PHE A 88 12.837 7.359 -2.254 1.00 0.00 C ATOM 1168 O PHE A 88 13.210 7.468 -3.422 1.00 0.00 O ATOM 1169 CB PHE A 88 11.711 9.233 -1.055 1.00 0.00 C ATOM 1170 CG PHE A 88 11.556 9.785 0.325 1.00 0.00 C ATOM 1171 CD1 PHE A 88 11.201 8.955 1.372 1.00 0.00 C ATOM 1172 CD2 PHE A 88 11.791 11.124 0.582 1.00 0.00 C ATOM 1173 CE1 PHE A 88 11.066 9.451 2.649 1.00 0.00 C ATOM 1174 CE2 PHE A 88 11.658 11.629 1.859 1.00 0.00 C ATOM 1175 CZ PHE A 88 11.294 10.792 2.896 1.00 0.00 C ATOM 0 H PHE A 88 14.233 9.405 -2.697 1.00 0.00 H new ATOM 0 HA PHE A 88 13.349 8.054 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.645 10.048 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.883 8.555 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.028 7.905 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.081 11.780 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.782 8.793 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.838 12.677 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.188 11.184 3.897 1.00 0.00 H new ATOM 1185 N TYR A 89 12.262 6.267 -1.772 1.00 0.00 N ATOM 1186 CA TYR A 89 12.007 5.098 -2.600 1.00 0.00 C ATOM 1187 C TYR A 89 10.671 4.468 -2.217 1.00 0.00 C ATOM 1188 O TYR A 89 10.092 4.809 -1.185 1.00 0.00 O ATOM 1189 CB TYR A 89 13.140 4.078 -2.445 1.00 0.00 C ATOM 1190 CG TYR A 89 14.503 4.604 -2.847 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.153 5.585 -2.101 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.147 4.100 -3.968 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.405 6.052 -2.471 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.396 4.557 -4.341 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.020 5.532 -3.592 1.00 0.00 C ATOM 1196 OH TYR A 89 18.266 5.985 -3.963 1.00 0.00 O ATOM 0 H TYR A 89 11.961 6.166 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 89 11.963 5.410 -3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.180 3.750 -1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.909 3.199 -3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.674 5.988 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.663 3.337 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.895 6.817 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.882 4.152 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 89 18.948 5.348 -3.664 1.00 0.00 H new ATOM 1206 N THR A 90 10.175 3.562 -3.052 1.00 0.00 N ATOM 1207 CA THR A 90 8.890 2.919 -2.791 1.00 0.00 C ATOM 1208 C THR A 90 9.004 1.399 -2.837 1.00 0.00 C ATOM 1209 O THR A 90 10.023 0.853 -3.258 1.00 0.00 O ATOM 1210 CB THR A 90 7.847 3.391 -3.805 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.394 3.417 -5.111 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.305 4.771 -3.504 1.00 0.00 C ATOM 0 H THR A 90 10.637 3.257 -3.909 1.00 0.00 H new ATOM 0 HA THR A 90 8.576 3.204 -1.787 1.00 0.00 H new ATOM 0 HB THR A 90 7.029 2.674 -3.736 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.711 3.720 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.570 5.046 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.832 4.770 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.122 5.493 -3.512 1.00 0.00 H new ATOM 1220 N ASP A 91 7.946 0.722 -2.403 1.00 0.00 N ATOM 1221 CA ASP A 91 7.917 -0.731 -2.403 1.00 0.00 C ATOM 1222 C ASP A 91 8.125 -1.270 -3.802 1.00 0.00 C ATOM 1223 O ASP A 91 7.209 -1.294 -4.625 1.00 0.00 O ATOM 1224 CB ASP A 91 6.600 -1.252 -1.839 1.00 0.00 C ATOM 1225 CG ASP A 91 6.791 -2.003 -0.537 1.00 0.00 C ATOM 1226 OD1 ASP A 91 7.427 -1.446 0.379 1.00 0.00 O ATOM 1227 OD2 ASP A 91 6.317 -3.154 -0.440 1.00 0.00 O ATOM 0 H ASP A 91 7.097 1.160 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 91 8.730 -1.078 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.920 -0.416 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.129 -1.909 -2.570 1.00 0.00 H new ATOM 1232 N GLY A 92 9.340 -1.698 -4.054 1.00 0.00 N ATOM 1233 CA GLY A 92 9.683 -2.254 -5.343 1.00 0.00 C ATOM 1234 C GLY A 92 10.845 -1.539 -6.004 1.00 0.00 C ATOM 1235 O GLY A 92 11.084 -1.714 -7.199 1.00 0.00 O ATOM 0 H GLY A 92 10.108 -1.672 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.932 -3.308 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.813 -2.204 -5.998 1.00 0.00 H new ATOM 1239 N SER A 93 11.571 -0.729 -5.236 1.00 0.00 N ATOM 1240 CA SER A 93 12.724 -0.018 -5.776 1.00 0.00 C ATOM 1241 C SER A 93 14.004 -0.787 -5.483 1.00 0.00 C ATOM 1242 O SER A 93 14.041 -1.627 -4.584 1.00 0.00 O ATOM 1243 CB SER A 93 12.818 1.401 -5.204 1.00 0.00 C ATOM 1244 OG SER A 93 11.543 1.888 -4.829 1.00 0.00 O ATOM 0 H SER A 93 11.383 -0.551 -4.249 1.00 0.00 H new ATOM 0 HA SER A 93 12.595 0.059 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.480 1.404 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.260 2.066 -5.946 1.00 0.00 H new ATOM 0 HG SER A 93 11.255 1.448 -4.002 1.00 0.00 H new ATOM 1250 N VAL A 94 15.043 -0.516 -6.259 1.00 0.00 N ATOM 1251 CA VAL A 94 16.317 -1.197 -6.085 1.00 0.00 C ATOM 1252 C VAL A 94 17.476 -0.208 -6.124 1.00 0.00 C ATOM 1253 O VAL A 94 17.366 0.877 -6.695 1.00 0.00 O ATOM 1254 CB VAL A 94 16.526 -2.283 -7.162 1.00 0.00 C ATOM 1255 CG1 VAL A 94 15.444 -3.346 -7.058 1.00 0.00 C ATOM 1256 CG2 VAL A 94 17.908 -2.915 -7.043 1.00 0.00 C ATOM 0 H VAL A 94 15.029 0.170 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 94 16.293 -1.677 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 94 16.457 -1.807 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 94 15.605 -4.105 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 94 15.484 -3.811 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 94 14.467 -2.886 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.028 -3.676 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 94 18.671 -2.147 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.015 -3.374 -6.060 1.00 0.00 H new ATOM 1266 N VAL A 95 18.585 -0.597 -5.510 1.00 0.00 N ATOM 1267 CA VAL A 95 19.773 0.242 -5.466 1.00 0.00 C ATOM 1268 C VAL A 95 21.032 -0.612 -5.432 1.00 0.00 C ATOM 1269 O VAL A 95 21.010 -1.747 -4.956 1.00 0.00 O ATOM 1270 CB VAL A 95 19.757 1.170 -4.239 1.00 0.00 C ATOM 1271 CG1 VAL A 95 20.938 2.123 -4.266 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.451 1.940 -4.174 1.00 0.00 C ATOM 0 H VAL A 95 18.686 -1.493 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 95 19.772 0.853 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 95 19.841 0.553 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.905 2.769 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 95 21.866 1.552 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 20.892 2.734 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.456 2.592 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.339 2.542 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.619 1.240 -4.100 1.00 0.00 H new ATOM 1282 N THR A 96 22.125 -0.068 -5.949 1.00 0.00 N ATOM 1283 CA THR A 96 23.387 -0.792 -5.979 1.00 0.00 C ATOM 1284 C THR A 96 24.407 -0.149 -5.051 1.00 0.00 C ATOM 1285 O THR A 96 24.746 1.026 -5.195 1.00 0.00 O ATOM 1286 CB THR A 96 23.930 -0.855 -7.407 1.00 0.00 C ATOM 1287 OG1 THR A 96 23.164 -0.034 -8.270 1.00 0.00 O ATOM 1288 CG2 THR A 96 23.929 -2.253 -7.984 1.00 0.00 C ATOM 0 H THR A 96 22.163 0.868 -6.352 1.00 0.00 H new ATOM 0 HA THR A 96 23.204 -1.808 -5.628 1.00 0.00 H new ATOM 0 HB THR A 96 24.961 -0.506 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 96 23.527 -0.086 -9.179 1.00 0.00 H new ATOM 0 HG21 THR A 96 24.326 -2.228 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 96 24.551 -2.902 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.909 -2.638 -8.003 1.00 0.00 H new ATOM 1296 N TYR A 97 24.881 -0.930 -4.092 1.00 0.00 N ATOM 1297 CA TYR A 97 25.845 -0.449 -3.117 1.00 0.00 C ATOM 1298 C TYR A 97 27.259 -0.454 -3.679 1.00 0.00 C ATOM 1299 O TYR A 97 27.575 -1.206 -4.600 1.00 0.00 O ATOM 1300 CB TYR A 97 25.779 -1.305 -1.855 1.00 0.00 C ATOM 1301 CG TYR A 97 24.734 -0.845 -0.870 1.00 0.00 C ATOM 1302 CD1 TYR A 97 25.056 -0.642 0.463 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.424 -0.620 -1.273 1.00 0.00 C ATOM 1304 CE1 TYR A 97 24.103 -0.225 1.371 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.466 -0.201 -0.372 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.809 -0.006 0.949 1.00 0.00 C ATOM 1307 OH TYR A 97 21.856 0.409 1.850 1.00 0.00 O ATOM 0 H TYR A 97 24.611 -1.906 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 97 25.589 0.582 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.572 -2.338 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.754 -1.297 -1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 97 26.069 -0.813 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.151 -0.775 -2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 97 24.370 -0.071 2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.452 -0.027 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 97 22.123 1.270 2.235 1.00 0.00 H new ATOM 1317 N SER A 98 28.106 0.397 -3.116 1.00 0.00 N ATOM 1318 CA SER A 98 29.492 0.501 -3.561 1.00 0.00 C ATOM 1319 C SER A 98 30.401 0.996 -2.439 1.00 0.00 C ATOM 1320 O SER A 98 30.012 1.851 -1.643 1.00 0.00 O ATOM 1321 CB SER A 98 29.592 1.443 -4.764 1.00 0.00 C ATOM 1322 OG SER A 98 29.291 2.777 -4.395 1.00 0.00 O ATOM 0 H SER A 98 27.860 1.025 -2.351 1.00 0.00 H new ATOM 0 HA SER A 98 29.824 -0.495 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.597 1.397 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.906 1.115 -5.545 1.00 0.00 H new ATOM 0 HG SER A 98 29.364 3.358 -5.181 1.00 0.00 H new ATOM 1328 N CYS A 99 31.624 0.473 -2.403 1.00 0.00 N ATOM 1329 CA CYS A 99 32.594 0.854 -1.384 1.00 0.00 C ATOM 1330 C CYS A 99 33.074 2.286 -1.580 1.00 0.00 C ATOM 1331 O CYS A 99 32.903 2.871 -2.649 1.00 0.00 O ATOM 1332 CB CYS A 99 33.792 -0.087 -1.427 1.00 0.00 C ATOM 1333 SG CYS A 99 33.351 -1.843 -1.626 1.00 0.00 S ATOM 0 H CYS A 99 31.966 -0.218 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 99 32.101 0.784 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.443 0.209 -2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 99 34.366 0.031 -0.508 1.00 0.00 H new ATOM 1338 N ASN A 100 33.707 2.830 -0.546 1.00 0.00 N ATOM 1339 CA ASN A 100 34.234 4.185 -0.597 1.00 0.00 C ATOM 1340 C ASN A 100 35.696 4.184 -1.035 1.00 0.00 C ATOM 1341 O ASN A 100 36.029 4.658 -2.121 1.00 0.00 O ATOM 1342 CB ASN A 100 34.104 4.844 0.775 1.00 0.00 C ATOM 1343 CG ASN A 100 32.705 4.716 1.345 1.00 0.00 C ATOM 1344 OD1 ASN A 100 31.718 4.989 0.662 1.00 0.00 O ATOM 1345 ND2 ASN A 100 32.613 4.289 2.599 1.00 0.00 N ATOM 0 H ASN A 100 33.867 2.350 0.340 1.00 0.00 H new ATOM 0 HA ASN A 100 33.657 4.751 -1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 100 34.817 4.390 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 100 34.366 5.899 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 100 31.697 4.176 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 100 33.458 4.074 3.128 1.00 0.00 H new ATOM 1352 N SER A 101 36.562 3.644 -0.183 1.00 0.00 N ATOM 1353 CA SER A 101 37.990 3.584 -0.475 1.00 0.00 C ATOM 1354 C SER A 101 38.286 2.578 -1.584 1.00 0.00 C ATOM 1355 O SER A 101 39.200 2.775 -2.385 1.00 0.00 O ATOM 1356 CB SER A 101 38.771 3.209 0.787 1.00 0.00 C ATOM 1357 OG SER A 101 39.901 4.047 0.956 1.00 0.00 O ATOM 0 H SER A 101 36.299 3.241 0.716 1.00 0.00 H new ATOM 0 HA SER A 101 38.304 4.571 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 101 38.121 3.290 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 101 39.092 2.169 0.724 1.00 0.00 H new ATOM 0 HG SER A 101 40.382 3.788 1.770 1.00 0.00 H new ATOM 1363 N GLY A 102 37.517 1.495 -1.618 1.00 0.00 N ATOM 1364 CA GLY A 102 37.715 0.476 -2.631 1.00 0.00 C ATOM 1365 C GLY A 102 37.715 -0.925 -2.052 1.00 0.00 C ATOM 1366 O GLY A 102 38.552 -1.754 -2.410 1.00 0.00 O ATOM 0 H GLY A 102 36.760 1.305 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.928 0.556 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.661 0.655 -3.142 1.00 0.00 H new ATOM 1370 N TYR A 103 36.770 -1.188 -1.157 1.00 0.00 N ATOM 1371 CA TYR A 103 36.648 -2.490 -0.523 1.00 0.00 C ATOM 1372 C TYR A 103 35.974 -3.484 -1.462 1.00 0.00 C ATOM 1373 O TYR A 103 35.756 -3.193 -2.637 1.00 0.00 O ATOM 1374 CB TYR A 103 35.837 -2.351 0.766 1.00 0.00 C ATOM 1375 CG TYR A 103 36.688 -2.162 2.001 1.00 0.00 C ATOM 1376 CD1 TYR A 103 36.954 -3.225 2.853 1.00 0.00 C ATOM 1377 CD2 TYR A 103 37.228 -0.920 2.312 1.00 0.00 C ATOM 1378 CE1 TYR A 103 37.725 -3.055 3.986 1.00 0.00 C ATOM 1379 CE2 TYR A 103 38.005 -0.743 3.441 1.00 0.00 C ATOM 1380 CZ TYR A 103 38.255 -1.814 4.272 1.00 0.00 C ATOM 1381 OH TYR A 103 39.030 -1.643 5.395 1.00 0.00 O ATOM 0 H TYR A 103 36.073 -0.508 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 103 37.644 -2.865 -0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 103 35.159 -1.503 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 103 35.219 -3.240 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 103 36.551 -4.201 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 103 37.037 -0.080 1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 103 37.912 -3.890 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 103 38.414 0.230 3.671 1.00 0.00 H new ATOM 0 HH TYR A 103 39.326 -0.710 5.449 1.00 0.00 H new ATOM 1391 N SER A 104 35.639 -4.656 -0.935 1.00 0.00 N ATOM 1392 CA SER A 104 34.971 -5.682 -1.724 1.00 0.00 C ATOM 1393 C SER A 104 33.557 -5.913 -1.210 1.00 0.00 C ATOM 1394 O SER A 104 33.352 -6.622 -0.225 1.00 0.00 O ATOM 1395 CB SER A 104 35.761 -6.990 -1.681 1.00 0.00 C ATOM 1396 OG SER A 104 37.152 -6.744 -1.578 1.00 0.00 O ATOM 0 H SER A 104 35.819 -4.918 0.034 1.00 0.00 H new ATOM 0 HA SER A 104 34.918 -5.337 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 104 35.431 -7.590 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 104 35.557 -7.571 -2.580 1.00 0.00 H new ATOM 0 HG SER A 104 37.634 -7.597 -1.551 1.00 0.00 H new ATOM 1402 N LEU A 105 32.584 -5.302 -1.877 1.00 0.00 N ATOM 1403 CA LEU A 105 31.199 -5.419 -1.486 1.00 0.00 C ATOM 1404 C LEU A 105 30.807 -6.867 -1.281 1.00 0.00 C ATOM 1405 O LEU A 105 31.277 -7.766 -1.978 1.00 0.00 O ATOM 1406 CB LEU A 105 30.293 -4.773 -2.527 1.00 0.00 C ATOM 1407 CG LEU A 105 29.218 -3.859 -1.943 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.332 -2.467 -2.528 1.00 0.00 C ATOM 1409 CD2 LEU A 105 27.835 -4.439 -2.182 1.00 0.00 C ATOM 0 H LEU A 105 32.740 -4.717 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 105 31.076 -4.896 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 105 30.907 -4.196 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 105 29.809 -5.558 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 105 29.371 -3.788 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.559 -1.828 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.313 -2.054 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.206 -2.515 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.083 -3.773 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.665 -4.544 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.763 -5.417 -1.706 1.00 0.00 H new ATOM 1421 N ILE A 106 29.944 -7.071 -0.311 1.00 0.00 N ATOM 1422 CA ILE A 106 29.489 -8.393 0.052 1.00 0.00 C ATOM 1423 C ILE A 106 27.976 -8.501 -0.068 1.00 0.00 C ATOM 1424 O ILE A 106 27.279 -7.495 -0.100 1.00 0.00 O ATOM 1425 CB ILE A 106 29.894 -8.706 1.495 1.00 0.00 C ATOM 1426 CG1 ILE A 106 31.401 -8.530 1.672 1.00 0.00 C ATOM 1427 CG2 ILE A 106 29.464 -10.107 1.875 1.00 0.00 C ATOM 1428 CD1 ILE A 106 32.220 -9.580 0.961 1.00 0.00 C ATOM 0 H ILE A 106 29.537 -6.322 0.249 1.00 0.00 H new ATOM 0 HA ILE A 106 29.951 -9.106 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 106 29.388 -8.006 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 106 31.689 -7.545 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 106 31.639 -8.554 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.760 -10.312 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 106 28.381 -10.192 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.941 -10.827 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 106 33.280 -9.391 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 106 31.960 -10.566 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 106 32.012 -9.542 -0.108 1.00 0.00 H new ATOM 1440 N GLY A 107 27.472 -9.725 -0.123 1.00 0.00 N ATOM 1441 CA GLY A 107 26.035 -9.930 -0.208 1.00 0.00 C ATOM 1442 C GLY A 107 25.370 -9.066 -1.256 1.00 0.00 C ATOM 1443 O GLY A 107 24.339 -8.454 -1.002 1.00 0.00 O ATOM 0 H GLY A 107 28.028 -10.580 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.837 -10.978 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 107 25.587 -9.721 0.763 1.00 0.00 H new ATOM 1447 N ASN A 108 25.993 -9.037 -2.417 1.00 0.00 N ATOM 1448 CA ASN A 108 25.515 -8.313 -3.601 1.00 0.00 C ATOM 1449 C ASN A 108 25.057 -6.882 -3.315 1.00 0.00 C ATOM 1450 O ASN A 108 24.189 -6.629 -2.482 1.00 0.00 O ATOM 1451 CB ASN A 108 24.399 -9.098 -4.278 1.00 0.00 C ATOM 1452 CG ASN A 108 23.346 -9.560 -3.299 1.00 0.00 C ATOM 1453 OD1 ASN A 108 23.222 -10.752 -3.015 1.00 0.00 O ATOM 1454 ND2 ASN A 108 22.587 -8.615 -2.768 1.00 0.00 N ATOM 0 H ASN A 108 26.873 -9.528 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 108 26.373 -8.224 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 108 23.933 -8.476 -5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.824 -9.964 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 108 21.863 -8.862 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 108 22.726 -7.640 -3.033 1.00 0.00 H new ATOM 1461 N SER A 109 25.600 -5.959 -4.097 1.00 0.00 N ATOM 1462 CA SER A 109 25.275 -4.542 -3.988 1.00 0.00 C ATOM 1463 C SER A 109 23.771 -4.295 -4.102 1.00 0.00 C ATOM 1464 O SER A 109 23.238 -3.368 -3.493 1.00 0.00 O ATOM 1465 CB SER A 109 26.034 -3.769 -5.075 1.00 0.00 C ATOM 1466 OG SER A 109 25.215 -2.809 -5.718 1.00 0.00 O ATOM 0 H SER A 109 26.280 -6.172 -4.827 1.00 0.00 H new ATOM 0 HA SER A 109 25.581 -4.190 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.895 -3.270 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.419 -4.470 -5.815 1.00 0.00 H new ATOM 0 HG SER A 109 25.770 -2.233 -6.284 1.00 0.00 H new ATOM 1472 N GLY A 110 23.100 -5.113 -4.899 1.00 0.00 N ATOM 1473 CA GLY A 110 21.672 -4.946 -5.103 1.00 0.00 C ATOM 1474 C GLY A 110 20.878 -4.950 -3.808 1.00 0.00 C ATOM 1475 O GLY A 110 21.029 -5.847 -2.979 1.00 0.00 O ATOM 0 H GLY A 110 23.517 -5.891 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 110 21.494 -4.007 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.308 -5.746 -5.748 1.00 0.00 H new ATOM 1479 N VAL A 111 20.018 -3.947 -3.646 1.00 0.00 N ATOM 1480 CA VAL A 111 19.158 -3.846 -2.470 1.00 0.00 C ATOM 1481 C VAL A 111 17.707 -3.679 -2.899 1.00 0.00 C ATOM 1482 O VAL A 111 17.432 -3.128 -3.963 1.00 0.00 O ATOM 1483 CB VAL A 111 19.550 -2.668 -1.560 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.026 -2.883 -0.147 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.055 -2.467 -1.552 1.00 0.00 C ATOM 0 H VAL A 111 19.898 -3.189 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 111 19.283 -4.768 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 111 19.092 -1.764 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.314 -2.039 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.939 -2.964 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.449 -3.800 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.307 -1.629 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.541 -3.371 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.399 -2.257 -2.565 1.00 0.00 H new ATOM 1495 N LEU A 112 16.780 -4.163 -2.082 1.00 0.00 N ATOM 1496 CA LEU A 112 15.364 -4.067 -2.416 1.00 0.00 C ATOM 1497 C LEU A 112 14.633 -3.105 -1.492 1.00 0.00 C ATOM 1498 O LEU A 112 14.601 -3.296 -0.276 1.00 0.00 O ATOM 1499 CB LEU A 112 14.699 -5.444 -2.347 1.00 0.00 C ATOM 1500 CG LEU A 112 13.170 -5.426 -2.464 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.591 -6.801 -2.171 1.00 0.00 C ATOM 1502 CD2 LEU A 112 12.748 -4.950 -3.846 1.00 0.00 C ATOM 0 H LEU A 112 16.979 -4.621 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 112 15.299 -3.683 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.103 -6.068 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.972 -5.917 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 112 12.778 -4.728 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.505 -6.765 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.990 -7.523 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.863 -7.102 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.660 -4.943 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.128 -3.943 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.153 -5.623 -4.602 1.00 0.00 H new ATOM 1514 N CYS A 113 14.011 -2.092 -2.082 1.00 0.00 N ATOM 1515 CA CYS A 113 13.218 -1.141 -1.324 1.00 0.00 C ATOM 1516 C CYS A 113 11.792 -1.657 -1.197 1.00 0.00 C ATOM 1517 O CYS A 113 11.009 -1.578 -2.147 1.00 0.00 O ATOM 1518 CB CYS A 113 13.215 0.220 -2.013 1.00 0.00 C ATOM 1519 SG CYS A 113 12.030 1.416 -1.313 1.00 0.00 S ATOM 0 H CYS A 113 14.042 -1.910 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 113 13.656 -1.027 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.217 0.645 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 113 12.988 0.078 -3.070 1.00 0.00 H new ATOM 1524 N SER A 114 11.479 -2.222 -0.038 1.00 0.00 N ATOM 1525 CA SER A 114 10.158 -2.784 0.208 1.00 0.00 C ATOM 1526 C SER A 114 9.797 -2.703 1.687 1.00 0.00 C ATOM 1527 O SER A 114 10.631 -2.359 2.524 1.00 0.00 O ATOM 1528 CB SER A 114 10.110 -4.241 -0.258 1.00 0.00 C ATOM 1529 OG SER A 114 9.297 -4.382 -1.410 1.00 0.00 O ATOM 0 H SER A 114 12.124 -2.303 0.748 1.00 0.00 H new ATOM 0 HA SER A 114 9.431 -2.200 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.119 -4.589 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.722 -4.870 0.544 1.00 0.00 H new ATOM 0 HG SER A 114 9.284 -5.322 -1.688 1.00 0.00 H new ATOM 1535 N GLY A 115 8.545 -3.020 1.999 1.00 0.00 N ATOM 1536 CA GLY A 115 8.083 -2.979 3.375 1.00 0.00 C ATOM 1537 C GLY A 115 8.492 -1.708 4.097 1.00 0.00 C ATOM 1538 O GLY A 115 8.615 -1.696 5.322 1.00 0.00 O ATOM 0 H GLY A 115 7.839 -3.306 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.997 -3.067 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.480 -3.840 3.912 1.00 0.00 H new ATOM 1542 N GLY A 116 8.698 -0.635 3.339 1.00 0.00 N ATOM 1543 CA GLY A 116 9.106 0.623 3.936 1.00 0.00 C ATOM 1544 C GLY A 116 10.536 0.583 4.441 1.00 0.00 C ATOM 1545 O GLY A 116 10.934 1.406 5.266 1.00 0.00 O ATOM 0 H GLY A 116 8.590 -0.615 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.005 1.421 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.438 0.864 4.763 1.00 0.00 H new ATOM 1549 N GLU A 117 11.308 -0.380 3.946 1.00 0.00 N ATOM 1550 CA GLU A 117 12.700 -0.531 4.343 1.00 0.00 C ATOM 1551 C GLU A 117 13.504 -1.191 3.231 1.00 0.00 C ATOM 1552 O GLU A 117 12.981 -1.468 2.152 1.00 0.00 O ATOM 1553 CB GLU A 117 12.802 -1.360 5.623 1.00 0.00 C ATOM 1554 CG GLU A 117 12.527 -0.561 6.886 1.00 0.00 C ATOM 1555 CD GLU A 117 13.366 -1.020 8.062 1.00 0.00 C ATOM 1556 OE1 GLU A 117 13.863 -2.166 8.026 1.00 0.00 O ATOM 1557 OE2 GLU A 117 13.527 -0.234 9.020 1.00 0.00 O ATOM 0 H GLU A 117 10.989 -1.070 3.266 1.00 0.00 H new ATOM 0 HA GLU A 117 13.111 0.461 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.097 -2.189 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.800 -1.794 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 117 12.724 0.494 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.471 -0.647 7.143 1.00 0.00 H new ATOM 1564 N TRP A 118 14.777 -1.445 3.502 1.00 0.00 N ATOM 1565 CA TRP A 118 15.656 -2.061 2.522 1.00 0.00 C ATOM 1566 C TRP A 118 16.043 -3.471 2.944 1.00 0.00 C ATOM 1567 O TRP A 118 16.531 -3.687 4.053 1.00 0.00 O ATOM 1568 CB TRP A 118 16.902 -1.203 2.338 1.00 0.00 C ATOM 1569 CG TRP A 118 16.601 0.128 1.732 1.00 0.00 C ATOM 1570 CD1 TRP A 118 16.267 1.272 2.394 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.579 0.447 0.339 1.00 0.00 C ATOM 1572 NE1 TRP A 118 16.053 2.288 1.497 1.00 0.00 N ATOM 1573 CE2 TRP A 118 16.237 1.806 0.228 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.823 -0.285 -0.826 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 16.133 2.449 -1.001 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.719 0.353 -2.046 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.379 1.709 -2.124 1.00 0.00 C ATOM 0 H TRP A 118 15.223 -1.233 4.394 1.00 0.00 H new ATOM 0 HA TRP A 118 15.123 -2.130 1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 118 17.383 -1.057 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.613 -1.733 1.705 1.00 0.00 H new ATOM 0 HD1 TRP A 118 16.183 1.365 3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 118 15.798 3.246 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.088 -1.331 -0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.868 3.494 -1.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.903 -0.202 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.310 2.181 -3.093 1.00 0.00 H new ATOM 1588 N SER A 119 15.815 -4.428 2.053 1.00 0.00 N ATOM 1589 CA SER A 119 16.125 -5.820 2.338 1.00 0.00 C ATOM 1590 C SER A 119 17.370 -6.274 1.586 1.00 0.00 C ATOM 1591 O SER A 119 17.784 -5.649 0.608 1.00 0.00 O ATOM 1592 CB SER A 119 14.939 -6.712 1.965 1.00 0.00 C ATOM 1593 OG SER A 119 13.942 -5.976 1.276 1.00 0.00 O ATOM 0 H SER A 119 15.417 -4.264 1.128 1.00 0.00 H new ATOM 0 HA SER A 119 16.321 -5.907 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.283 -7.537 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.513 -7.151 2.867 1.00 0.00 H new ATOM 0 HG SER A 119 13.196 -6.570 1.048 1.00 0.00 H new ATOM 1599 N ASP A 120 17.958 -7.367 2.059 1.00 0.00 N ATOM 1600 CA ASP A 120 19.148 -7.944 1.445 1.00 0.00 C ATOM 1601 C ASP A 120 20.230 -6.899 1.175 1.00 0.00 C ATOM 1602 O ASP A 120 20.844 -6.898 0.108 1.00 0.00 O ATOM 1603 CB ASP A 120 18.779 -8.663 0.143 1.00 0.00 C ATOM 1604 CG ASP A 120 18.398 -7.705 -0.968 1.00 0.00 C ATOM 1605 OD1 ASP A 120 19.298 -7.284 -1.724 1.00 0.00 O ATOM 1606 OD2 ASP A 120 17.198 -7.377 -1.082 1.00 0.00 O ATOM 0 H ASP A 120 17.624 -7.877 2.877 1.00 0.00 H new ATOM 0 HA ASP A 120 19.558 -8.661 2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 120 19.622 -9.272 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 120 17.948 -9.343 0.331 1.00 0.00 H new ATOM 1611 N PRO A 121 20.521 -6.024 2.154 1.00 0.00 N ATOM 1612 CA PRO A 121 21.592 -5.033 2.023 1.00 0.00 C ATOM 1613 C PRO A 121 22.959 -5.710 2.049 1.00 0.00 C ATOM 1614 O PRO A 121 23.114 -6.766 2.664 1.00 0.00 O ATOM 1615 CB PRO A 121 21.405 -4.136 3.246 1.00 0.00 C ATOM 1616 CG PRO A 121 20.738 -5.010 4.254 1.00 0.00 C ATOM 1617 CD PRO A 121 19.874 -5.969 3.476 1.00 0.00 C ATOM 0 HA PRO A 121 21.548 -4.481 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 121 22.361 -3.764 3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.793 -3.265 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.475 -5.547 4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 121 20.138 -4.418 4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.841 -6.951 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.846 -5.615 3.405 1.00 0.00 H new ATOM 1625 N PRO A 122 23.969 -5.141 1.373 1.00 0.00 N ATOM 1626 CA PRO A 122 25.283 -5.750 1.288 1.00 0.00 C ATOM 1627 C PRO A 122 26.275 -5.228 2.311 1.00 0.00 C ATOM 1628 O PRO A 122 25.986 -4.320 3.090 1.00 0.00 O ATOM 1629 CB PRO A 122 25.741 -5.357 -0.113 1.00 0.00 C ATOM 1630 CG PRO A 122 25.010 -4.090 -0.443 1.00 0.00 C ATOM 1631 CD PRO A 122 23.905 -3.911 0.572 1.00 0.00 C ATOM 0 HA PRO A 122 25.232 -6.821 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 122 26.820 -5.205 -0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 122 25.509 -6.141 -0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.691 -3.240 -0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.598 -4.139 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 122 24.064 -3.024 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 122 22.934 -3.796 0.091 1.00 0.00 H new ATOM 1639 N THR A 123 27.460 -5.817 2.272 1.00 0.00 N ATOM 1640 CA THR A 123 28.568 -5.409 3.121 1.00 0.00 C ATOM 1641 C THR A 123 29.714 -4.965 2.253 1.00 0.00 C ATOM 1642 O THR A 123 29.519 -4.623 1.090 1.00 0.00 O ATOM 1643 CB THR A 123 29.003 -6.548 4.047 1.00 0.00 C ATOM 1644 OG1 THR A 123 28.145 -7.667 3.901 1.00 0.00 O ATOM 1645 CG2 THR A 123 29.006 -6.162 5.510 1.00 0.00 C ATOM 0 H THR A 123 27.681 -6.594 1.649 1.00 0.00 H new ATOM 0 HA THR A 123 28.246 -4.581 3.752 1.00 0.00 H new ATOM 0 HB THR A 123 30.023 -6.789 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.647 -8.489 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 123 29.324 -7.014 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.695 -5.332 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 123 28.002 -5.862 5.809 1.00 0.00 H new ATOM 1653 N CYS A 124 30.898 -4.936 2.812 1.00 0.00 N ATOM 1654 CA CYS A 124 32.029 -4.441 2.075 1.00 0.00 C ATOM 1655 C CYS A 124 33.324 -4.717 2.820 1.00 0.00 C ATOM 1656 O CYS A 124 33.758 -3.935 3.665 1.00 0.00 O ATOM 1657 CB CYS A 124 31.817 -2.955 1.835 1.00 0.00 C ATOM 1658 SG CYS A 124 32.758 -2.291 0.434 1.00 0.00 S ATOM 0 H CYS A 124 31.101 -5.245 3.763 1.00 0.00 H new ATOM 0 HA CYS A 124 32.113 -4.953 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.756 -2.773 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 124 32.094 -2.409 2.737 1.00 0.00 H new ATOM 1663 N GLN A 125 33.908 -5.868 2.516 1.00 0.00 N ATOM 1664 CA GLN A 125 35.123 -6.318 3.172 1.00 0.00 C ATOM 1665 C GLN A 125 36.238 -6.562 2.166 1.00 0.00 C ATOM 1666 O GLN A 125 36.037 -6.463 0.957 1.00 0.00 O ATOM 1667 CB GLN A 125 34.837 -7.606 3.945 1.00 0.00 C ATOM 1668 CG GLN A 125 34.404 -7.367 5.380 1.00 0.00 C ATOM 1669 CD GLN A 125 33.830 -8.609 6.031 1.00 0.00 C ATOM 1670 OE1 GLN A 125 34.552 -9.564 6.318 1.00 0.00 O ATOM 1671 NE2 GLN A 125 32.523 -8.604 6.265 1.00 0.00 N ATOM 0 H GLN A 125 33.553 -6.513 1.810 1.00 0.00 H new ATOM 0 HA GLN A 125 35.451 -5.536 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.058 -8.166 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.732 -8.228 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 125 35.259 -7.019 5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.659 -6.572 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.962 -7.791 6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 125 32.080 -9.414 6.699 1.00 0.00 H new ATOM 1680 N ILE A 126 37.414 -6.892 2.682 1.00 0.00 N ATOM 1681 CA ILE A 126 38.572 -7.169 1.844 1.00 0.00 C ATOM 1682 C ILE A 126 38.646 -8.654 1.501 1.00 0.00 C ATOM 1683 O ILE A 126 39.393 -9.410 2.122 1.00 0.00 O ATOM 1684 CB ILE A 126 39.878 -6.734 2.542 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.859 -5.231 2.799 1.00 0.00 C ATOM 1686 CG2 ILE A 126 41.093 -7.116 1.708 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.801 -4.400 1.537 1.00 0.00 C ATOM 0 H ILE A 126 37.591 -6.975 3.683 1.00 0.00 H new ATOM 0 HA ILE A 126 38.458 -6.595 0.924 1.00 0.00 H new ATOM 0 HB ILE A 126 39.948 -7.254 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.999 -4.989 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 126 40.750 -4.956 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 126 42.001 -6.799 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.114 -8.197 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 126 41.036 -6.626 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 126 39.790 -3.342 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.675 -4.613 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 126 38.896 -4.646 0.981 1.00 0.00 H new TER 1699 ILE A 126