USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 THR OG1 : rot 171:sc= -4.68! USER MOD Set 1.2: B 25 SER OG : rot 180:sc= -0.0314 USER MOD Set 2.1: B 1 GLU N :NH3+ -143:sc= -2.15 (180deg=-0.148) USER MOD Set 2.2: B 3 GLN : amide:sc= -20.3! C(o=-22!,f=-17!) USER MOD Set 3.1: A 23 THR OG1 : rot -167:sc= -2.39! USER MOD Set 3.2: A 26 GLN : amide:sc= -7.93! C(o=-10!,f=-4.2!) USER MOD Single : A 1 GLU N :NH3+ 178:sc= -0.35 (180deg=-0.394) USER MOD Single : A 3 GLN : amide:sc= -9.36! C(o=-9.4!,f=-2.7!) USER MOD Single : A 4 THR OG1 : rot -46:sc= 0.0679 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -61:sc= 0.256 USER MOD Single : A 15 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.083) USER MOD Single : A 16 ASN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -80:sc= 0.525! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.28! C(o=-7.3!,f=-5!) USER MOD Single : A 49 THR OG1 : rot 53:sc= 0.873 USER MOD Single : B 4 THR OG1 : rot -21:sc= 1.08 USER MOD Single : B 6 THR OG1 : rot 180:sc=-0.00496 USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -0.0954 K(o=-0.095,f=-0.76) USER MOD Single : B 16 ASN : amide:sc= -19.4! C(o=-19!,f=-3.6!) USER MOD Single : B 26 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.058) USER MOD Single : B 29 ASN : amide:sc=-0.00445 K(o=-0.0044,f=-0.91) USER MOD Single : B 30 LYS NZ :NH3+ 157:sc= -7.29! (180deg=-8.36!) USER MOD Single : B 37 THR OG1 : rot -118:sc= 1.13 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= -8.91! C(o=-8.9!,f=-7!) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 22.049 -16.505 -1.875 1.00 0.00 N ATOM 2 CA GLU A 1 20.732 -16.382 -1.198 1.00 0.00 C ATOM 3 C GLU A 1 20.555 -14.989 -0.601 1.00 0.00 C ATOM 4 O GLU A 1 19.818 -14.807 0.367 1.00 0.00 O ATOM 5 CB GLU A 1 20.606 -17.436 -0.096 1.00 0.00 C ATOM 6 CG GLU A 1 20.706 -18.865 -0.607 1.00 0.00 C ATOM 7 CD GLU A 1 19.631 -19.195 -1.625 1.00 0.00 C ATOM 8 OE1 GLU A 1 18.546 -19.658 -1.213 1.00 0.00 O ATOM 9 OE2 GLU A 1 19.874 -18.990 -2.832 1.00 0.00 O ATOM 0 H1 GLU A 1 22.161 -17.471 -2.244 1.00 0.00 H new ATOM 0 H2 GLU A 1 22.100 -15.826 -2.661 1.00 0.00 H new ATOM 0 H3 GLU A 1 22.809 -16.304 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 1 19.952 -16.542 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 1 21.387 -17.269 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.650 -17.306 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 1 21.687 -19.019 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 1 20.629 -19.554 0.234 1.00 0.00 H new ATOM 18 N ALA A 2 21.238 -14.010 -1.186 1.00 0.00 N ATOM 19 CA ALA A 2 21.157 -12.634 -0.711 1.00 0.00 C ATOM 20 C ALA A 2 19.913 -11.939 -1.254 1.00 0.00 C ATOM 21 O ALA A 2 20.009 -11.017 -2.064 1.00 0.00 O ATOM 22 CB ALA A 2 22.409 -11.866 -1.105 1.00 0.00 C ATOM 0 H ALA A 2 21.853 -14.144 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 2 21.084 -12.654 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 2 22.335 -10.840 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 2 23.283 -12.344 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 2 22.507 -11.863 -2.191 1.00 0.00 H new ATOM 28 N GLN A 3 18.746 -12.386 -0.803 1.00 0.00 N ATOM 29 CA GLN A 3 17.482 -11.807 -1.243 1.00 0.00 C ATOM 30 C GLN A 3 16.528 -11.631 -0.066 1.00 0.00 C ATOM 31 O GLN A 3 16.281 -12.570 0.690 1.00 0.00 O ATOM 32 CB GLN A 3 16.834 -12.693 -2.310 1.00 0.00 C ATOM 33 CG GLN A 3 17.703 -12.911 -3.540 1.00 0.00 C ATOM 34 CD GLN A 3 17.937 -11.639 -4.334 1.00 0.00 C ATOM 35 OE1 GLN A 3 18.115 -11.678 -5.551 1.00 0.00 O ATOM 36 NE2 GLN A 3 17.938 -10.502 -3.648 1.00 0.00 N ATOM 0 H GLN A 3 18.649 -13.148 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 3 17.689 -10.827 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.596 -13.661 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.891 -12.243 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 3 18.664 -13.322 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 3 17.232 -13.653 -4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 3 17.786 -10.515 -2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 3 18.090 -9.616 -4.130 1.00 0.00 H new ATOM 45 N THR A 4 15.995 -10.423 0.083 1.00 0.00 N ATOM 46 CA THR A 4 15.070 -10.127 1.170 1.00 0.00 C ATOM 47 C THR A 4 13.902 -9.275 0.683 1.00 0.00 C ATOM 48 O THR A 4 14.082 -8.353 -0.112 1.00 0.00 O ATOM 49 CB THR A 4 15.777 -9.395 2.326 1.00 0.00 C ATOM 50 OG1 THR A 4 16.328 -8.157 1.860 1.00 0.00 O ATOM 51 CG2 THR A 4 16.881 -10.257 2.917 1.00 0.00 C ATOM 0 H THR A 4 16.188 -9.634 -0.534 1.00 0.00 H new ATOM 0 HA THR A 4 14.692 -11.083 1.532 1.00 0.00 H new ATOM 0 HB THR A 4 15.040 -9.193 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.805 -8.308 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.366 -9.719 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.454 -11.184 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.616 -10.486 2.145 1.00 0.00 H new ATOM 59 N GLU A 5 12.706 -9.593 1.166 1.00 0.00 N ATOM 60 CA GLU A 5 11.507 -8.856 0.783 1.00 0.00 C ATOM 61 C GLU A 5 11.101 -7.872 1.876 1.00 0.00 C ATOM 62 O GLU A 5 10.941 -8.249 3.037 1.00 0.00 O ATOM 63 CB GLU A 5 10.357 -9.823 0.499 1.00 0.00 C ATOM 64 CG GLU A 5 10.650 -10.801 -0.627 1.00 0.00 C ATOM 65 CD GLU A 5 11.855 -11.674 -0.343 1.00 0.00 C ATOM 66 OE1 GLU A 5 12.118 -11.956 0.845 1.00 0.00 O ATOM 67 OE2 GLU A 5 12.539 -12.075 -1.308 1.00 0.00 O ATOM 0 H GLU A 5 12.541 -10.356 1.823 1.00 0.00 H new ATOM 0 HA GLU A 5 11.731 -8.293 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.132 -10.383 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.464 -9.250 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.778 -11.434 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.818 -10.246 -1.550 1.00 0.00 H new ATOM 74 N THR A 6 10.934 -6.609 1.496 1.00 0.00 N ATOM 75 CA THR A 6 10.545 -5.572 2.443 1.00 0.00 C ATOM 76 C THR A 6 9.367 -4.760 1.913 1.00 0.00 C ATOM 77 O THR A 6 8.935 -4.947 0.775 1.00 0.00 O ATOM 78 CB THR A 6 11.717 -4.620 2.745 1.00 0.00 C ATOM 79 OG1 THR A 6 12.823 -5.357 3.279 1.00 0.00 O ATOM 80 CG2 THR A 6 11.298 -3.543 3.733 1.00 0.00 C ATOM 0 H THR A 6 11.062 -6.280 0.539 1.00 0.00 H new ATOM 0 HA THR A 6 10.251 -6.076 3.364 1.00 0.00 H new ATOM 0 HB THR A 6 12.015 -4.141 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.564 -4.744 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.142 -2.883 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.475 -2.964 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.976 -4.009 4.664 1.00 0.00 H new ATOM 88 N CYS A 7 8.845 -3.865 2.745 1.00 0.00 N ATOM 89 CA CYS A 7 7.701 -3.045 2.363 1.00 0.00 C ATOM 90 C CYS A 7 7.949 -1.571 2.673 1.00 0.00 C ATOM 91 O CYS A 7 7.077 -0.728 2.460 1.00 0.00 O ATOM 92 CB CYS A 7 6.440 -3.523 3.088 1.00 0.00 C ATOM 93 SG CYS A 7 5.940 -5.225 2.671 1.00 0.00 S ATOM 0 H CYS A 7 9.195 -3.689 3.687 1.00 0.00 H new ATOM 0 HA CYS A 7 7.560 -3.149 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.606 -3.458 4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.619 -2.846 2.850 1.00 0.00 H new ATOM 98 N THR A 8 9.141 -1.266 3.175 1.00 0.00 N ATOM 99 CA THR A 8 9.498 0.109 3.506 1.00 0.00 C ATOM 100 C THR A 8 9.795 0.917 2.247 1.00 0.00 C ATOM 101 O THR A 8 10.916 1.383 2.047 1.00 0.00 O ATOM 102 CB THR A 8 10.723 0.163 4.437 1.00 0.00 C ATOM 103 OG1 THR A 8 11.024 1.523 4.772 1.00 0.00 O ATOM 104 CG2 THR A 8 11.934 -0.480 3.777 1.00 0.00 C ATOM 0 H THR A 8 9.874 -1.950 3.361 1.00 0.00 H new ATOM 0 HA THR A 8 8.641 0.543 4.021 1.00 0.00 H new ATOM 0 HB THR A 8 10.486 -0.392 5.345 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.240 2.021 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.787 -0.430 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.713 -1.523 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.171 0.051 2.855 1.00 0.00 H new ATOM 112 N VAL A 9 8.784 1.074 1.400 1.00 0.00 N ATOM 113 CA VAL A 9 8.938 1.814 0.153 1.00 0.00 C ATOM 114 C VAL A 9 8.469 3.256 0.308 1.00 0.00 C ATOM 115 O VAL A 9 7.637 3.560 1.165 1.00 0.00 O ATOM 116 CB VAL A 9 8.148 1.155 -0.993 1.00 0.00 C ATOM 117 CG1 VAL A 9 8.329 1.934 -2.287 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.574 -0.295 -1.171 1.00 0.00 C ATOM 0 H VAL A 9 7.848 0.698 1.554 1.00 0.00 H new ATOM 0 HA VAL A 9 10.000 1.802 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 9 7.089 1.170 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.763 1.452 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.968 2.954 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.386 1.955 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.005 -0.744 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.638 -0.336 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.385 -0.846 -0.249 1.00 0.00 H new ATOM 128 N ALA A 10 8.995 4.139 -0.534 1.00 0.00 N ATOM 129 CA ALA A 10 8.597 5.541 -0.516 1.00 0.00 C ATOM 130 C ALA A 10 7.167 5.704 -1.019 1.00 0.00 C ATOM 131 O ALA A 10 6.773 5.084 -2.006 1.00 0.00 O ATOM 132 CB ALA A 10 9.555 6.373 -1.356 1.00 0.00 C ATOM 0 H ALA A 10 9.697 3.909 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 10 8.638 5.896 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.245 7.418 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.564 6.285 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.543 6.013 -2.385 1.00 0.00 H new ATOM 138 N PRO A 11 6.369 6.533 -0.330 1.00 0.00 N ATOM 139 CA PRO A 11 4.964 6.749 -0.675 1.00 0.00 C ATOM 140 C PRO A 11 4.742 6.872 -2.180 1.00 0.00 C ATOM 141 O PRO A 11 4.104 6.017 -2.794 1.00 0.00 O ATOM 142 CB PRO A 11 4.644 8.065 0.027 1.00 0.00 C ATOM 143 CG PRO A 11 5.519 8.063 1.234 1.00 0.00 C ATOM 144 CD PRO A 11 6.774 7.318 0.851 1.00 0.00 C ATOM 0 HA PRO A 11 4.330 5.916 -0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.855 8.920 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.590 8.124 0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.752 9.081 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.021 7.578 2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.590 8.002 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.120 6.675 1.660 1.00 0.00 H new ATOM 152 N ARG A 12 5.268 7.941 -2.767 1.00 0.00 N ATOM 153 CA ARG A 12 5.113 8.181 -4.197 1.00 0.00 C ATOM 154 C ARG A 12 5.824 7.105 -5.012 1.00 0.00 C ATOM 155 O ARG A 12 5.414 6.786 -6.128 1.00 0.00 O ATOM 156 CB ARG A 12 5.659 9.560 -4.567 1.00 0.00 C ATOM 157 CG ARG A 12 4.965 10.702 -3.845 1.00 0.00 C ATOM 158 CD ARG A 12 5.535 12.050 -4.257 1.00 0.00 C ATOM 159 NE ARG A 12 5.382 12.295 -5.688 1.00 0.00 N ATOM 160 CZ ARG A 12 5.594 13.475 -6.261 1.00 0.00 C ATOM 161 NH1 ARG A 12 5.964 14.515 -5.525 1.00 0.00 N ATOM 162 NH2 ARG A 12 5.434 13.617 -7.569 1.00 0.00 N ATOM 0 H ARG A 12 5.805 8.655 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 12 4.049 8.144 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.725 9.592 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.557 9.706 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.897 10.676 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.075 10.573 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.035 12.841 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.592 12.093 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 12 5.096 11.516 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.086 14.409 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.126 15.420 -5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.148 12.820 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.597 14.523 -8.007 1.00 0.00 H new ATOM 176 N GLU A 13 6.898 6.557 -4.452 1.00 0.00 N ATOM 177 CA GLU A 13 7.681 5.536 -5.139 1.00 0.00 C ATOM 178 C GLU A 13 7.143 4.140 -4.843 1.00 0.00 C ATOM 179 O GLU A 13 7.884 3.158 -4.881 1.00 0.00 O ATOM 180 CB GLU A 13 9.150 5.627 -4.724 1.00 0.00 C ATOM 181 CG GLU A 13 9.790 6.970 -5.038 1.00 0.00 C ATOM 182 CD GLU A 13 9.766 7.294 -6.520 1.00 0.00 C ATOM 183 OE1 GLU A 13 9.807 6.349 -7.335 1.00 0.00 O ATOM 184 OE2 GLU A 13 9.709 8.494 -6.864 1.00 0.00 O ATOM 0 H GLU A 13 7.246 6.803 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 13 7.600 5.714 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.229 5.438 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.711 4.840 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.268 7.754 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.822 6.968 -4.687 1.00 0.00 H new ATOM 191 N ARG A 14 5.847 4.057 -4.555 1.00 0.00 N ATOM 192 CA ARG A 14 5.209 2.776 -4.275 1.00 0.00 C ATOM 193 C ARG A 14 4.506 2.236 -5.517 1.00 0.00 C ATOM 194 O ARG A 14 3.727 2.940 -6.157 1.00 0.00 O ATOM 195 CB ARG A 14 4.205 2.917 -3.130 1.00 0.00 C ATOM 196 CG ARG A 14 4.834 3.363 -1.821 1.00 0.00 C ATOM 197 CD ARG A 14 3.805 3.441 -0.705 1.00 0.00 C ATOM 198 NE ARG A 14 4.404 3.845 0.563 1.00 0.00 N ATOM 199 CZ ARG A 14 3.710 4.011 1.685 1.00 0.00 C ATOM 200 NH1 ARG A 14 2.400 3.809 1.694 1.00 0.00 N ATOM 201 NH2 ARG A 14 4.328 4.378 2.800 1.00 0.00 N ATOM 0 H ARG A 14 5.220 4.860 -4.510 1.00 0.00 H new ATOM 0 HA ARG A 14 5.986 2.071 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.437 3.635 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.705 1.961 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.624 2.667 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.301 4.339 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.025 4.151 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.325 2.470 -0.586 1.00 0.00 H new ATOM 0 HE ARG A 14 5.410 4.009 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.922 3.525 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.870 3.937 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.336 4.533 2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.795 4.505 3.660 1.00 0.00 H new ATOM 215 N GLN A 15 4.789 0.981 -5.850 1.00 0.00 N ATOM 216 CA GLN A 15 4.184 0.345 -7.015 1.00 0.00 C ATOM 217 C GLN A 15 2.796 -0.193 -6.681 1.00 0.00 C ATOM 218 O GLN A 15 2.660 -1.224 -6.024 1.00 0.00 O ATOM 219 CB GLN A 15 5.074 -0.791 -7.521 1.00 0.00 C ATOM 220 CG GLN A 15 6.464 -0.335 -7.937 1.00 0.00 C ATOM 221 CD GLN A 15 6.432 0.682 -9.060 1.00 0.00 C ATOM 222 OE1 GLN A 15 6.461 0.325 -10.238 1.00 0.00 O ATOM 223 NE2 GLN A 15 6.373 1.959 -8.699 1.00 0.00 N ATOM 0 H GLN A 15 5.433 0.385 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 15 4.085 1.097 -7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.167 -1.545 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.589 -1.271 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.974 0.096 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.047 -1.200 -8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.351 2.209 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.350 2.690 -9.410 1.00 0.00 H new ATOM 232 N ASN A 16 1.767 0.515 -7.137 1.00 0.00 N ATOM 233 CA ASN A 16 0.390 0.110 -6.884 1.00 0.00 C ATOM 234 C ASN A 16 0.259 -1.410 -6.891 1.00 0.00 C ATOM 235 O ASN A 16 0.585 -2.066 -7.880 1.00 0.00 O ATOM 236 CB ASN A 16 -0.544 0.719 -7.933 1.00 0.00 C ATOM 237 CG ASN A 16 -1.993 0.331 -7.709 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.775 0.234 -8.655 1.00 0.00 O ATOM 239 ND2 ASN A 16 -2.359 0.110 -6.452 1.00 0.00 N ATOM 0 H ASN A 16 1.861 1.371 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 16 0.106 0.476 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.453 1.805 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.233 0.394 -8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.322 -0.152 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.677 0.202 -5.699 1.00 0.00 H new ATOM 246 N CYS A 17 -0.221 -1.961 -5.783 1.00 0.00 N ATOM 247 CA CYS A 17 -0.400 -3.402 -5.659 1.00 0.00 C ATOM 248 C CYS A 17 -1.716 -3.711 -4.954 1.00 0.00 C ATOM 249 O CYS A 17 -2.076 -4.871 -4.756 1.00 0.00 O ATOM 250 CB CYS A 17 0.770 -4.014 -4.885 1.00 0.00 C ATOM 251 SG CYS A 17 0.770 -5.835 -4.827 1.00 0.00 S ATOM 0 H CYS A 17 -0.494 -1.430 -4.956 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.427 -3.839 -6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.703 -3.678 -5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.754 -3.631 -3.865 1.00 0.00 H new ATOM 256 N GLY A 18 -2.426 -2.654 -4.581 1.00 0.00 N ATOM 257 CA GLY A 18 -3.694 -2.806 -3.896 1.00 0.00 C ATOM 258 C GLY A 18 -4.271 -1.477 -3.452 1.00 0.00 C ATOM 259 O GLY A 18 -3.628 -0.726 -2.719 1.00 0.00 O ATOM 0 H GLY A 18 -2.143 -1.687 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.403 -3.305 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.560 -3.450 -3.027 1.00 0.00 H new ATOM 263 N PHE A 19 -5.481 -1.181 -3.909 1.00 0.00 N ATOM 264 CA PHE A 19 -6.136 0.081 -3.584 1.00 0.00 C ATOM 265 C PHE A 19 -5.988 0.407 -2.101 1.00 0.00 C ATOM 266 O PHE A 19 -5.580 -0.441 -1.308 1.00 0.00 O ATOM 267 CB PHE A 19 -7.618 0.022 -3.959 1.00 0.00 C ATOM 268 CG PHE A 19 -8.377 -1.058 -3.243 1.00 0.00 C ATOM 269 CD1 PHE A 19 -8.477 -2.329 -3.784 1.00 0.00 C ATOM 270 CD2 PHE A 19 -8.991 -0.801 -2.027 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.175 -3.325 -3.127 1.00 0.00 C ATOM 272 CE2 PHE A 19 -9.691 -1.792 -1.365 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.783 -3.055 -1.917 1.00 0.00 C ATOM 0 H PHE A 19 -6.030 -1.798 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.653 0.870 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.078 0.985 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.706 -0.135 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.004 -2.545 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.922 0.185 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.245 -4.312 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.165 -1.579 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.330 -3.831 -1.402 1.00 0.00 H new ATOM 283 N PRO A 20 -6.321 1.647 -1.715 1.00 0.00 N ATOM 284 CA PRO A 20 -6.225 2.095 -0.321 1.00 0.00 C ATOM 285 C PRO A 20 -7.253 1.414 0.577 1.00 0.00 C ATOM 286 O PRO A 20 -6.906 0.841 1.608 1.00 0.00 O ATOM 287 CB PRO A 20 -6.504 3.598 -0.409 1.00 0.00 C ATOM 288 CG PRO A 20 -7.308 3.762 -1.653 1.00 0.00 C ATOM 289 CD PRO A 20 -6.815 2.709 -2.607 1.00 0.00 C ATOM 0 HA PRO A 20 -5.257 1.854 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.051 3.951 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.578 4.170 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.372 3.637 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.179 4.760 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.613 2.350 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.025 3.091 -3.254 1.00 0.00 H new ATOM 297 N GLY A 21 -8.518 1.482 0.177 1.00 0.00 N ATOM 298 CA GLY A 21 -9.576 0.864 0.955 1.00 0.00 C ATOM 299 C GLY A 21 -9.171 -0.487 1.509 1.00 0.00 C ATOM 300 O GLY A 21 -9.682 -0.919 2.543 1.00 0.00 O ATOM 0 H GLY A 21 -8.830 1.954 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.851 1.524 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.462 0.747 0.331 1.00 0.00 H new ATOM 304 N VAL A 22 -8.253 -1.156 0.821 1.00 0.00 N ATOM 305 CA VAL A 22 -7.781 -2.467 1.250 1.00 0.00 C ATOM 306 C VAL A 22 -7.379 -2.452 2.720 1.00 0.00 C ATOM 307 O VAL A 22 -7.309 -1.393 3.344 1.00 0.00 O ATOM 308 CB VAL A 22 -6.579 -2.935 0.409 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.951 -3.004 -1.064 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.387 -2.014 0.623 1.00 0.00 C ATOM 0 H VAL A 22 -7.821 -0.812 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.609 -3.162 1.107 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.299 -3.936 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.089 -3.337 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.772 -3.708 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.259 -2.017 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.547 -2.360 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.653 -1.000 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.106 -2.021 1.676 1.00 0.00 H new ATOM 320 N THR A 23 -7.109 -3.633 3.266 1.00 0.00 N ATOM 321 CA THR A 23 -6.700 -3.757 4.660 1.00 0.00 C ATOM 322 C THR A 23 -5.553 -4.751 4.805 1.00 0.00 C ATOM 323 O THR A 23 -5.111 -5.349 3.824 1.00 0.00 O ATOM 324 CB THR A 23 -7.871 -4.206 5.552 1.00 0.00 C ATOM 325 OG1 THR A 23 -8.361 -5.478 5.115 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.999 -3.185 5.517 1.00 0.00 C ATOM 0 H THR A 23 -7.166 -4.519 2.764 1.00 0.00 H new ATOM 0 HA THR A 23 -6.368 -2.770 4.983 1.00 0.00 H new ATOM 0 HB THR A 23 -7.507 -4.290 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.222 -5.662 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.816 -3.523 6.155 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.631 -2.224 5.877 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.359 -3.075 4.494 1.00 0.00 H new ATOM 334 N PRO A 24 -5.059 -4.942 6.037 1.00 0.00 N ATOM 335 CA PRO A 24 -3.963 -5.875 6.313 1.00 0.00 C ATOM 336 C PRO A 24 -4.226 -7.262 5.737 1.00 0.00 C ATOM 337 O PRO A 24 -3.308 -7.935 5.267 1.00 0.00 O ATOM 338 CB PRO A 24 -3.919 -5.928 7.841 1.00 0.00 C ATOM 339 CG PRO A 24 -4.494 -4.627 8.282 1.00 0.00 C ATOM 340 CD PRO A 24 -5.532 -4.264 7.257 1.00 0.00 C ATOM 0 HA PRO A 24 -3.027 -5.552 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.499 -6.767 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.899 -6.053 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.938 -4.713 9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.722 -3.860 8.344 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.524 -4.609 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.598 -3.185 7.117 1.00 0.00 H new ATOM 348 N SER A 25 -5.485 -7.686 5.779 1.00 0.00 N ATOM 349 CA SER A 25 -5.868 -8.999 5.270 1.00 0.00 C ATOM 350 C SER A 25 -6.249 -8.922 3.795 1.00 0.00 C ATOM 351 O SER A 25 -5.914 -9.810 3.011 1.00 0.00 O ATOM 352 CB SER A 25 -7.036 -9.563 6.081 1.00 0.00 C ATOM 353 OG SER A 25 -6.688 -9.703 7.447 1.00 0.00 O ATOM 0 H SER A 25 -6.258 -7.140 6.160 1.00 0.00 H new ATOM 0 HA SER A 25 -5.010 -9.664 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.899 -8.904 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.330 -10.532 5.676 1.00 0.00 H new ATOM 0 HG SER A 25 -7.452 -10.064 7.944 1.00 0.00 H new ATOM 359 N GLN A 26 -6.955 -7.858 3.425 1.00 0.00 N ATOM 360 CA GLN A 26 -7.388 -7.672 2.045 1.00 0.00 C ATOM 361 C GLN A 26 -6.190 -7.479 1.121 1.00 0.00 C ATOM 362 O GLN A 26 -6.251 -7.799 -0.066 1.00 0.00 O ATOM 363 CB GLN A 26 -8.327 -6.469 1.941 1.00 0.00 C ATOM 364 CG GLN A 26 -9.583 -6.601 2.786 1.00 0.00 C ATOM 365 CD GLN A 26 -10.496 -5.397 2.666 1.00 0.00 C ATOM 366 OE1 GLN A 26 -11.715 -5.513 2.790 1.00 0.00 O ATOM 367 NE2 GLN A 26 -9.908 -4.231 2.424 1.00 0.00 N ATOM 0 H GLN A 26 -7.239 -7.113 4.061 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.923 -8.569 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.788 -5.571 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.614 -6.332 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.127 -7.496 2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.301 -6.736 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.894 -4.181 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.471 -3.385 2.334 1.00 0.00 H new ATOM 376 N CYS A 27 -5.101 -6.958 1.675 1.00 0.00 N ATOM 377 CA CYS A 27 -3.885 -6.730 0.903 1.00 0.00 C ATOM 378 C CYS A 27 -2.960 -7.939 0.981 1.00 0.00 C ATOM 379 O CYS A 27 -2.533 -8.474 -0.044 1.00 0.00 O ATOM 380 CB CYS A 27 -3.159 -5.484 1.413 1.00 0.00 C ATOM 381 SG CYS A 27 -1.622 -5.097 0.514 1.00 0.00 S ATOM 0 H CYS A 27 -5.035 -6.686 2.656 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.167 -6.576 -0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.833 -4.630 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.925 -5.620 2.469 1.00 0.00 H new ATOM 386 N ALA A 28 -2.660 -8.372 2.201 1.00 0.00 N ATOM 387 CA ALA A 28 -1.806 -9.534 2.410 1.00 0.00 C ATOM 388 C ALA A 28 -2.383 -10.767 1.723 1.00 0.00 C ATOM 389 O ALA A 28 -1.665 -11.726 1.440 1.00 0.00 O ATOM 390 CB ALA A 28 -1.623 -9.793 3.899 1.00 0.00 C ATOM 0 H ALA A 28 -2.996 -7.935 3.059 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.832 -9.325 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.983 -10.664 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.161 -8.923 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.594 -9.978 4.358 1.00 0.00 H new ATOM 396 N ASN A 29 -3.684 -10.730 1.451 1.00 0.00 N ATOM 397 CA ASN A 29 -4.356 -11.836 0.781 1.00 0.00 C ATOM 398 C ASN A 29 -3.958 -11.902 -0.690 1.00 0.00 C ATOM 399 O ASN A 29 -3.976 -12.970 -1.302 1.00 0.00 O ATOM 400 CB ASN A 29 -5.873 -11.687 0.905 1.00 0.00 C ATOM 401 CG ASN A 29 -6.624 -12.814 0.223 1.00 0.00 C ATOM 402 OD1 ASN A 29 -6.152 -13.386 -0.759 1.00 0.00 O ATOM 403 ND2 ASN A 29 -7.804 -13.137 0.741 1.00 0.00 N ATOM 0 H ASN A 29 -4.293 -9.946 1.685 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.048 -12.763 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.147 -11.658 1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.178 -10.735 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.357 -13.886 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.157 -12.636 1.556 1.00 0.00 H new ATOM 410 N LYS A 30 -3.597 -10.752 -1.251 1.00 0.00 N ATOM 411 CA LYS A 30 -3.190 -10.677 -2.649 1.00 0.00 C ATOM 412 C LYS A 30 -1.677 -10.811 -2.784 1.00 0.00 C ATOM 413 O LYS A 30 -1.170 -11.211 -3.832 1.00 0.00 O ATOM 414 CB LYS A 30 -3.654 -9.356 -3.266 1.00 0.00 C ATOM 415 CG LYS A 30 -3.267 -9.197 -4.727 1.00 0.00 C ATOM 416 CD LYS A 30 -3.735 -7.863 -5.286 1.00 0.00 C ATOM 417 CE LYS A 30 -5.246 -7.718 -5.191 1.00 0.00 C ATOM 418 NZ LYS A 30 -5.713 -6.412 -5.732 1.00 0.00 N ATOM 0 H LYS A 30 -3.578 -9.859 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.658 -11.504 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.738 -9.284 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.231 -8.530 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.185 -9.275 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.701 -10.009 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.255 -7.050 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.425 -7.775 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.724 -8.530 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.555 -7.811 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.748 -6.352 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.277 -5.637 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.441 -6.333 -6.733 1.00 0.00 H new ATOM 432 N GLY A 31 -0.961 -10.467 -1.717 1.00 0.00 N ATOM 433 CA GLY A 31 0.489 -10.546 -1.740 1.00 0.00 C ATOM 434 C GLY A 31 1.140 -9.182 -1.852 1.00 0.00 C ATOM 435 O GLY A 31 2.232 -9.052 -2.406 1.00 0.00 O ATOM 0 H GLY A 31 -1.358 -10.135 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.838 -11.039 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.803 -11.166 -2.580 1.00 0.00 H new ATOM 439 N CYS A 32 0.469 -8.162 -1.328 1.00 0.00 N ATOM 440 CA CYS A 32 0.986 -6.800 -1.377 1.00 0.00 C ATOM 441 C CYS A 32 1.437 -6.341 0.006 1.00 0.00 C ATOM 442 O CYS A 32 1.374 -7.098 0.974 1.00 0.00 O ATOM 443 CB CYS A 32 -0.083 -5.844 -1.911 1.00 0.00 C ATOM 444 SG CYS A 32 -0.742 -6.291 -3.550 1.00 0.00 S ATOM 0 H CYS A 32 -0.435 -8.253 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 32 1.845 -6.790 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.908 -5.806 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.338 -4.840 -1.964 1.00 0.00 H new ATOM 449 N CYS A 33 1.867 -5.086 0.094 1.00 0.00 N ATOM 450 CA CYS A 33 2.253 -4.495 1.369 1.00 0.00 C ATOM 451 C CYS A 33 1.230 -3.452 1.810 1.00 0.00 C ATOM 452 O CYS A 33 0.820 -2.601 1.020 1.00 0.00 O ATOM 453 CB CYS A 33 3.636 -3.851 1.262 1.00 0.00 C ATOM 454 SG CYS A 33 4.980 -5.023 0.894 1.00 0.00 S ATOM 0 H CYS A 33 1.957 -4.458 -0.705 1.00 0.00 H new ATOM 0 HA CYS A 33 2.288 -5.289 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.610 -3.089 0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.860 -3.341 2.199 1.00 0.00 H new ATOM 459 N PHE A 34 0.817 -3.528 3.069 1.00 0.00 N ATOM 460 CA PHE A 34 -0.171 -2.597 3.602 1.00 0.00 C ATOM 461 C PHE A 34 0.491 -1.556 4.500 1.00 0.00 C ATOM 462 O PHE A 34 0.930 -1.866 5.608 1.00 0.00 O ATOM 463 CB PHE A 34 -1.248 -3.350 4.383 1.00 0.00 C ATOM 464 CG PHE A 34 -2.360 -2.467 4.871 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.186 -1.660 5.983 1.00 0.00 C ATOM 466 CD2 PHE A 34 -3.581 -2.443 4.214 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.207 -0.844 6.431 1.00 0.00 C ATOM 468 CE2 PHE A 34 -4.606 -1.630 4.658 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.419 -0.830 5.768 1.00 0.00 C ATOM 0 H PHE A 34 1.149 -4.222 3.739 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.637 -2.083 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.667 -4.131 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.787 -3.846 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.241 -1.669 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.732 -3.067 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.058 -0.218 7.298 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.552 -1.620 4.138 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.219 -0.194 6.117 1.00 0.00 H new ATOM 479 N ASP A 35 0.561 -0.322 4.013 1.00 0.00 N ATOM 480 CA ASP A 35 1.173 0.765 4.769 1.00 0.00 C ATOM 481 C ASP A 35 0.244 1.972 4.835 1.00 0.00 C ATOM 482 O ASP A 35 0.285 2.848 3.971 1.00 0.00 O ATOM 483 CB ASP A 35 2.506 1.167 4.134 1.00 0.00 C ATOM 484 CG ASP A 35 3.186 2.296 4.883 1.00 0.00 C ATOM 485 OD1 ASP A 35 2.470 3.128 5.480 1.00 0.00 O ATOM 486 OD2 ASP A 35 4.434 2.349 4.874 1.00 0.00 O ATOM 0 H ASP A 35 0.202 -0.049 3.098 1.00 0.00 H new ATOM 0 HA ASP A 35 1.353 0.412 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.168 0.302 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.336 1.470 3.101 1.00 0.00 H new ATOM 491 N ASP A 36 -0.591 2.013 5.867 1.00 0.00 N ATOM 492 CA ASP A 36 -1.528 3.115 6.049 1.00 0.00 C ATOM 493 C ASP A 36 -0.895 4.241 6.860 1.00 0.00 C ATOM 494 O ASP A 36 -1.378 4.591 7.937 1.00 0.00 O ATOM 495 CB ASP A 36 -2.799 2.623 6.744 1.00 0.00 C ATOM 496 CG ASP A 36 -2.520 2.041 8.116 1.00 0.00 C ATOM 497 OD1 ASP A 36 -1.553 2.490 8.766 1.00 0.00 O ATOM 498 OD2 ASP A 36 -3.270 1.137 8.541 1.00 0.00 O ATOM 0 H ASP A 36 -0.638 1.296 6.591 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.788 3.503 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.501 3.451 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.280 1.867 6.123 1.00 0.00 H new ATOM 503 N THR A 37 0.190 4.803 6.336 1.00 0.00 N ATOM 504 CA THR A 37 0.890 5.888 7.012 1.00 0.00 C ATOM 505 C THR A 37 0.807 7.180 6.207 1.00 0.00 C ATOM 506 O THR A 37 0.753 8.273 6.770 1.00 0.00 O ATOM 507 CB THR A 37 2.372 5.541 7.249 1.00 0.00 C ATOM 508 OG1 THR A 37 3.025 5.300 5.997 1.00 0.00 O ATOM 509 CG2 THR A 37 2.504 4.315 8.139 1.00 0.00 C ATOM 0 H THR A 37 0.603 4.525 5.446 1.00 0.00 H new ATOM 0 HA THR A 37 0.399 6.028 7.975 1.00 0.00 H new ATOM 0 HB THR A 37 2.845 6.386 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.825 4.390 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.559 4.089 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.031 4.511 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.016 3.465 7.662 1.00 0.00 H new ATOM 517 N VAL A 38 0.800 7.046 4.884 1.00 0.00 N ATOM 518 CA VAL A 38 0.728 8.203 4.000 1.00 0.00 C ATOM 519 C VAL A 38 -0.519 8.147 3.124 1.00 0.00 C ATOM 520 O VAL A 38 -0.708 7.206 2.355 1.00 0.00 O ATOM 521 CB VAL A 38 1.971 8.298 3.097 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.876 9.509 2.182 1.00 0.00 C ATOM 523 CG2 VAL A 38 3.238 8.353 3.937 1.00 0.00 C ATOM 0 H VAL A 38 0.843 6.148 4.402 1.00 0.00 H new ATOM 0 HA VAL A 38 0.683 9.086 4.637 1.00 0.00 H new ATOM 0 HB VAL A 38 2.014 7.404 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.764 9.559 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.989 9.422 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.807 10.415 2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.106 8.420 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.206 9.227 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.311 7.451 4.545 1.00 0.00 H new ATOM 533 N ARG A 39 -1.367 9.163 3.247 1.00 0.00 N ATOM 534 CA ARG A 39 -2.596 9.231 2.466 1.00 0.00 C ATOM 535 C ARG A 39 -2.298 9.596 1.016 1.00 0.00 C ATOM 536 O ARG A 39 -1.143 9.803 0.641 1.00 0.00 O ATOM 537 CB ARG A 39 -3.557 10.255 3.075 1.00 0.00 C ATOM 538 CG ARG A 39 -3.964 9.932 4.504 1.00 0.00 C ATOM 539 CD ARG A 39 -4.903 10.985 5.068 1.00 0.00 C ATOM 540 NE ARG A 39 -5.301 10.684 6.440 1.00 0.00 N ATOM 541 CZ ARG A 39 -5.926 11.549 7.232 1.00 0.00 C ATOM 542 NH1 ARG A 39 -6.220 12.763 6.789 1.00 0.00 N ATOM 543 NH2 ARG A 39 -6.256 11.201 8.468 1.00 0.00 N ATOM 0 H ARG A 39 -1.225 9.950 3.880 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.065 8.247 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.088 11.239 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.452 10.314 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.450 8.957 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.074 9.864 5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.415 11.959 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.791 11.053 4.439 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.087 9.758 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.967 13.034 5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.700 13.426 7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.030 10.268 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.736 11.866 9.074 1.00 0.00 H new ATOM 557 N GLY A 40 -3.347 9.674 0.202 1.00 0.00 N ATOM 558 CA GLY A 40 -3.175 10.012 -1.198 1.00 0.00 C ATOM 559 C GLY A 40 -2.416 8.944 -1.963 1.00 0.00 C ATOM 560 O GLY A 40 -2.611 8.777 -3.167 1.00 0.00 O ATOM 0 H GLY A 40 -4.312 9.509 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.153 10.157 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.642 10.959 -1.277 1.00 0.00 H new ATOM 564 N VAL A 41 -1.550 8.222 -1.262 1.00 0.00 N ATOM 565 CA VAL A 41 -0.759 7.164 -1.881 1.00 0.00 C ATOM 566 C VAL A 41 -1.380 5.795 -1.627 1.00 0.00 C ATOM 567 O VAL A 41 -2.159 5.620 -0.689 1.00 0.00 O ATOM 568 CB VAL A 41 0.689 7.165 -1.356 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.367 8.493 -1.655 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.716 6.868 0.136 1.00 0.00 C ATOM 0 H VAL A 41 -1.377 8.349 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.748 7.362 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 41 1.242 6.379 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.389 8.473 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.383 8.659 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.816 9.300 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.747 6.873 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.146 7.629 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.274 5.889 0.320 1.00 0.00 H new ATOM 580 N PRO A 42 -1.037 4.806 -2.466 1.00 0.00 N ATOM 581 CA PRO A 42 -1.558 3.441 -2.336 1.00 0.00 C ATOM 582 C PRO A 42 -1.016 2.730 -1.101 1.00 0.00 C ATOM 583 O PRO A 42 0.194 2.556 -0.955 1.00 0.00 O ATOM 584 CB PRO A 42 -1.067 2.750 -3.611 1.00 0.00 C ATOM 585 CG PRO A 42 0.142 3.519 -4.017 1.00 0.00 C ATOM 586 CD PRO A 42 -0.114 4.942 -3.605 1.00 0.00 C ATOM 0 HA PRO A 42 -2.642 3.427 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.827 1.703 -3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.829 2.770 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.035 3.127 -3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.307 3.448 -5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.807 5.449 -3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.558 5.521 -4.415 1.00 0.00 H new ATOM 594 N TRP A 43 -1.917 2.323 -0.214 1.00 0.00 N ATOM 595 CA TRP A 43 -1.526 1.637 1.012 1.00 0.00 C ATOM 596 C TRP A 43 -1.082 0.208 0.718 1.00 0.00 C ATOM 597 O TRP A 43 -0.279 -0.367 1.453 1.00 0.00 O ATOM 598 CB TRP A 43 -2.686 1.626 2.011 1.00 0.00 C ATOM 599 CG TRP A 43 -3.160 2.996 2.386 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.624 4.187 1.990 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.269 3.317 3.235 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.330 5.229 2.540 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.344 4.721 3.309 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.204 2.554 3.940 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.319 5.376 4.058 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.170 3.206 4.683 1.00 0.00 C ATOM 607 CH2 TRP A 43 -6.222 4.604 4.736 1.00 0.00 C ATOM 0 H TRP A 43 -2.923 2.456 -0.321 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.686 2.179 1.447 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.518 1.066 1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.375 1.098 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.769 4.295 1.339 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.132 6.220 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.172 1.475 3.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.360 6.454 4.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.897 2.627 5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.991 5.083 5.324 1.00 0.00 H new ATOM 618 N CYS A 44 -1.613 -0.363 -0.359 1.00 0.00 N ATOM 619 CA CYS A 44 -1.285 -1.732 -0.736 1.00 0.00 C ATOM 620 C CYS A 44 -0.506 -1.764 -2.047 1.00 0.00 C ATOM 621 O CYS A 44 -1.091 -1.731 -3.130 1.00 0.00 O ATOM 622 CB CYS A 44 -2.562 -2.565 -0.865 1.00 0.00 C ATOM 623 SG CYS A 44 -2.272 -4.321 -1.247 1.00 0.00 S ATOM 0 H CYS A 44 -2.271 0.101 -0.985 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.658 -2.159 0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.123 -2.495 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.187 -2.133 -1.647 1.00 0.00 H new ATOM 628 N PHE A 45 0.818 -1.822 -1.942 1.00 0.00 N ATOM 629 CA PHE A 45 1.679 -1.846 -3.119 1.00 0.00 C ATOM 630 C PHE A 45 2.570 -3.085 -3.117 1.00 0.00 C ATOM 631 O PHE A 45 2.386 -3.993 -2.308 1.00 0.00 O ATOM 632 CB PHE A 45 2.543 -0.584 -3.171 1.00 0.00 C ATOM 633 CG PHE A 45 3.434 -0.418 -1.973 1.00 0.00 C ATOM 634 CD1 PHE A 45 2.978 0.236 -0.840 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.727 -0.916 -1.981 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.794 0.391 0.264 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.548 -0.765 -0.880 1.00 0.00 C ATOM 638 CZ PHE A 45 5.082 -0.110 0.243 1.00 0.00 C ATOM 0 H PHE A 45 1.318 -1.853 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 45 1.042 -1.879 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.158 -0.611 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.894 0.288 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.972 0.629 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.097 -1.428 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.426 0.902 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.553 -1.159 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.723 0.011 1.104 1.00 0.00 H new ATOM 648 N TYR A 46 3.540 -3.113 -4.027 1.00 0.00 N ATOM 649 CA TYR A 46 4.465 -4.237 -4.121 1.00 0.00 C ATOM 650 C TYR A 46 5.669 -4.031 -3.208 1.00 0.00 C ATOM 651 O TYR A 46 6.152 -2.910 -3.044 1.00 0.00 O ATOM 652 CB TYR A 46 4.932 -4.422 -5.567 1.00 0.00 C ATOM 653 CG TYR A 46 3.811 -4.729 -6.533 1.00 0.00 C ATOM 654 CD1 TYR A 46 3.366 -6.033 -6.716 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.199 -3.718 -7.262 1.00 0.00 C ATOM 656 CE1 TYR A 46 2.341 -6.319 -7.598 1.00 0.00 C ATOM 657 CE2 TYR A 46 2.174 -3.996 -8.146 1.00 0.00 C ATOM 658 CZ TYR A 46 1.748 -5.298 -8.311 1.00 0.00 C ATOM 659 OH TYR A 46 0.728 -5.579 -9.189 1.00 0.00 O ATOM 0 H TYR A 46 3.705 -2.372 -4.708 1.00 0.00 H new ATOM 0 HA TYR A 46 3.938 -5.135 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.443 -3.516 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.662 -5.230 -5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.828 -6.835 -6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.530 -2.698 -7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.006 -7.337 -7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.708 -3.198 -8.705 1.00 0.00 H new ATOM 0 HH TYR A 46 0.420 -4.749 -9.609 1.00 0.00 H new ATOM 669 N PRO A 47 6.166 -5.117 -2.600 1.00 0.00 N ATOM 670 CA PRO A 47 7.317 -5.064 -1.694 1.00 0.00 C ATOM 671 C PRO A 47 8.624 -4.788 -2.430 1.00 0.00 C ATOM 672 O PRO A 47 8.624 -4.229 -3.527 1.00 0.00 O ATOM 673 CB PRO A 47 7.342 -6.460 -1.070 1.00 0.00 C ATOM 674 CG PRO A 47 6.684 -7.336 -2.079 1.00 0.00 C ATOM 675 CD PRO A 47 5.641 -6.486 -2.750 1.00 0.00 C ATOM 0 HA PRO A 47 7.225 -4.257 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.363 -6.785 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.808 -6.479 -0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.408 -7.709 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.231 -8.206 -1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.517 -6.756 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.666 -6.597 -2.275 1.00 0.00 H new ATOM 683 N ASN A 48 9.734 -5.188 -1.820 1.00 0.00 N ATOM 684 CA ASN A 48 11.050 -4.987 -2.415 1.00 0.00 C ATOM 685 C ASN A 48 11.902 -6.246 -2.289 1.00 0.00 C ATOM 686 O ASN A 48 11.797 -6.984 -1.310 1.00 0.00 O ATOM 687 CB ASN A 48 11.761 -3.810 -1.748 1.00 0.00 C ATOM 688 CG ASN A 48 10.986 -2.514 -1.877 1.00 0.00 C ATOM 689 OD1 ASN A 48 10.258 -2.306 -2.847 1.00 0.00 O ATOM 690 ND2 ASN A 48 11.139 -1.634 -0.895 1.00 0.00 N ATOM 0 H ASN A 48 9.749 -5.654 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 48 10.912 -4.767 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.915 -4.034 -0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.747 -3.685 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.642 -0.744 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.753 -1.848 -0.109 1.00 0.00 H new ATOM 697 N THR A 49 12.754 -6.477 -3.282 1.00 0.00 N ATOM 698 CA THR A 49 13.648 -7.629 -3.271 1.00 0.00 C ATOM 699 C THR A 49 15.107 -7.188 -3.303 1.00 0.00 C ATOM 700 O THR A 49 15.730 -7.149 -4.365 1.00 0.00 O ATOM 701 CB THR A 49 13.379 -8.563 -4.465 1.00 0.00 C ATOM 702 OG1 THR A 49 13.565 -7.854 -5.695 1.00 0.00 O ATOM 703 CG2 THR A 49 11.966 -9.123 -4.407 1.00 0.00 C ATOM 0 H THR A 49 12.844 -5.881 -4.105 1.00 0.00 H new ATOM 0 HA THR A 49 13.453 -8.172 -2.346 1.00 0.00 H new ATOM 0 HB THR A 49 14.085 -9.392 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.447 -7.426 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.800 -9.780 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.836 -9.688 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.248 -8.303 -4.435 1.00 0.00 H new ATOM 711 N ILE A 50 15.642 -6.843 -2.137 1.00 0.00 N ATOM 712 CA ILE A 50 17.016 -6.368 -2.037 1.00 0.00 C ATOM 713 C ILE A 50 17.957 -7.485 -1.596 1.00 0.00 C ATOM 714 O ILE A 50 17.519 -8.501 -1.056 1.00 0.00 O ATOM 715 CB ILE A 50 17.133 -5.196 -1.044 1.00 0.00 C ATOM 716 CG1 ILE A 50 16.227 -4.042 -1.475 1.00 0.00 C ATOM 717 CG2 ILE A 50 18.579 -4.732 -0.938 1.00 0.00 C ATOM 718 CD1 ILE A 50 16.283 -2.849 -0.546 1.00 0.00 C ATOM 0 H ILE A 50 15.144 -6.884 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 50 17.304 -6.026 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 50 16.810 -5.539 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.510 -3.724 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.199 -4.400 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.645 -3.904 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.201 -5.556 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.928 -4.404 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.616 -2.070 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.971 -3.151 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.303 -2.465 -0.508 1.00 0.00 H new ATOM 730 N ASP A 51 19.250 -7.285 -1.824 1.00 0.00 N ATOM 731 CA ASP A 51 20.256 -8.267 -1.435 1.00 0.00 C ATOM 732 C ASP A 51 20.710 -8.036 0.002 1.00 0.00 C ATOM 733 O ASP A 51 20.528 -6.950 0.554 1.00 0.00 O ATOM 734 CB ASP A 51 21.458 -8.200 -2.379 1.00 0.00 C ATOM 735 CG ASP A 51 21.078 -8.485 -3.819 1.00 0.00 C ATOM 736 OD1 ASP A 51 21.117 -9.667 -4.219 1.00 0.00 O ATOM 737 OD2 ASP A 51 20.743 -7.527 -4.546 1.00 0.00 O ATOM 0 H ASP A 51 19.627 -6.452 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 51 19.807 -9.258 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 51 21.912 -7.211 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 51 22.211 -8.919 -2.056 1.00 0.00 H new ATOM 742 N VAL A 52 21.302 -9.062 0.604 1.00 0.00 N ATOM 743 CA VAL A 52 21.779 -8.969 1.980 1.00 0.00 C ATOM 744 C VAL A 52 22.831 -10.033 2.270 1.00 0.00 C ATOM 745 O VAL A 52 22.596 -10.952 3.054 1.00 0.00 O ATOM 746 CB VAL A 52 20.623 -9.119 2.985 1.00 0.00 C ATOM 747 CG1 VAL A 52 21.138 -9.015 4.412 1.00 0.00 C ATOM 748 CG2 VAL A 52 19.547 -8.076 2.722 1.00 0.00 C ATOM 0 H VAL A 52 21.463 -9.967 0.162 1.00 0.00 H new ATOM 0 HA VAL A 52 22.225 -7.981 2.095 1.00 0.00 H new ATOM 0 HB VAL A 52 20.179 -10.106 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 52 20.306 -9.123 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.868 -9.804 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.609 -8.043 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 52 18.738 -8.198 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.975 -7.079 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.156 -8.203 1.713 1.00 0.00 H new ATOM 758 N PRO A 53 24.009 -9.915 1.640 1.00 0.00 N ATOM 759 CA PRO A 53 25.110 -10.854 1.823 1.00 0.00 C ATOM 760 C PRO A 53 26.036 -10.459 2.970 1.00 0.00 C ATOM 761 O PRO A 53 27.113 -9.905 2.746 1.00 0.00 O ATOM 762 CB PRO A 53 25.842 -10.751 0.490 1.00 0.00 C ATOM 763 CG PRO A 53 25.662 -9.327 0.074 1.00 0.00 C ATOM 764 CD PRO A 53 24.362 -8.851 0.684 1.00 0.00 C ATOM 0 HA PRO A 53 24.767 -11.856 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 53 26.897 -11.003 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 53 25.423 -11.436 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 53 26.496 -8.716 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 53 25.632 -9.243 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.483 -7.890 1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 53 23.589 -8.722 -0.073 1.00 0.00 H new ATOM 772 N PRO A 54 25.629 -10.744 4.217 1.00 0.00 N ATOM 773 CA PRO A 54 26.431 -10.426 5.403 1.00 0.00 C ATOM 774 C PRO A 54 27.653 -11.328 5.534 1.00 0.00 C ATOM 775 O PRO A 54 27.713 -12.183 6.417 1.00 0.00 O ATOM 776 CB PRO A 54 25.460 -10.671 6.559 1.00 0.00 C ATOM 777 CG PRO A 54 24.505 -11.687 6.036 1.00 0.00 C ATOM 778 CD PRO A 54 24.357 -11.399 4.568 1.00 0.00 C ATOM 0 HA PRO A 54 26.829 -9.412 5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 54 25.981 -11.035 7.444 1.00 0.00 H new ATOM 0 HB3 PRO A 54 24.946 -9.754 6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 54 24.881 -12.697 6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 54 23.544 -11.618 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 54 24.204 -12.312 3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 54 23.503 -10.751 4.370 1.00 0.00 H new ATOM 786 N GLU A 55 28.625 -11.134 4.649 1.00 0.00 N ATOM 787 CA GLU A 55 29.843 -11.937 4.661 1.00 0.00 C ATOM 788 C GLU A 55 31.079 -11.056 4.507 1.00 0.00 C ATOM 789 O GLU A 55 31.745 -10.725 5.487 1.00 0.00 O ATOM 790 CB GLU A 55 29.802 -12.979 3.543 1.00 0.00 C ATOM 791 CG GLU A 55 28.633 -13.945 3.654 1.00 0.00 C ATOM 792 CD GLU A 55 28.646 -14.732 4.950 1.00 0.00 C ATOM 793 OE1 GLU A 55 29.149 -14.200 5.962 1.00 0.00 O ATOM 794 OE2 GLU A 55 28.156 -15.880 4.951 1.00 0.00 O ATOM 0 H GLU A 55 28.593 -10.427 3.914 1.00 0.00 H new ATOM 0 HA GLU A 55 29.902 -12.447 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 55 29.749 -12.467 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 55 30.733 -13.546 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 55 27.699 -13.388 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.658 -14.638 2.813 1.00 0.00 H new ATOM 801 N GLU A 56 31.381 -10.681 3.268 1.00 0.00 N ATOM 802 CA GLU A 56 32.539 -9.842 2.984 1.00 0.00 C ATOM 803 C GLU A 56 32.105 -8.460 2.506 1.00 0.00 C ATOM 804 O GLU A 56 32.779 -7.835 1.687 1.00 0.00 O ATOM 805 CB GLU A 56 33.427 -10.503 1.928 1.00 0.00 C ATOM 806 CG GLU A 56 32.722 -10.743 0.602 1.00 0.00 C ATOM 807 CD GLU A 56 32.218 -9.461 -0.029 1.00 0.00 C ATOM 808 OE1 GLU A 56 32.977 -8.844 -0.805 1.00 0.00 O ATOM 809 OE2 GLU A 56 31.064 -9.073 0.251 1.00 0.00 O ATOM 0 H GLU A 56 30.840 -10.945 2.445 1.00 0.00 H new ATOM 0 HA GLU A 56 33.108 -9.726 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 56 34.301 -9.875 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 56 33.789 -11.456 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.408 -11.237 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 31.883 -11.421 0.758 1.00 0.00 H new ATOM 816 N GLU A 57 30.975 -7.989 3.022 1.00 0.00 N ATOM 817 CA GLU A 57 30.449 -6.683 2.645 1.00 0.00 C ATOM 818 C GLU A 57 30.995 -5.590 3.559 1.00 0.00 C ATOM 819 O GLU A 57 30.265 -5.031 4.378 1.00 0.00 O ATOM 820 CB GLU A 57 28.920 -6.690 2.698 1.00 0.00 C ATOM 821 CG GLU A 57 28.292 -5.358 2.320 1.00 0.00 C ATOM 822 CD GLU A 57 28.649 -4.924 0.912 1.00 0.00 C ATOM 823 OE1 GLU A 57 27.907 -5.285 -0.026 1.00 0.00 O ATOM 824 OE2 GLU A 57 29.671 -4.226 0.747 1.00 0.00 O ATOM 0 H GLU A 57 30.406 -8.492 3.702 1.00 0.00 H new ATOM 0 HA GLU A 57 30.770 -6.472 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 57 28.545 -7.463 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 28.601 -6.960 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.208 -5.433 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.618 -4.594 3.025 1.00 0.00 H new ATOM 831 N CYS A 58 32.281 -5.289 3.410 1.00 0.00 N ATOM 832 CA CYS A 58 32.921 -4.252 4.211 1.00 0.00 C ATOM 833 C CYS A 58 32.881 -2.907 3.494 1.00 0.00 C ATOM 834 O CYS A 58 32.416 -2.810 2.358 1.00 0.00 O ATOM 835 CB CYS A 58 34.369 -4.636 4.520 1.00 0.00 C ATOM 836 SG CYS A 58 35.294 -3.363 5.439 1.00 0.00 S ATOM 0 H CYS A 58 32.900 -5.748 2.742 1.00 0.00 H new ATOM 0 HA CYS A 58 32.370 -4.160 5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 58 34.374 -5.561 5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 58 34.887 -4.842 3.583 1.00 0.00 H new ATOM 841 N GLU A 59 33.375 -1.871 4.164 1.00 0.00 N ATOM 842 CA GLU A 59 33.403 -0.531 3.590 1.00 0.00 C ATOM 843 C GLU A 59 34.830 0.000 3.516 1.00 0.00 C ATOM 844 O GLU A 59 35.060 1.141 3.116 1.00 0.00 O ATOM 845 CB GLU A 59 32.536 0.419 4.418 1.00 0.00 C ATOM 846 CG GLU A 59 31.077 0.000 4.495 1.00 0.00 C ATOM 847 CD GLU A 59 30.417 -0.068 3.132 1.00 0.00 C ATOM 848 OE1 GLU A 59 30.460 -1.147 2.504 1.00 0.00 O ATOM 849 OE2 GLU A 59 29.859 0.959 2.692 1.00 0.00 O ATOM 0 H GLU A 59 33.762 -1.934 5.106 1.00 0.00 H new ATOM 0 HA GLU A 59 33.003 -0.589 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 32.941 0.480 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 59 32.596 1.419 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 59 31.008 -0.975 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 59 30.533 0.705 5.123 1.00 0.00 H new ATOM 856 N PHE A 60 35.787 -0.837 3.906 1.00 0.00 N ATOM 857 CA PHE A 60 37.194 -0.452 3.885 1.00 0.00 C ATOM 858 C PHE A 60 37.988 -1.349 2.941 1.00 0.00 C ATOM 859 O PHE A 60 38.088 -1.005 1.745 1.00 0.00 O ATOM 860 CB PHE A 60 37.786 -0.526 5.294 1.00 0.00 C ATOM 861 CG PHE A 60 37.096 0.372 6.281 1.00 0.00 C ATOM 862 CD1 PHE A 60 37.517 1.680 6.459 1.00 0.00 C ATOM 863 CD2 PHE A 60 36.026 -0.091 7.030 1.00 0.00 C ATOM 864 CE1 PHE A 60 36.885 2.508 7.366 1.00 0.00 C ATOM 865 CE2 PHE A 60 35.390 0.732 7.938 1.00 0.00 C ATOM 866 CZ PHE A 60 35.820 2.034 8.107 1.00 0.00 C ATOM 867 OXT PHE A 60 38.505 -2.386 3.407 1.00 0.00 O ATOM 0 H PHE A 60 35.614 -1.785 4.240 1.00 0.00 H new ATOM 0 HA PHE A 60 37.259 0.575 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 60 37.730 -1.555 5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 60 38.842 -0.261 5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 60 38.349 2.056 5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 60 35.685 -1.108 6.902 1.00 0.00 H new ATOM 0 HE1 PHE A 60 37.223 3.525 7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 60 34.557 0.358 8.515 1.00 0.00 H new ATOM 0 HZ PHE A 60 35.325 2.680 8.817 1.00 0.00 H new TER 877 PHE A 60 ATOM 878 N GLU B 1 31.045 -3.154 17.720 1.00 0.00 N ATOM 879 CA GLU B 1 30.119 -3.641 16.666 1.00 0.00 C ATOM 880 C GLU B 1 29.969 -5.156 16.730 1.00 0.00 C ATOM 881 O GLU B 1 28.888 -5.671 17.018 1.00 0.00 O ATOM 882 CB GLU B 1 30.631 -3.229 15.283 1.00 0.00 C ATOM 883 CG GLU B 1 32.008 -3.782 14.956 1.00 0.00 C ATOM 884 CD GLU B 1 32.494 -3.358 13.584 1.00 0.00 C ATOM 885 OE1 GLU B 1 32.109 -2.258 13.131 1.00 0.00 O ATOM 886 OE2 GLU B 1 33.259 -4.124 12.961 1.00 0.00 O ATOM 0 H1 GLU B 1 30.703 -2.244 18.090 1.00 0.00 H new ATOM 0 H2 GLU B 1 31.087 -3.848 18.493 1.00 0.00 H new ATOM 0 H3 GLU B 1 31.995 -3.028 17.316 1.00 0.00 H new ATOM 0 HA GLU B 1 29.142 -3.189 16.838 1.00 0.00 H new ATOM 0 HB2 GLU B 1 29.923 -3.568 14.527 1.00 0.00 H new ATOM 0 HB3 GLU B 1 30.662 -2.141 15.225 1.00 0.00 H new ATOM 0 HG2 GLU B 1 32.720 -3.445 15.710 1.00 0.00 H new ATOM 0 HG3 GLU B 1 31.980 -4.870 15.008 1.00 0.00 H new ATOM 895 N ALA B 2 31.060 -5.866 16.461 1.00 0.00 N ATOM 896 CA ALA B 2 31.050 -7.323 16.492 1.00 0.00 C ATOM 897 C ALA B 2 32.374 -7.870 17.012 1.00 0.00 C ATOM 898 O ALA B 2 33.181 -8.400 16.249 1.00 0.00 O ATOM 899 CB ALA B 2 30.756 -7.878 15.106 1.00 0.00 C ATOM 0 H ALA B 2 31.962 -5.455 16.219 1.00 0.00 H new ATOM 0 HA ALA B 2 30.262 -7.642 17.174 1.00 0.00 H new ATOM 0 HB1 ALA B 2 30.752 -8.967 15.144 1.00 0.00 H new ATOM 0 HB2 ALA B 2 29.782 -7.523 14.771 1.00 0.00 H new ATOM 0 HB3 ALA B 2 31.524 -7.542 14.409 1.00 0.00 H new ATOM 905 N GLN B 3 32.593 -7.735 18.316 1.00 0.00 N ATOM 906 CA GLN B 3 33.822 -8.214 18.939 1.00 0.00 C ATOM 907 C GLN B 3 33.529 -8.892 20.273 1.00 0.00 C ATOM 908 O GLN B 3 32.403 -8.850 20.768 1.00 0.00 O ATOM 909 CB GLN B 3 34.797 -7.054 19.147 1.00 0.00 C ATOM 910 CG GLN B 3 35.214 -6.369 17.855 1.00 0.00 C ATOM 911 CD GLN B 3 34.039 -5.774 17.105 1.00 0.00 C ATOM 912 OE1 GLN B 3 34.049 -5.687 15.878 1.00 0.00 O ATOM 913 NE2 GLN B 3 33.015 -5.358 17.844 1.00 0.00 N ATOM 0 H GLN B 3 31.936 -7.298 18.962 1.00 0.00 H new ATOM 0 HA GLN B 3 34.276 -8.947 18.272 1.00 0.00 H new ATOM 0 HB2 GLN B 3 34.337 -6.318 19.806 1.00 0.00 H new ATOM 0 HB3 GLN B 3 35.687 -7.425 19.655 1.00 0.00 H new ATOM 0 HG2 GLN B 3 35.932 -5.581 18.081 1.00 0.00 H new ATOM 0 HG3 GLN B 3 35.722 -7.089 17.214 1.00 0.00 H new ATOM 0 HE21 GLN B 3 33.049 -5.449 18.859 1.00 0.00 H new ATOM 0 HE22 GLN B 3 32.196 -4.948 17.396 1.00 0.00 H new ATOM 922 N THR B 4 34.549 -9.522 20.847 1.00 0.00 N ATOM 923 CA THR B 4 34.399 -10.219 22.118 1.00 0.00 C ATOM 924 C THR B 4 35.277 -9.593 23.195 1.00 0.00 C ATOM 925 O THR B 4 35.698 -8.443 23.075 1.00 0.00 O ATOM 926 CB THR B 4 34.755 -11.711 21.986 1.00 0.00 C ATOM 927 OG1 THR B 4 36.109 -11.855 21.543 1.00 0.00 O ATOM 928 CG2 THR B 4 33.819 -12.407 21.009 1.00 0.00 C ATOM 0 H THR B 4 35.488 -9.564 20.451 1.00 0.00 H new ATOM 0 HA THR B 4 33.352 -10.127 22.407 1.00 0.00 H new ATOM 0 HB THR B 4 34.643 -12.176 22.965 1.00 0.00 H new ATOM 0 HG1 THR B 4 36.402 -11.026 21.110 1.00 0.00 H new ATOM 0 HG21 THR B 4 34.090 -13.460 20.933 1.00 0.00 H new ATOM 0 HG22 THR B 4 32.792 -12.322 21.365 1.00 0.00 H new ATOM 0 HG23 THR B 4 33.903 -11.939 20.028 1.00 0.00 H new ATOM 936 N GLU B 5 35.548 -10.356 24.249 1.00 0.00 N ATOM 937 CA GLU B 5 36.372 -9.871 25.351 1.00 0.00 C ATOM 938 C GLU B 5 37.728 -10.568 25.366 1.00 0.00 C ATOM 939 O GLU B 5 37.836 -11.746 25.027 1.00 0.00 O ATOM 940 CB GLU B 5 35.656 -10.089 26.684 1.00 0.00 C ATOM 941 CG GLU B 5 34.328 -9.358 26.787 1.00 0.00 C ATOM 942 CD GLU B 5 34.480 -7.854 26.665 1.00 0.00 C ATOM 943 OE1 GLU B 5 35.544 -7.332 27.059 1.00 0.00 O ATOM 944 OE2 GLU B 5 33.537 -7.200 26.174 1.00 0.00 O ATOM 0 H GLU B 5 35.210 -11.311 24.363 1.00 0.00 H new ATOM 0 HA GLU B 5 36.537 -8.803 25.206 1.00 0.00 H new ATOM 0 HB2 GLU B 5 35.486 -11.156 26.825 1.00 0.00 H new ATOM 0 HB3 GLU B 5 36.306 -9.760 27.494 1.00 0.00 H new ATOM 0 HG2 GLU B 5 33.658 -9.717 26.005 1.00 0.00 H new ATOM 0 HG3 GLU B 5 33.859 -9.596 27.742 1.00 0.00 H new ATOM 951 N THR B 6 38.761 -9.831 25.762 1.00 0.00 N ATOM 952 CA THR B 6 40.112 -10.373 25.817 1.00 0.00 C ATOM 953 C THR B 6 40.928 -9.698 26.913 1.00 0.00 C ATOM 954 O THR B 6 40.624 -8.579 27.326 1.00 0.00 O ATOM 955 CB THR B 6 40.838 -10.203 24.470 1.00 0.00 C ATOM 956 OG1 THR B 6 40.108 -10.866 23.431 1.00 0.00 O ATOM 957 CG2 THR B 6 42.249 -10.765 24.541 1.00 0.00 C ATOM 0 H THR B 6 38.687 -8.855 26.050 1.00 0.00 H new ATOM 0 HA THR B 6 40.021 -11.436 26.039 1.00 0.00 H new ATOM 0 HB THR B 6 40.898 -9.137 24.248 1.00 0.00 H new ATOM 0 HG1 THR B 6 40.576 -10.751 22.578 1.00 0.00 H new ATOM 0 HG21 THR B 6 42.742 -10.633 23.578 1.00 0.00 H new ATOM 0 HG22 THR B 6 42.812 -10.238 25.312 1.00 0.00 H new ATOM 0 HG23 THR B 6 42.206 -11.827 24.785 1.00 0.00 H new ATOM 965 N CYS B 7 41.960 -10.387 27.391 1.00 0.00 N ATOM 966 CA CYS B 7 42.797 -9.860 28.462 1.00 0.00 C ATOM 967 C CYS B 7 44.261 -9.784 28.035 1.00 0.00 C ATOM 968 O CYS B 7 45.096 -9.229 28.750 1.00 0.00 O ATOM 969 CB CYS B 7 42.667 -10.727 29.717 1.00 0.00 C ATOM 970 SG CYS B 7 40.989 -10.767 30.427 1.00 0.00 S ATOM 0 H CYS B 7 42.236 -11.309 27.054 1.00 0.00 H new ATOM 0 HA CYS B 7 42.452 -8.850 28.686 1.00 0.00 H new ATOM 0 HB2 CYS B 7 42.971 -11.745 29.475 1.00 0.00 H new ATOM 0 HB3 CYS B 7 43.361 -10.359 30.473 1.00 0.00 H new ATOM 975 N THR B 8 44.569 -10.347 26.871 1.00 0.00 N ATOM 976 CA THR B 8 45.938 -10.352 26.368 1.00 0.00 C ATOM 977 C THR B 8 46.338 -8.974 25.851 1.00 0.00 C ATOM 978 O THR B 8 46.274 -8.706 24.652 1.00 0.00 O ATOM 979 CB THR B 8 46.125 -11.384 25.240 1.00 0.00 C ATOM 980 OG1 THR B 8 47.490 -11.393 24.807 1.00 0.00 O ATOM 981 CG2 THR B 8 45.218 -11.066 24.061 1.00 0.00 C ATOM 0 H THR B 8 43.892 -10.804 26.260 1.00 0.00 H new ATOM 0 HA THR B 8 46.579 -10.625 27.206 1.00 0.00 H new ATOM 0 HB THR B 8 45.860 -12.367 25.629 1.00 0.00 H new ATOM 0 HG1 THR B 8 47.602 -12.053 24.091 1.00 0.00 H new ATOM 0 HG21 THR B 8 45.367 -11.808 23.277 1.00 0.00 H new ATOM 0 HG22 THR B 8 44.178 -11.086 24.386 1.00 0.00 H new ATOM 0 HG23 THR B 8 45.458 -10.076 23.674 1.00 0.00 H new ATOM 989 N VAL B 9 46.756 -8.105 26.766 1.00 0.00 N ATOM 990 CA VAL B 9 47.178 -6.757 26.403 1.00 0.00 C ATOM 991 C VAL B 9 48.549 -6.436 26.987 1.00 0.00 C ATOM 992 O VAL B 9 49.125 -7.235 27.724 1.00 0.00 O ATOM 993 CB VAL B 9 46.167 -5.701 26.890 1.00 0.00 C ATOM 994 CG1 VAL B 9 46.633 -4.302 26.519 1.00 0.00 C ATOM 995 CG2 VAL B 9 44.786 -5.980 26.317 1.00 0.00 C ATOM 0 H VAL B 9 46.811 -8.310 27.764 1.00 0.00 H new ATOM 0 HA VAL B 9 47.231 -6.724 25.315 1.00 0.00 H new ATOM 0 HB VAL B 9 46.104 -5.761 27.977 1.00 0.00 H new ATOM 0 HG11 VAL B 9 45.906 -3.571 26.872 1.00 0.00 H new ATOM 0 HG12 VAL B 9 47.599 -4.105 26.983 1.00 0.00 H new ATOM 0 HG13 VAL B 9 46.728 -4.226 25.436 1.00 0.00 H new ATOM 0 HG21 VAL B 9 44.085 -5.224 26.672 1.00 0.00 H new ATOM 0 HG22 VAL B 9 44.831 -5.951 25.228 1.00 0.00 H new ATOM 0 HG23 VAL B 9 44.451 -6.966 26.640 1.00 0.00 H new ATOM 1005 N ALA B 10 49.066 -5.258 26.653 1.00 0.00 N ATOM 1006 CA ALA B 10 50.367 -4.826 27.148 1.00 0.00 C ATOM 1007 C ALA B 10 50.245 -4.195 28.531 1.00 0.00 C ATOM 1008 O ALA B 10 49.433 -3.295 28.743 1.00 0.00 O ATOM 1009 CB ALA B 10 51.005 -3.849 26.173 1.00 0.00 C ATOM 0 H ALA B 10 48.603 -4.586 26.041 1.00 0.00 H new ATOM 0 HA ALA B 10 51.006 -5.705 27.234 1.00 0.00 H new ATOM 0 HB1 ALA B 10 51.976 -3.535 26.556 1.00 0.00 H new ATOM 0 HB2 ALA B 10 51.136 -4.334 25.205 1.00 0.00 H new ATOM 0 HB3 ALA B 10 50.361 -2.977 26.058 1.00 0.00 H new ATOM 1015 N PRO B 11 51.054 -4.668 29.491 1.00 0.00 N ATOM 1016 CA PRO B 11 51.038 -4.159 30.863 1.00 0.00 C ATOM 1017 C PRO B 11 50.934 -2.639 30.918 1.00 0.00 C ATOM 1018 O PRO B 11 49.930 -2.092 31.375 1.00 0.00 O ATOM 1019 CB PRO B 11 52.382 -4.629 31.413 1.00 0.00 C ATOM 1020 CG PRO B 11 52.659 -5.899 30.682 1.00 0.00 C ATOM 1021 CD PRO B 11 52.050 -5.741 29.312 1.00 0.00 C ATOM 0 HA PRO B 11 50.177 -4.516 31.429 1.00 0.00 H new ATOM 0 HB2 PRO B 11 53.164 -3.890 31.236 1.00 0.00 H new ATOM 0 HB3 PRO B 11 52.335 -4.792 32.490 1.00 0.00 H new ATOM 0 HG2 PRO B 11 53.731 -6.081 30.612 1.00 0.00 H new ATOM 0 HG3 PRO B 11 52.224 -6.751 31.205 1.00 0.00 H new ATOM 0 HD2 PRO B 11 52.801 -5.470 28.569 1.00 0.00 H new ATOM 0 HD3 PRO B 11 51.585 -6.666 28.972 1.00 0.00 H new ATOM 1029 N ARG B 12 51.973 -1.961 30.445 1.00 0.00 N ATOM 1030 CA ARG B 12 51.986 -0.502 30.424 1.00 0.00 C ATOM 1031 C ARG B 12 50.756 0.041 29.703 1.00 0.00 C ATOM 1032 O ARG B 12 50.276 1.132 30.011 1.00 0.00 O ATOM 1033 CB ARG B 12 53.259 0.010 29.746 1.00 0.00 C ATOM 1034 CG ARG B 12 53.423 -0.473 28.315 1.00 0.00 C ATOM 1035 CD ARG B 12 53.517 -1.989 28.246 1.00 0.00 C ATOM 1036 NE ARG B 12 54.641 -2.503 29.022 1.00 0.00 N ATOM 1037 CZ ARG B 12 55.035 -3.772 28.999 1.00 0.00 C ATOM 1038 NH1 ARG B 12 54.402 -4.651 28.234 1.00 0.00 N ATOM 1039 NH2 ARG B 12 56.064 -4.163 29.738 1.00 0.00 N ATOM 0 H ARG B 12 52.816 -2.396 30.071 1.00 0.00 H new ATOM 0 HA ARG B 12 51.967 -0.148 31.455 1.00 0.00 H new ATOM 0 HB2 ARG B 12 53.252 1.100 29.754 1.00 0.00 H new ATOM 0 HB3 ARG B 12 54.124 -0.307 30.329 1.00 0.00 H new ATOM 0 HG2 ARG B 12 52.579 -0.132 27.716 1.00 0.00 H new ATOM 0 HG3 ARG B 12 54.320 -0.032 27.881 1.00 0.00 H new ATOM 0 HD2 ARG B 12 52.590 -2.427 28.617 1.00 0.00 H new ATOM 0 HD3 ARG B 12 53.622 -2.299 27.206 1.00 0.00 H new ATOM 0 HE ARG B 12 55.153 -1.851 29.616 1.00 0.00 H new ATOM 0 HH11 ARG B 12 53.612 -4.353 27.662 1.00 0.00 H new ATOM 0 HH12 ARG B 12 54.706 -5.625 28.217 1.00 0.00 H new ATOM 0 HH21 ARG B 12 56.555 -3.489 30.326 1.00 0.00 H new ATOM 0 HH22 ARG B 12 56.365 -5.138 29.719 1.00 0.00 H new ATOM 1053 N GLU B 13 50.253 -0.726 28.741 1.00 0.00 N ATOM 1054 CA GLU B 13 49.079 -0.322 27.975 1.00 0.00 C ATOM 1055 C GLU B 13 47.805 -0.892 28.589 1.00 0.00 C ATOM 1056 O GLU B 13 46.786 -1.033 27.911 1.00 0.00 O ATOM 1057 CB GLU B 13 49.209 -0.783 26.522 1.00 0.00 C ATOM 1058 CG GLU B 13 50.420 -0.206 25.808 1.00 0.00 C ATOM 1059 CD GLU B 13 50.529 -0.679 24.372 1.00 0.00 C ATOM 1060 OE1 GLU B 13 50.084 -1.809 24.083 1.00 0.00 O ATOM 1061 OE2 GLU B 13 51.062 0.081 23.536 1.00 0.00 O ATOM 0 H GLU B 13 50.640 -1.631 28.473 1.00 0.00 H new ATOM 0 HA GLU B 13 49.017 0.766 28.000 1.00 0.00 H new ATOM 0 HB2 GLU B 13 49.268 -1.871 26.498 1.00 0.00 H new ATOM 0 HB3 GLU B 13 48.308 -0.501 25.978 1.00 0.00 H new ATOM 0 HG2 GLU B 13 50.363 0.882 25.825 1.00 0.00 H new ATOM 0 HG3 GLU B 13 51.324 -0.486 26.349 1.00 0.00 H new ATOM 1068 N ARG B 14 47.868 -1.219 29.875 1.00 0.00 N ATOM 1069 CA ARG B 14 46.719 -1.775 30.580 1.00 0.00 C ATOM 1070 C ARG B 14 45.996 -0.695 31.379 1.00 0.00 C ATOM 1071 O ARG B 14 46.628 0.186 31.963 1.00 0.00 O ATOM 1072 CB ARG B 14 47.162 -2.904 31.511 1.00 0.00 C ATOM 1073 CG ARG B 14 47.844 -4.055 30.789 1.00 0.00 C ATOM 1074 CD ARG B 14 48.257 -5.154 31.753 1.00 0.00 C ATOM 1075 NE ARG B 14 48.915 -6.263 31.068 1.00 0.00 N ATOM 1076 CZ ARG B 14 49.530 -7.258 31.701 1.00 0.00 C ATOM 1077 NH1 ARG B 14 49.570 -7.279 33.026 1.00 0.00 N ATOM 1078 NH2 ARG B 14 50.105 -8.231 31.009 1.00 0.00 N ATOM 0 H ARG B 14 48.703 -1.109 30.451 1.00 0.00 H new ATOM 0 HA ARG B 14 46.029 -2.176 29.838 1.00 0.00 H new ATOM 0 HB2 ARG B 14 47.844 -2.500 32.259 1.00 0.00 H new ATOM 0 HB3 ARG B 14 46.292 -3.286 32.045 1.00 0.00 H new ATOM 0 HG2 ARG B 14 47.169 -4.464 30.037 1.00 0.00 H new ATOM 0 HG3 ARG B 14 48.723 -3.684 30.261 1.00 0.00 H new ATOM 0 HD2 ARG B 14 48.930 -4.742 32.506 1.00 0.00 H new ATOM 0 HD3 ARG B 14 47.377 -5.524 32.280 1.00 0.00 H new ATOM 0 HE ARG B 14 48.902 -6.275 30.048 1.00 0.00 H new ATOM 0 HH11 ARG B 14 49.129 -6.531 33.561 1.00 0.00 H new ATOM 0 HH12 ARG B 14 50.042 -8.043 33.510 1.00 0.00 H new ATOM 0 HH21 ARG B 14 50.076 -8.217 29.989 1.00 0.00 H new ATOM 0 HH22 ARG B 14 50.576 -8.993 31.496 1.00 0.00 H new ATOM 1092 N GLN B 15 44.670 -0.768 31.396 1.00 0.00 N ATOM 1093 CA GLN B 15 43.861 0.207 32.119 1.00 0.00 C ATOM 1094 C GLN B 15 43.656 -0.222 33.568 1.00 0.00 C ATOM 1095 O GLN B 15 42.606 -0.758 33.925 1.00 0.00 O ATOM 1096 CB GLN B 15 42.507 0.385 31.429 1.00 0.00 C ATOM 1097 CG GLN B 15 42.614 0.889 29.999 1.00 0.00 C ATOM 1098 CD GLN B 15 43.297 2.238 29.905 1.00 0.00 C ATOM 1099 OE1 GLN B 15 43.216 3.053 30.825 1.00 0.00 O ATOM 1100 NE2 GLN B 15 43.976 2.483 28.791 1.00 0.00 N ATOM 0 H GLN B 15 44.133 -1.491 30.918 1.00 0.00 H new ATOM 0 HA GLN B 15 44.392 1.159 32.115 1.00 0.00 H new ATOM 0 HB2 GLN B 15 41.980 -0.569 31.431 1.00 0.00 H new ATOM 0 HB3 GLN B 15 41.903 1.084 32.007 1.00 0.00 H new ATOM 0 HG2 GLN B 15 43.168 0.164 29.403 1.00 0.00 H new ATOM 0 HG3 GLN B 15 41.616 0.961 29.568 1.00 0.00 H new ATOM 0 HE21 GLN B 15 44.017 1.779 28.054 1.00 0.00 H new ATOM 0 HE22 GLN B 15 44.457 3.375 28.672 1.00 0.00 H new ATOM 1109 N ASN B 16 44.663 0.022 34.400 1.00 0.00 N ATOM 1110 CA ASN B 16 44.590 -0.326 35.814 1.00 0.00 C ATOM 1111 C ASN B 16 43.137 -0.396 36.275 1.00 0.00 C ATOM 1112 O ASN B 16 42.316 0.442 35.900 1.00 0.00 O ATOM 1113 CB ASN B 16 45.362 0.698 36.650 1.00 0.00 C ATOM 1114 CG ASN B 16 45.399 0.343 38.124 1.00 0.00 C ATOM 1115 OD1 ASN B 16 46.363 0.654 38.824 1.00 0.00 O ATOM 1116 ND2 ASN B 16 44.347 -0.308 38.606 1.00 0.00 N ATOM 0 H ASN B 16 45.540 0.460 34.119 1.00 0.00 H new ATOM 0 HA ASN B 16 45.043 -1.308 35.953 1.00 0.00 H new ATOM 0 HB2 ASN B 16 46.382 0.773 36.273 1.00 0.00 H new ATOM 0 HB3 ASN B 16 44.904 1.680 36.528 1.00 0.00 H new ATOM 0 HD21 ASN B 16 44.317 -0.570 39.591 1.00 0.00 H new ATOM 0 HD22 ASN B 16 43.569 -0.546 37.991 1.00 0.00 H new ATOM 1123 N CYS B 17 42.822 -1.405 37.080 1.00 0.00 N ATOM 1124 CA CYS B 17 41.464 -1.596 37.574 1.00 0.00 C ATOM 1125 C CYS B 17 41.473 -1.864 39.072 1.00 0.00 C ATOM 1126 O CYS B 17 40.429 -2.102 39.681 1.00 0.00 O ATOM 1127 CB CYS B 17 40.789 -2.753 36.837 1.00 0.00 C ATOM 1128 SG CYS B 17 39.104 -3.128 37.420 1.00 0.00 S ATOM 0 H CYS B 17 43.490 -2.104 37.404 1.00 0.00 H new ATOM 0 HA CYS B 17 40.899 -0.683 37.388 1.00 0.00 H new ATOM 0 HB2 CYS B 17 40.749 -2.518 35.773 1.00 0.00 H new ATOM 0 HB3 CYS B 17 41.405 -3.646 36.943 1.00 0.00 H new ATOM 1133 N GLY B 18 42.662 -1.820 39.660 1.00 0.00 N ATOM 1134 CA GLY B 18 42.800 -2.049 41.084 1.00 0.00 C ATOM 1135 C GLY B 18 44.062 -1.428 41.646 1.00 0.00 C ATOM 1136 O GLY B 18 44.406 -0.294 41.312 1.00 0.00 O ATOM 0 H GLY B 18 43.537 -1.629 39.172 1.00 0.00 H new ATOM 0 HA2 GLY B 18 41.934 -1.637 41.602 1.00 0.00 H new ATOM 0 HA3 GLY B 18 42.808 -3.122 41.278 1.00 0.00 H new ATOM 1140 N PHE B 19 44.754 -2.173 42.498 1.00 0.00 N ATOM 1141 CA PHE B 19 45.996 -1.697 43.097 1.00 0.00 C ATOM 1142 C PHE B 19 47.205 -2.387 42.471 1.00 0.00 C ATOM 1143 O PHE B 19 47.060 -3.322 41.685 1.00 0.00 O ATOM 1144 CB PHE B 19 45.979 -1.920 44.610 1.00 0.00 C ATOM 1145 CG PHE B 19 45.726 -3.346 45.012 1.00 0.00 C ATOM 1146 CD1 PHE B 19 44.461 -3.899 44.892 1.00 0.00 C ATOM 1147 CD2 PHE B 19 46.752 -4.130 45.517 1.00 0.00 C ATOM 1148 CE1 PHE B 19 44.224 -5.207 45.267 1.00 0.00 C ATOM 1149 CE2 PHE B 19 46.520 -5.439 45.892 1.00 0.00 C ATOM 1150 CZ PHE B 19 45.254 -5.979 45.768 1.00 0.00 C ATOM 0 H PHE B 19 44.477 -3.110 42.791 1.00 0.00 H new ATOM 0 HA PHE B 19 46.077 -0.628 42.902 1.00 0.00 H new ATOM 0 HB2 PHE B 19 46.934 -1.600 45.025 1.00 0.00 H new ATOM 0 HB3 PHE B 19 45.210 -1.286 45.052 1.00 0.00 H new ATOM 0 HD1 PHE B 19 43.651 -3.301 44.501 1.00 0.00 H new ATOM 0 HD2 PHE B 19 47.743 -3.713 45.618 1.00 0.00 H new ATOM 0 HE1 PHE B 19 43.234 -5.626 45.169 1.00 0.00 H new ATOM 0 HE2 PHE B 19 47.328 -6.040 46.282 1.00 0.00 H new ATOM 0 HZ PHE B 19 45.070 -7.002 46.062 1.00 0.00 H new ATOM 1160 N PRO B 20 48.416 -1.917 42.806 1.00 0.00 N ATOM 1161 CA PRO B 20 49.662 -2.462 42.253 1.00 0.00 C ATOM 1162 C PRO B 20 49.889 -3.915 42.655 1.00 0.00 C ATOM 1163 O PRO B 20 50.788 -4.578 42.137 1.00 0.00 O ATOM 1164 CB PRO B 20 50.749 -1.564 42.852 1.00 0.00 C ATOM 1165 CG PRO B 20 50.126 -0.956 44.061 1.00 0.00 C ATOM 1166 CD PRO B 20 48.665 -0.809 43.742 1.00 0.00 C ATOM 0 HA PRO B 20 49.652 -2.467 41.163 1.00 0.00 H new ATOM 0 HB2 PRO B 20 51.637 -2.140 43.113 1.00 0.00 H new ATOM 0 HB3 PRO B 20 51.063 -0.798 42.143 1.00 0.00 H new ATOM 0 HG2 PRO B 20 50.273 -1.589 44.936 1.00 0.00 H new ATOM 0 HG3 PRO B 20 50.575 0.011 44.288 1.00 0.00 H new ATOM 0 HD2 PRO B 20 48.047 -0.890 44.636 1.00 0.00 H new ATOM 0 HD3 PRO B 20 48.446 0.158 43.289 1.00 0.00 H new ATOM 1174 N GLY B 21 49.075 -4.404 43.584 1.00 0.00 N ATOM 1175 CA GLY B 21 49.210 -5.774 44.040 1.00 0.00 C ATOM 1176 C GLY B 21 47.899 -6.534 43.998 1.00 0.00 C ATOM 1177 O GLY B 21 47.679 -7.449 44.791 1.00 0.00 O ATOM 0 H GLY B 21 48.324 -3.876 44.029 1.00 0.00 H new ATOM 0 HA2 GLY B 21 49.944 -6.289 43.420 1.00 0.00 H new ATOM 0 HA3 GLY B 21 49.595 -5.777 45.060 1.00 0.00 H new ATOM 1181 N VAL B 22 47.024 -6.151 43.074 1.00 0.00 N ATOM 1182 CA VAL B 22 45.724 -6.796 42.942 1.00 0.00 C ATOM 1183 C VAL B 22 45.862 -8.313 42.894 1.00 0.00 C ATOM 1184 O VAL B 22 46.940 -8.842 42.621 1.00 0.00 O ATOM 1185 CB VAL B 22 44.981 -6.319 41.680 1.00 0.00 C ATOM 1186 CG1 VAL B 22 44.702 -4.826 41.755 1.00 0.00 C ATOM 1187 CG2 VAL B 22 45.781 -6.656 40.430 1.00 0.00 C ATOM 0 H VAL B 22 47.192 -5.398 42.407 1.00 0.00 H new ATOM 0 HA VAL B 22 45.145 -6.515 43.822 1.00 0.00 H new ATOM 0 HB VAL B 22 44.026 -6.841 41.625 1.00 0.00 H new ATOM 0 HG11 VAL B 22 44.177 -4.508 40.854 1.00 0.00 H new ATOM 0 HG12 VAL B 22 44.085 -4.615 42.629 1.00 0.00 H new ATOM 0 HG13 VAL B 22 45.644 -4.283 41.836 1.00 0.00 H new ATOM 0 HG21 VAL B 22 45.241 -6.312 39.548 1.00 0.00 H new ATOM 0 HG22 VAL B 22 46.752 -6.163 40.476 1.00 0.00 H new ATOM 0 HG23 VAL B 22 45.924 -7.735 40.369 1.00 0.00 H new ATOM 1197 N THR B 23 44.761 -9.008 43.163 1.00 0.00 N ATOM 1198 CA THR B 23 44.754 -10.465 43.161 1.00 0.00 C ATOM 1199 C THR B 23 43.519 -10.999 42.442 1.00 0.00 C ATOM 1200 O THR B 23 42.657 -10.229 42.023 1.00 0.00 O ATOM 1201 CB THR B 23 44.784 -11.025 44.595 1.00 0.00 C ATOM 1202 OG1 THR B 23 43.643 -10.562 45.326 1.00 0.00 O ATOM 1203 CG2 THR B 23 46.057 -10.603 45.313 1.00 0.00 C ATOM 0 H THR B 23 43.861 -8.583 43.386 1.00 0.00 H new ATOM 0 HA THR B 23 45.651 -10.792 42.634 1.00 0.00 H new ATOM 0 HB THR B 23 44.761 -12.113 44.537 1.00 0.00 H new ATOM 0 HG1 THR B 23 43.590 -11.034 46.183 1.00 0.00 H new ATOM 0 HG21 THR B 23 46.056 -11.010 46.324 1.00 0.00 H new ATOM 0 HG22 THR B 23 46.923 -10.981 44.770 1.00 0.00 H new ATOM 0 HG23 THR B 23 46.105 -9.515 45.360 1.00 0.00 H new ATOM 1211 N PRO B 24 43.415 -12.329 42.297 1.00 0.00 N ATOM 1212 CA PRO B 24 42.265 -12.965 41.648 1.00 0.00 C ATOM 1213 C PRO B 24 40.942 -12.536 42.276 1.00 0.00 C ATOM 1214 O PRO B 24 39.969 -12.267 41.572 1.00 0.00 O ATOM 1215 CB PRO B 24 42.501 -14.467 41.864 1.00 0.00 C ATOM 1216 CG PRO B 24 43.570 -14.559 42.903 1.00 0.00 C ATOM 1217 CD PRO B 24 44.398 -13.317 42.758 1.00 0.00 C ATOM 0 HA PRO B 24 42.190 -12.687 40.597 1.00 0.00 H new ATOM 0 HB2 PRO B 24 41.589 -14.964 42.195 1.00 0.00 H new ATOM 0 HB3 PRO B 24 42.811 -14.952 40.939 1.00 0.00 H new ATOM 0 HG2 PRO B 24 43.138 -14.625 43.902 1.00 0.00 H new ATOM 0 HG3 PRO B 24 44.178 -15.452 42.759 1.00 0.00 H new ATOM 0 HD2 PRO B 24 44.856 -13.023 43.702 1.00 0.00 H new ATOM 0 HD3 PRO B 24 45.206 -13.450 42.039 1.00 0.00 H new ATOM 1225 N SER B 25 40.917 -12.468 43.603 1.00 0.00 N ATOM 1226 CA SER B 25 39.719 -12.052 44.325 1.00 0.00 C ATOM 1227 C SER B 25 39.595 -10.532 44.341 1.00 0.00 C ATOM 1228 O SER B 25 38.524 -9.983 44.079 1.00 0.00 O ATOM 1229 CB SER B 25 39.748 -12.588 45.757 1.00 0.00 C ATOM 1230 OG SER B 25 40.878 -12.101 46.461 1.00 0.00 O ATOM 0 H SER B 25 41.712 -12.695 44.200 1.00 0.00 H new ATOM 0 HA SER B 25 38.852 -12.465 43.808 1.00 0.00 H new ATOM 0 HB2 SER B 25 38.837 -12.294 46.277 1.00 0.00 H new ATOM 0 HB3 SER B 25 39.768 -13.678 45.740 1.00 0.00 H new ATOM 0 HG SER B 25 40.873 -12.457 47.374 1.00 0.00 H new ATOM 1236 N GLN B 26 40.697 -9.857 44.650 1.00 0.00 N ATOM 1237 CA GLN B 26 40.715 -8.400 44.702 1.00 0.00 C ATOM 1238 C GLN B 26 40.273 -7.800 43.371 1.00 0.00 C ATOM 1239 O GLN B 26 39.573 -6.789 43.334 1.00 0.00 O ATOM 1240 CB GLN B 26 42.116 -7.900 45.058 1.00 0.00 C ATOM 1241 CG GLN B 26 42.614 -8.393 46.407 1.00 0.00 C ATOM 1242 CD GLN B 26 41.737 -7.935 47.554 1.00 0.00 C ATOM 1243 OE1 GLN B 26 41.617 -8.618 48.570 1.00 0.00 O ATOM 1244 NE2 GLN B 26 41.116 -6.771 47.396 1.00 0.00 N ATOM 0 H GLN B 26 41.591 -10.297 44.869 1.00 0.00 H new ATOM 0 HA GLN B 26 40.014 -8.081 45.473 1.00 0.00 H new ATOM 0 HB2 GLN B 26 42.814 -8.219 44.284 1.00 0.00 H new ATOM 0 HB3 GLN B 26 42.115 -6.810 45.057 1.00 0.00 H new ATOM 0 HG2 GLN B 26 42.656 -9.482 46.399 1.00 0.00 H new ATOM 0 HG3 GLN B 26 43.631 -8.036 46.567 1.00 0.00 H new ATOM 0 HE21 GLN B 26 41.244 -6.237 46.536 1.00 0.00 H new ATOM 0 HE22 GLN B 26 40.511 -6.411 48.134 1.00 0.00 H new ATOM 1253 N CYS B 27 40.695 -8.428 42.277 1.00 0.00 N ATOM 1254 CA CYS B 27 40.362 -7.947 40.942 1.00 0.00 C ATOM 1255 C CYS B 27 38.901 -8.236 40.612 1.00 0.00 C ATOM 1256 O CYS B 27 38.140 -7.330 40.271 1.00 0.00 O ATOM 1257 CB CYS B 27 41.272 -8.601 39.900 1.00 0.00 C ATOM 1258 SG CYS B 27 41.017 -7.994 38.201 1.00 0.00 S ATOM 0 H CYS B 27 41.268 -9.271 42.290 1.00 0.00 H new ATOM 0 HA CYS B 27 40.515 -6.868 40.921 1.00 0.00 H new ATOM 0 HB2 CYS B 27 42.311 -8.431 40.183 1.00 0.00 H new ATOM 0 HB3 CYS B 27 41.110 -9.679 39.917 1.00 0.00 H new ATOM 1263 N ALA B 28 38.512 -9.502 40.728 1.00 0.00 N ATOM 1264 CA ALA B 28 37.133 -9.901 40.476 1.00 0.00 C ATOM 1265 C ALA B 28 36.160 -8.966 41.185 1.00 0.00 C ATOM 1266 O ALA B 28 35.087 -8.659 40.665 1.00 0.00 O ATOM 1267 CB ALA B 28 36.911 -11.338 40.923 1.00 0.00 C ATOM 0 H ALA B 28 39.131 -10.267 40.994 1.00 0.00 H new ATOM 0 HA ALA B 28 36.947 -9.835 39.404 1.00 0.00 H new ATOM 0 HB1 ALA B 28 35.877 -11.624 40.729 1.00 0.00 H new ATOM 0 HB2 ALA B 28 37.580 -11.998 40.371 1.00 0.00 H new ATOM 0 HB3 ALA B 28 37.117 -11.423 41.990 1.00 0.00 H new ATOM 1273 N ASN B 29 36.548 -8.507 42.371 1.00 0.00 N ATOM 1274 CA ASN B 29 35.727 -7.578 43.137 1.00 0.00 C ATOM 1275 C ASN B 29 35.369 -6.355 42.300 1.00 0.00 C ATOM 1276 O ASN B 29 34.326 -5.734 42.503 1.00 0.00 O ATOM 1277 CB ASN B 29 36.465 -7.143 44.406 1.00 0.00 C ATOM 1278 CG ASN B 29 35.656 -6.171 45.241 1.00 0.00 C ATOM 1279 OD1 ASN B 29 34.426 -6.206 45.240 1.00 0.00 O ATOM 1280 ND2 ASN B 29 36.347 -5.296 45.963 1.00 0.00 N ATOM 0 H ASN B 29 37.426 -8.764 42.822 1.00 0.00 H new ATOM 0 HA ASN B 29 34.805 -8.088 43.416 1.00 0.00 H new ATOM 0 HB2 ASN B 29 36.702 -8.023 45.005 1.00 0.00 H new ATOM 0 HB3 ASN B 29 37.413 -6.680 44.131 1.00 0.00 H new ATOM 0 HD21 ASN B 29 35.858 -4.617 46.547 1.00 0.00 H new ATOM 0 HD22 ASN B 29 37.367 -5.303 45.934 1.00 0.00 H new ATOM 1287 N LYS B 30 36.239 -6.021 41.353 1.00 0.00 N ATOM 1288 CA LYS B 30 36.007 -4.886 40.466 1.00 0.00 C ATOM 1289 C LYS B 30 35.477 -5.356 39.115 1.00 0.00 C ATOM 1290 O LYS B 30 34.769 -4.623 38.426 1.00 0.00 O ATOM 1291 CB LYS B 30 37.299 -4.091 40.273 1.00 0.00 C ATOM 1292 CG LYS B 30 37.866 -3.529 41.565 1.00 0.00 C ATOM 1293 CD LYS B 30 36.878 -2.603 42.257 1.00 0.00 C ATOM 1294 CE LYS B 30 36.549 -1.392 41.399 1.00 0.00 C ATOM 1295 NZ LYS B 30 35.920 -1.775 40.105 1.00 0.00 N ATOM 0 H LYS B 30 37.112 -6.520 41.180 1.00 0.00 H new ATOM 0 HA LYS B 30 35.259 -4.241 40.926 1.00 0.00 H new ATOM 0 HB2 LYS B 30 38.046 -4.735 39.808 1.00 0.00 H new ATOM 0 HB3 LYS B 30 37.111 -3.270 39.581 1.00 0.00 H new ATOM 0 HG2 LYS B 30 38.127 -4.348 42.235 1.00 0.00 H new ATOM 0 HG3 LYS B 30 38.787 -2.985 41.352 1.00 0.00 H new ATOM 0 HD2 LYS B 30 35.962 -3.150 42.482 1.00 0.00 H new ATOM 0 HD3 LYS B 30 37.294 -2.273 43.209 1.00 0.00 H new ATOM 0 HE2 LYS B 30 35.876 -0.732 41.947 1.00 0.00 H new ATOM 0 HE3 LYS B 30 37.461 -0.827 41.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 35.371 -0.973 39.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 36.661 -2.033 39.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 35.288 -2.588 40.253 1.00 0.00 H new ATOM 1309 N GLY B 31 35.821 -6.585 38.747 1.00 0.00 N ATOM 1310 CA GLY B 31 35.364 -7.138 37.486 1.00 0.00 C ATOM 1311 C GLY B 31 36.262 -6.759 36.324 1.00 0.00 C ATOM 1312 O GLY B 31 35.818 -6.119 35.371 1.00 0.00 O ATOM 0 H GLY B 31 36.409 -7.209 39.300 1.00 0.00 H new ATOM 0 HA2 GLY B 31 35.317 -8.224 37.565 1.00 0.00 H new ATOM 0 HA3 GLY B 31 34.351 -6.789 37.286 1.00 0.00 H new ATOM 1316 N CYS B 32 37.527 -7.159 36.402 1.00 0.00 N ATOM 1317 CA CYS B 32 38.488 -6.868 35.344 1.00 0.00 C ATOM 1318 C CYS B 32 39.447 -8.037 35.143 1.00 0.00 C ATOM 1319 O CYS B 32 39.406 -9.021 35.881 1.00 0.00 O ATOM 1320 CB CYS B 32 39.280 -5.603 35.677 1.00 0.00 C ATOM 1321 SG CYS B 32 38.258 -4.104 35.853 1.00 0.00 S ATOM 0 H CYS B 32 37.911 -7.686 37.187 1.00 0.00 H new ATOM 0 HA CYS B 32 37.932 -6.710 34.420 1.00 0.00 H new ATOM 0 HB2 CYS B 32 39.829 -5.766 36.605 1.00 0.00 H new ATOM 0 HB3 CYS B 32 40.020 -5.435 34.894 1.00 0.00 H new ATOM 1326 N CYS B 33 40.322 -7.912 34.151 1.00 0.00 N ATOM 1327 CA CYS B 33 41.329 -8.933 33.887 1.00 0.00 C ATOM 1328 C CYS B 33 42.438 -8.882 34.933 1.00 0.00 C ATOM 1329 O CYS B 33 42.757 -7.816 35.460 1.00 0.00 O ATOM 1330 CB CYS B 33 41.925 -8.749 32.490 1.00 0.00 C ATOM 1331 SG CYS B 33 40.715 -8.883 31.134 1.00 0.00 S ATOM 0 H CYS B 33 40.354 -7.114 33.517 1.00 0.00 H new ATOM 0 HA CYS B 33 40.843 -9.907 33.940 1.00 0.00 H new ATOM 0 HB2 CYS B 33 42.404 -7.771 32.438 1.00 0.00 H new ATOM 0 HB3 CYS B 33 42.705 -9.495 32.340 1.00 0.00 H new ATOM 1336 N PHE B 34 43.023 -10.038 35.228 1.00 0.00 N ATOM 1337 CA PHE B 34 44.106 -10.116 36.202 1.00 0.00 C ATOM 1338 C PHE B 34 45.324 -10.814 35.606 1.00 0.00 C ATOM 1339 O PHE B 34 45.212 -11.888 35.017 1.00 0.00 O ATOM 1340 CB PHE B 34 43.641 -10.860 37.455 1.00 0.00 C ATOM 1341 CG PHE B 34 44.696 -10.955 38.520 1.00 0.00 C ATOM 1342 CD1 PHE B 34 44.867 -9.930 39.437 1.00 0.00 C ATOM 1343 CD2 PHE B 34 45.516 -12.068 38.605 1.00 0.00 C ATOM 1344 CE1 PHE B 34 45.837 -10.012 40.417 1.00 0.00 C ATOM 1345 CE2 PHE B 34 46.488 -12.157 39.584 1.00 0.00 C ATOM 1346 CZ PHE B 34 46.649 -11.128 40.491 1.00 0.00 C ATOM 0 H PHE B 34 42.766 -10.931 34.808 1.00 0.00 H new ATOM 0 HA PHE B 34 44.389 -9.099 36.475 1.00 0.00 H new ATOM 0 HB2 PHE B 34 42.766 -10.355 37.865 1.00 0.00 H new ATOM 0 HB3 PHE B 34 43.326 -11.865 37.175 1.00 0.00 H new ATOM 0 HD1 PHE B 34 44.234 -9.056 39.385 1.00 0.00 H new ATOM 0 HD2 PHE B 34 45.395 -12.876 37.898 1.00 0.00 H new ATOM 0 HE1 PHE B 34 45.961 -9.205 41.124 1.00 0.00 H new ATOM 0 HE2 PHE B 34 47.121 -13.030 39.640 1.00 0.00 H new ATOM 0 HZ PHE B 34 47.408 -11.195 41.257 1.00 0.00 H new ATOM 1356 N ASP B 35 46.490 -10.193 35.764 1.00 0.00 N ATOM 1357 CA ASP B 35 47.731 -10.756 35.247 1.00 0.00 C ATOM 1358 C ASP B 35 48.911 -10.378 36.136 1.00 0.00 C ATOM 1359 O ASP B 35 49.663 -9.454 35.827 1.00 0.00 O ATOM 1360 CB ASP B 35 47.980 -10.269 33.818 1.00 0.00 C ATOM 1361 CG ASP B 35 49.255 -10.838 33.227 1.00 0.00 C ATOM 1362 OD1 ASP B 35 49.635 -11.965 33.609 1.00 0.00 O ATOM 1363 OD2 ASP B 35 49.874 -10.156 32.384 1.00 0.00 O ATOM 0 H ASP B 35 46.600 -9.301 36.246 1.00 0.00 H new ATOM 0 HA ASP B 35 47.634 -11.842 35.243 1.00 0.00 H new ATOM 0 HB2 ASP B 35 47.135 -10.549 33.189 1.00 0.00 H new ATOM 0 HB3 ASP B 35 48.034 -9.180 33.812 1.00 0.00 H new ATOM 1368 N ASP B 36 49.065 -11.097 37.244 1.00 0.00 N ATOM 1369 CA ASP B 36 50.150 -10.832 38.181 1.00 0.00 C ATOM 1370 C ASP B 36 51.430 -11.538 37.746 1.00 0.00 C ATOM 1371 O ASP B 36 52.035 -12.280 38.520 1.00 0.00 O ATOM 1372 CB ASP B 36 49.757 -11.284 39.589 1.00 0.00 C ATOM 1373 CG ASP B 36 49.446 -12.767 39.654 1.00 0.00 C ATOM 1374 OD1 ASP B 36 48.983 -13.321 38.634 1.00 0.00 O ATOM 1375 OD2 ASP B 36 49.666 -13.373 40.723 1.00 0.00 O ATOM 0 H ASP B 36 48.453 -11.867 37.514 1.00 0.00 H new ATOM 0 HA ASP B 36 50.335 -9.758 38.190 1.00 0.00 H new ATOM 0 HB2 ASP B 36 50.568 -11.055 40.281 1.00 0.00 H new ATOM 0 HB3 ASP B 36 48.886 -10.718 39.920 1.00 0.00 H new ATOM 1380 N THR B 37 51.836 -11.302 36.502 1.00 0.00 N ATOM 1381 CA THR B 37 53.044 -11.916 35.965 1.00 0.00 C ATOM 1382 C THR B 37 54.057 -10.857 35.540 1.00 0.00 C ATOM 1383 O THR B 37 55.177 -11.179 35.144 1.00 0.00 O ATOM 1384 CB THR B 37 52.726 -12.818 34.757 1.00 0.00 C ATOM 1385 OG1 THR B 37 52.115 -12.046 33.715 1.00 0.00 O ATOM 1386 CG2 THR B 37 51.800 -13.955 35.160 1.00 0.00 C ATOM 0 H THR B 37 51.346 -10.691 35.848 1.00 0.00 H new ATOM 0 HA THR B 37 53.470 -12.525 36.762 1.00 0.00 H new ATOM 0 HB THR B 37 53.662 -13.243 34.393 1.00 0.00 H new ATOM 0 HG1 THR B 37 51.212 -12.386 33.543 1.00 0.00 H new ATOM 0 HG21 THR B 37 51.590 -14.578 34.291 1.00 0.00 H new ATOM 0 HG22 THR B 37 52.279 -14.558 35.932 1.00 0.00 H new ATOM 0 HG23 THR B 37 50.867 -13.545 35.547 1.00 0.00 H new ATOM 1394 N VAL B 38 53.655 -9.593 35.626 1.00 0.00 N ATOM 1395 CA VAL B 38 54.528 -8.486 35.251 1.00 0.00 C ATOM 1396 C VAL B 38 54.520 -7.394 36.315 1.00 0.00 C ATOM 1397 O VAL B 38 53.546 -6.655 36.453 1.00 0.00 O ATOM 1398 CB VAL B 38 54.110 -7.873 33.900 1.00 0.00 C ATOM 1399 CG1 VAL B 38 55.033 -6.724 33.528 1.00 0.00 C ATOM 1400 CG2 VAL B 38 54.102 -8.935 32.811 1.00 0.00 C ATOM 0 H VAL B 38 52.731 -9.310 35.952 1.00 0.00 H new ATOM 0 HA VAL B 38 55.535 -8.895 35.161 1.00 0.00 H new ATOM 0 HB VAL B 38 53.098 -7.479 33.997 1.00 0.00 H new ATOM 0 HG11 VAL B 38 54.723 -6.303 32.571 1.00 0.00 H new ATOM 0 HG12 VAL B 38 54.982 -5.953 34.297 1.00 0.00 H new ATOM 0 HG13 VAL B 38 56.056 -7.091 33.448 1.00 0.00 H new ATOM 0 HG21 VAL B 38 53.804 -8.483 31.865 1.00 0.00 H new ATOM 0 HG22 VAL B 38 55.100 -9.362 32.712 1.00 0.00 H new ATOM 0 HG23 VAL B 38 53.396 -9.722 33.075 1.00 0.00 H new ATOM 1410 N ARG B 39 55.614 -7.298 37.065 1.00 0.00 N ATOM 1411 CA ARG B 39 55.734 -6.295 38.115 1.00 0.00 C ATOM 1412 C ARG B 39 55.893 -4.900 37.520 1.00 0.00 C ATOM 1413 O ARG B 39 55.752 -4.709 36.312 1.00 0.00 O ATOM 1414 CB ARG B 39 56.925 -6.616 39.022 1.00 0.00 C ATOM 1415 CG ARG B 39 56.812 -7.962 39.718 1.00 0.00 C ATOM 1416 CD ARG B 39 58.018 -8.236 40.602 1.00 0.00 C ATOM 1417 NE ARG B 39 59.262 -8.265 39.837 1.00 0.00 N ATOM 1418 CZ ARG B 39 60.433 -8.628 40.350 1.00 0.00 C ATOM 1419 NH1 ARG B 39 60.518 -8.988 41.623 1.00 0.00 N ATOM 1420 NH2 ARG B 39 61.520 -8.633 39.591 1.00 0.00 N ATOM 0 H ARG B 39 56.429 -7.903 36.964 1.00 0.00 H new ATOM 0 HA ARG B 39 54.819 -6.314 38.708 1.00 0.00 H new ATOM 0 HB2 ARG B 39 57.839 -6.599 38.428 1.00 0.00 H new ATOM 0 HB3 ARG B 39 57.019 -5.833 39.775 1.00 0.00 H new ATOM 0 HG2 ARG B 39 55.905 -7.986 40.321 1.00 0.00 H new ATOM 0 HG3 ARG B 39 56.719 -8.752 38.972 1.00 0.00 H new ATOM 0 HD2 ARG B 39 58.084 -7.468 41.373 1.00 0.00 H new ATOM 0 HD3 ARG B 39 57.884 -9.190 41.113 1.00 0.00 H new ATOM 0 HE ARG B 39 59.230 -7.992 38.855 1.00 0.00 H new ATOM 0 HH11 ARG B 39 59.684 -8.987 42.210 1.00 0.00 H new ATOM 0 HH12 ARG B 39 61.417 -9.266 42.015 1.00 0.00 H new ATOM 0 HH21 ARG B 39 61.459 -8.358 38.611 1.00 0.00 H new ATOM 0 HH22 ARG B 39 62.417 -8.912 39.987 1.00 0.00 H new ATOM 1434 N GLY B 40 56.180 -3.925 38.377 1.00 0.00 N ATOM 1435 CA GLY B 40 56.334 -2.558 37.918 1.00 0.00 C ATOM 1436 C GLY B 40 55.099 -2.046 37.206 1.00 0.00 C ATOM 1437 O GLY B 40 54.981 -0.852 36.930 1.00 0.00 O ATOM 0 H GLY B 40 56.308 -4.058 39.380 1.00 0.00 H new ATOM 0 HA2 GLY B 40 56.552 -1.914 38.770 1.00 0.00 H new ATOM 0 HA3 GLY B 40 57.189 -2.498 37.245 1.00 0.00 H new ATOM 1441 N VAL B 41 54.174 -2.953 36.908 1.00 0.00 N ATOM 1442 CA VAL B 41 52.937 -2.590 36.227 1.00 0.00 C ATOM 1443 C VAL B 41 51.725 -3.185 36.936 1.00 0.00 C ATOM 1444 O VAL B 41 51.857 -4.085 37.765 1.00 0.00 O ATOM 1445 CB VAL B 41 52.944 -3.061 34.761 1.00 0.00 C ATOM 1446 CG1 VAL B 41 54.075 -2.398 33.991 1.00 0.00 C ATOM 1447 CG2 VAL B 41 53.055 -4.576 34.689 1.00 0.00 C ATOM 0 H VAL B 41 54.258 -3.945 37.128 1.00 0.00 H new ATOM 0 HA VAL B 41 52.870 -1.502 36.250 1.00 0.00 H new ATOM 0 HB VAL B 41 52.002 -2.766 34.299 1.00 0.00 H new ATOM 0 HG11 VAL B 41 54.063 -2.744 32.957 1.00 0.00 H new ATOM 0 HG12 VAL B 41 53.945 -1.316 34.013 1.00 0.00 H new ATOM 0 HG13 VAL B 41 55.029 -2.658 34.450 1.00 0.00 H new ATOM 0 HG21 VAL B 41 53.058 -4.891 33.646 1.00 0.00 H new ATOM 0 HG22 VAL B 41 53.980 -4.896 35.168 1.00 0.00 H new ATOM 0 HG23 VAL B 41 52.206 -5.028 35.202 1.00 0.00 H new ATOM 1457 N PRO B 42 50.524 -2.686 36.609 1.00 0.00 N ATOM 1458 CA PRO B 42 49.275 -3.170 37.205 1.00 0.00 C ATOM 1459 C PRO B 42 48.903 -4.566 36.716 1.00 0.00 C ATOM 1460 O PRO B 42 49.133 -4.909 35.556 1.00 0.00 O ATOM 1461 CB PRO B 42 48.240 -2.146 36.735 1.00 0.00 C ATOM 1462 CG PRO B 42 48.796 -1.604 35.464 1.00 0.00 C ATOM 1463 CD PRO B 42 50.292 -1.610 35.629 1.00 0.00 C ATOM 0 HA PRO B 42 49.347 -3.258 38.289 1.00 0.00 H new ATOM 0 HB2 PRO B 42 47.267 -2.611 36.575 1.00 0.00 H new ATOM 0 HB3 PRO B 42 48.099 -1.357 37.474 1.00 0.00 H new ATOM 0 HG2 PRO B 42 48.495 -2.216 34.614 1.00 0.00 H new ATOM 0 HG3 PRO B 42 48.428 -0.595 35.276 1.00 0.00 H new ATOM 0 HD2 PRO B 42 50.799 -1.810 34.685 1.00 0.00 H new ATOM 0 HD3 PRO B 42 50.660 -0.650 35.992 1.00 0.00 H new ATOM 1471 N TRP B 43 48.327 -5.367 37.606 1.00 0.00 N ATOM 1472 CA TRP B 43 47.919 -6.724 37.260 1.00 0.00 C ATOM 1473 C TRP B 43 46.461 -6.754 36.815 1.00 0.00 C ATOM 1474 O TRP B 43 46.135 -7.294 35.756 1.00 0.00 O ATOM 1475 CB TRP B 43 48.120 -7.663 38.452 1.00 0.00 C ATOM 1476 CG TRP B 43 49.538 -7.725 38.929 1.00 0.00 C ATOM 1477 CD1 TRP B 43 50.665 -7.612 38.167 1.00 0.00 C ATOM 1478 CD2 TRP B 43 49.982 -7.922 40.277 1.00 0.00 C ATOM 1479 NE1 TRP B 43 51.783 -7.722 38.960 1.00 0.00 N ATOM 1480 CE2 TRP B 43 51.389 -7.913 40.258 1.00 0.00 C ATOM 1481 CE3 TRP B 43 49.325 -8.102 41.497 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 52.150 -8.078 41.413 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 50.082 -8.266 42.643 1.00 0.00 C ATOM 1484 CH2 TRP B 43 51.482 -8.253 42.594 1.00 0.00 C ATOM 0 H TRP B 43 48.132 -5.101 38.571 1.00 0.00 H new ATOM 0 HA TRP B 43 48.542 -7.064 36.433 1.00 0.00 H new ATOM 0 HB2 TRP B 43 47.482 -7.337 39.273 1.00 0.00 H new ATOM 0 HB3 TRP B 43 47.794 -8.665 38.174 1.00 0.00 H new ATOM 0 HD1 TRP B 43 50.677 -7.459 37.098 1.00 0.00 H new ATOM 0 HE1 TRP B 43 52.748 -7.670 38.635 1.00 0.00 H new ATOM 0 HE3 TRP B 43 48.246 -8.113 41.544 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 53.229 -8.068 41.377 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 49.585 -8.406 43.592 1.00 0.00 H new ATOM 0 HH2 TRP B 43 52.045 -8.384 43.506 1.00 0.00 H new ATOM 1495 N CYS B 44 45.588 -6.163 37.624 1.00 0.00 N ATOM 1496 CA CYS B 44 44.167 -6.102 37.304 1.00 0.00 C ATOM 1497 C CYS B 44 43.857 -4.873 36.456 1.00 0.00 C ATOM 1498 O CYS B 44 44.144 -3.744 36.854 1.00 0.00 O ATOM 1499 CB CYS B 44 43.335 -6.076 38.587 1.00 0.00 C ATOM 1500 SG CYS B 44 41.534 -6.034 38.308 1.00 0.00 S ATOM 0 H CYS B 44 45.840 -5.719 38.507 1.00 0.00 H new ATOM 0 HA CYS B 44 43.908 -6.992 36.731 1.00 0.00 H new ATOM 0 HB2 CYS B 44 43.579 -6.956 39.183 1.00 0.00 H new ATOM 0 HB3 CYS B 44 43.621 -5.204 39.175 1.00 0.00 H new ATOM 1505 N PHE B 45 43.278 -5.101 35.282 1.00 0.00 N ATOM 1506 CA PHE B 45 42.950 -4.014 34.367 1.00 0.00 C ATOM 1507 C PHE B 45 41.700 -4.341 33.557 1.00 0.00 C ATOM 1508 O PHE B 45 41.422 -5.505 33.269 1.00 0.00 O ATOM 1509 CB PHE B 45 44.124 -3.742 33.425 1.00 0.00 C ATOM 1510 CG PHE B 45 44.531 -4.939 32.614 1.00 0.00 C ATOM 1511 CD1 PHE B 45 45.427 -5.866 33.125 1.00 0.00 C ATOM 1512 CD2 PHE B 45 44.018 -5.139 31.343 1.00 0.00 C ATOM 1513 CE1 PHE B 45 45.802 -6.970 32.383 1.00 0.00 C ATOM 1514 CE2 PHE B 45 44.390 -6.241 30.595 1.00 0.00 C ATOM 1515 CZ PHE B 45 45.284 -7.157 31.116 1.00 0.00 C ATOM 0 H PHE B 45 43.026 -6.029 34.942 1.00 0.00 H new ATOM 0 HA PHE B 45 42.753 -3.121 34.960 1.00 0.00 H new ATOM 0 HB2 PHE B 45 43.857 -2.929 32.750 1.00 0.00 H new ATOM 0 HB3 PHE B 45 44.978 -3.402 34.011 1.00 0.00 H new ATOM 0 HD1 PHE B 45 45.836 -5.724 34.114 1.00 0.00 H new ATOM 0 HD2 PHE B 45 43.319 -4.426 30.931 1.00 0.00 H new ATOM 0 HE1 PHE B 45 46.499 -7.686 32.793 1.00 0.00 H new ATOM 0 HE2 PHE B 45 43.983 -6.386 29.605 1.00 0.00 H new ATOM 0 HZ PHE B 45 45.577 -8.018 30.534 1.00 0.00 H new ATOM 1525 N TYR B 46 40.953 -3.306 33.191 1.00 0.00 N ATOM 1526 CA TYR B 46 39.739 -3.482 32.401 1.00 0.00 C ATOM 1527 C TYR B 46 39.988 -4.420 31.225 1.00 0.00 C ATOM 1528 O TYR B 46 41.103 -4.504 30.709 1.00 0.00 O ATOM 1529 CB TYR B 46 39.237 -2.129 31.893 1.00 0.00 C ATOM 1530 CG TYR B 46 38.876 -1.162 32.999 1.00 0.00 C ATOM 1531 CD1 TYR B 46 39.854 -0.408 33.634 1.00 0.00 C ATOM 1532 CD2 TYR B 46 37.557 -1.005 33.407 1.00 0.00 C ATOM 1533 CE1 TYR B 46 39.528 0.476 34.646 1.00 0.00 C ATOM 1534 CE2 TYR B 46 37.223 -0.123 34.417 1.00 0.00 C ATOM 1535 CZ TYR B 46 38.212 0.615 35.033 1.00 0.00 C ATOM 1536 OH TYR B 46 37.884 1.495 36.039 1.00 0.00 O ATOM 0 H TYR B 46 41.166 -2.337 33.428 1.00 0.00 H new ATOM 0 HA TYR B 46 38.978 -3.927 33.042 1.00 0.00 H new ATOM 0 HB2 TYR B 46 40.005 -1.679 31.265 1.00 0.00 H new ATOM 0 HB3 TYR B 46 38.363 -2.289 31.262 1.00 0.00 H new ATOM 0 HD1 TYR B 46 40.886 -0.514 33.333 1.00 0.00 H new ATOM 0 HD2 TYR B 46 36.780 -1.582 32.927 1.00 0.00 H new ATOM 0 HE1 TYR B 46 40.300 1.055 35.131 1.00 0.00 H new ATOM 0 HE2 TYR B 46 36.193 -0.012 34.722 1.00 0.00 H new ATOM 0 HH TYR B 46 36.916 1.474 36.189 1.00 0.00 H new ATOM 1546 N PRO B 47 38.945 -5.144 30.792 1.00 0.00 N ATOM 1547 CA PRO B 47 39.046 -6.093 29.681 1.00 0.00 C ATOM 1548 C PRO B 47 39.170 -5.395 28.331 1.00 0.00 C ATOM 1549 O PRO B 47 39.071 -4.171 28.242 1.00 0.00 O ATOM 1550 CB PRO B 47 37.732 -6.871 29.762 1.00 0.00 C ATOM 1551 CG PRO B 47 36.775 -5.927 30.403 1.00 0.00 C ATOM 1552 CD PRO B 47 37.585 -5.095 31.359 1.00 0.00 C ATOM 0 HA PRO B 47 39.935 -6.719 29.758 1.00 0.00 H new ATOM 0 HB2 PRO B 47 37.388 -7.173 28.773 1.00 0.00 H new ATOM 0 HB3 PRO B 47 37.846 -7.781 30.351 1.00 0.00 H new ATOM 0 HG2 PRO B 47 36.288 -5.299 29.657 1.00 0.00 H new ATOM 0 HG3 PRO B 47 35.987 -6.467 30.928 1.00 0.00 H new ATOM 0 HD2 PRO B 47 37.211 -4.073 31.417 1.00 0.00 H new ATOM 0 HD3 PRO B 47 37.557 -5.503 32.369 1.00 0.00 H new ATOM 1560 N ASN B 48 39.389 -6.181 27.282 1.00 0.00 N ATOM 1561 CA ASN B 48 39.528 -5.638 25.936 1.00 0.00 C ATOM 1562 C ASN B 48 38.595 -6.353 24.963 1.00 0.00 C ATOM 1563 O ASN B 48 38.362 -7.554 25.081 1.00 0.00 O ATOM 1564 CB ASN B 48 40.976 -5.765 25.459 1.00 0.00 C ATOM 1565 CG ASN B 48 41.947 -5.023 26.356 1.00 0.00 C ATOM 1566 OD1 ASN B 48 42.232 -3.845 26.141 1.00 0.00 O ATOM 1567 ND2 ASN B 48 42.464 -5.711 27.367 1.00 0.00 N ATOM 0 H ASN B 48 39.474 -7.196 27.338 1.00 0.00 H new ATOM 0 HA ASN B 48 39.254 -4.583 25.966 1.00 0.00 H new ATOM 0 HB2 ASN B 48 41.252 -6.819 25.422 1.00 0.00 H new ATOM 0 HB3 ASN B 48 41.056 -5.379 24.443 1.00 0.00 H new ATOM 0 HD21 ASN B 48 43.125 -5.265 28.002 1.00 0.00 H new ATOM 0 HD22 ASN B 48 42.200 -6.686 27.508 1.00 0.00 H new ATOM 1574 N THR B 49 38.061 -5.603 24.004 1.00 0.00 N ATOM 1575 CA THR B 49 37.148 -6.164 23.016 1.00 0.00 C ATOM 1576 C THR B 49 37.860 -6.421 21.692 1.00 0.00 C ATOM 1577 O THR B 49 38.543 -5.542 21.164 1.00 0.00 O ATOM 1578 CB THR B 49 35.946 -5.232 22.769 1.00 0.00 C ATOM 1579 OG1 THR B 49 35.222 -5.033 23.989 1.00 0.00 O ATOM 1580 CG2 THR B 49 35.019 -5.813 21.712 1.00 0.00 C ATOM 0 H THR B 49 38.245 -4.606 23.891 1.00 0.00 H new ATOM 0 HA THR B 49 36.787 -7.110 23.420 1.00 0.00 H new ATOM 0 HB THR B 49 36.324 -4.274 22.411 1.00 0.00 H new ATOM 0 HG1 THR B 49 34.461 -4.438 23.824 1.00 0.00 H new ATOM 0 HG21 THR B 49 34.178 -5.138 21.555 1.00 0.00 H new ATOM 0 HG22 THR B 49 35.565 -5.936 20.777 1.00 0.00 H new ATOM 0 HG23 THR B 49 34.648 -6.782 22.046 1.00 0.00 H new ATOM 1588 N ILE B 50 37.702 -7.630 21.162 1.00 0.00 N ATOM 1589 CA ILE B 50 38.348 -8.004 19.910 1.00 0.00 C ATOM 1590 C ILE B 50 37.608 -9.149 19.224 1.00 0.00 C ATOM 1591 O ILE B 50 36.891 -9.913 19.869 1.00 0.00 O ATOM 1592 CB ILE B 50 39.813 -8.423 20.138 1.00 0.00 C ATOM 1593 CG1 ILE B 50 40.602 -7.274 20.767 1.00 0.00 C ATOM 1594 CG2 ILE B 50 40.451 -8.855 18.827 1.00 0.00 C ATOM 1595 CD1 ILE B 50 42.053 -7.611 21.033 1.00 0.00 C ATOM 0 H ILE B 50 37.133 -8.366 21.580 1.00 0.00 H new ATOM 0 HA ILE B 50 38.322 -7.123 19.269 1.00 0.00 H new ATOM 0 HB ILE B 50 39.831 -9.270 20.824 1.00 0.00 H new ATOM 0 HG12 ILE B 50 40.554 -6.407 20.108 1.00 0.00 H new ATOM 0 HG13 ILE B 50 40.126 -6.988 21.705 1.00 0.00 H new ATOM 0 HG21 ILE B 50 41.486 -9.148 19.005 1.00 0.00 H new ATOM 0 HG22 ILE B 50 39.900 -9.701 18.416 1.00 0.00 H new ATOM 0 HG23 ILE B 50 40.425 -8.026 18.119 1.00 0.00 H new ATOM 0 HD11 ILE B 50 42.551 -6.750 21.479 1.00 0.00 H new ATOM 0 HD12 ILE B 50 42.110 -8.458 21.717 1.00 0.00 H new ATOM 0 HD13 ILE B 50 42.545 -7.868 20.095 1.00 0.00 H new ATOM 1607 N ASP B 51 37.789 -9.260 17.912 1.00 0.00 N ATOM 1608 CA ASP B 51 37.142 -10.313 17.136 1.00 0.00 C ATOM 1609 C ASP B 51 37.869 -10.537 15.813 1.00 0.00 C ATOM 1610 O ASP B 51 38.944 -9.983 15.582 1.00 0.00 O ATOM 1611 CB ASP B 51 35.679 -9.955 16.873 1.00 0.00 C ATOM 1612 CG ASP B 51 34.959 -11.019 16.067 1.00 0.00 C ATOM 1613 OD1 ASP B 51 34.386 -11.943 16.681 1.00 0.00 O ATOM 1614 OD2 ASP B 51 34.968 -10.926 14.821 1.00 0.00 O ATOM 0 H ASP B 51 38.378 -8.634 17.363 1.00 0.00 H new ATOM 0 HA ASP B 51 37.184 -11.236 17.715 1.00 0.00 H new ATOM 0 HB2 ASP B 51 35.166 -9.814 17.824 1.00 0.00 H new ATOM 0 HB3 ASP B 51 35.630 -9.005 16.341 1.00 0.00 H new ATOM 1619 N VAL B 52 37.274 -11.353 14.948 1.00 0.00 N ATOM 1620 CA VAL B 52 37.866 -11.652 13.650 1.00 0.00 C ATOM 1621 C VAL B 52 37.115 -10.946 12.525 1.00 0.00 C ATOM 1622 O VAL B 52 35.952 -11.248 12.258 1.00 0.00 O ATOM 1623 CB VAL B 52 37.875 -13.166 13.371 1.00 0.00 C ATOM 1624 CG1 VAL B 52 38.499 -13.457 12.016 1.00 0.00 C ATOM 1625 CG2 VAL B 52 38.612 -13.908 14.476 1.00 0.00 C ATOM 0 H VAL B 52 36.383 -11.818 15.123 1.00 0.00 H new ATOM 0 HA VAL B 52 38.893 -11.289 13.682 1.00 0.00 H new ATOM 0 HB VAL B 52 36.844 -13.519 13.352 1.00 0.00 H new ATOM 0 HG11 VAL B 52 38.496 -14.532 11.837 1.00 0.00 H new ATOM 0 HG12 VAL B 52 37.924 -12.958 11.236 1.00 0.00 H new ATOM 0 HG13 VAL B 52 39.525 -13.090 12.002 1.00 0.00 H new ATOM 0 HG21 VAL B 52 38.608 -14.977 14.262 1.00 0.00 H new ATOM 0 HG22 VAL B 52 39.641 -13.552 14.530 1.00 0.00 H new ATOM 0 HG23 VAL B 52 38.116 -13.727 15.429 1.00 0.00 H new ATOM 1635 N PRO B 53 37.779 -9.996 11.850 1.00 0.00 N ATOM 1636 CA PRO B 53 37.180 -9.245 10.744 1.00 0.00 C ATOM 1637 C PRO B 53 36.991 -10.104 9.497 1.00 0.00 C ATOM 1638 O PRO B 53 37.438 -11.250 9.448 1.00 0.00 O ATOM 1639 CB PRO B 53 38.200 -8.135 10.477 1.00 0.00 C ATOM 1640 CG PRO B 53 39.497 -8.694 10.947 1.00 0.00 C ATOM 1641 CD PRO B 53 39.169 -9.583 12.116 1.00 0.00 C ATOM 0 HA PRO B 53 36.184 -8.878 10.992 1.00 0.00 H new ATOM 0 HB2 PRO B 53 38.239 -7.879 9.418 1.00 0.00 H new ATOM 0 HB3 PRO B 53 37.943 -7.223 11.016 1.00 0.00 H new ATOM 0 HG2 PRO B 53 39.988 -9.258 10.154 1.00 0.00 H new ATOM 0 HG3 PRO B 53 40.180 -7.898 11.242 1.00 0.00 H new ATOM 0 HD2 PRO B 53 39.840 -10.440 12.170 1.00 0.00 H new ATOM 0 HD3 PRO B 53 39.256 -9.050 13.063 1.00 0.00 H new ATOM 1649 N PRO B 54 36.322 -9.554 8.473 1.00 0.00 N ATOM 1650 CA PRO B 54 36.059 -10.266 7.220 1.00 0.00 C ATOM 1651 C PRO B 54 37.329 -10.485 6.405 1.00 0.00 C ATOM 1652 O PRO B 54 37.627 -11.604 5.988 1.00 0.00 O ATOM 1653 CB PRO B 54 35.095 -9.339 6.462 1.00 0.00 C ATOM 1654 CG PRO B 54 34.647 -8.320 7.459 1.00 0.00 C ATOM 1655 CD PRO B 54 35.760 -8.200 8.457 1.00 0.00 C ATOM 0 HA PRO B 54 35.653 -11.261 7.401 1.00 0.00 H new ATOM 0 HB2 PRO B 54 35.592 -8.866 5.615 1.00 0.00 H new ATOM 0 HB3 PRO B 54 34.247 -9.897 6.064 1.00 0.00 H new ATOM 0 HG2 PRO B 54 34.451 -7.362 6.977 1.00 0.00 H new ATOM 0 HG3 PRO B 54 33.721 -8.629 7.943 1.00 0.00 H new ATOM 0 HD2 PRO B 54 36.499 -7.458 8.153 1.00 0.00 H new ATOM 0 HD3 PRO B 54 35.393 -7.902 9.439 1.00 0.00 H new ATOM 1663 N GLU B 55 38.076 -9.408 6.181 1.00 0.00 N ATOM 1664 CA GLU B 55 39.313 -9.481 5.414 1.00 0.00 C ATOM 1665 C GLU B 55 40.485 -8.921 6.214 1.00 0.00 C ATOM 1666 O GLU B 55 40.390 -8.741 7.429 1.00 0.00 O ATOM 1667 CB GLU B 55 39.169 -8.716 4.098 1.00 0.00 C ATOM 1668 CG GLU B 55 38.064 -9.251 3.202 1.00 0.00 C ATOM 1669 CD GLU B 55 37.940 -8.477 1.904 1.00 0.00 C ATOM 1670 OE1 GLU B 55 38.968 -7.951 1.426 1.00 0.00 O ATOM 1671 OE2 GLU B 55 36.817 -8.398 1.364 1.00 0.00 O ATOM 0 H GLU B 55 37.845 -8.474 6.520 1.00 0.00 H new ATOM 0 HA GLU B 55 39.513 -10.530 5.197 1.00 0.00 H new ATOM 0 HB2 GLU B 55 38.972 -7.667 4.317 1.00 0.00 H new ATOM 0 HB3 GLU B 55 40.115 -8.757 3.558 1.00 0.00 H new ATOM 0 HG2 GLU B 55 38.259 -10.300 2.978 1.00 0.00 H new ATOM 0 HG3 GLU B 55 37.115 -9.210 3.737 1.00 0.00 H new ATOM 1678 N GLU B 56 41.589 -8.648 5.527 1.00 0.00 N ATOM 1679 CA GLU B 56 42.780 -8.108 6.173 1.00 0.00 C ATOM 1680 C GLU B 56 42.932 -6.619 5.879 1.00 0.00 C ATOM 1681 O GLU B 56 44.019 -6.058 6.014 1.00 0.00 O ATOM 1682 CB GLU B 56 44.027 -8.862 5.705 1.00 0.00 C ATOM 1683 CG GLU B 56 43.992 -10.349 6.020 1.00 0.00 C ATOM 1684 CD GLU B 56 43.873 -10.628 7.505 1.00 0.00 C ATOM 1685 OE1 GLU B 56 44.365 -9.804 8.304 1.00 0.00 O ATOM 1686 OE2 GLU B 56 43.289 -11.670 7.869 1.00 0.00 O ATOM 0 H GLU B 56 41.684 -8.792 4.522 1.00 0.00 H new ATOM 0 HA GLU B 56 42.668 -8.238 7.249 1.00 0.00 H new ATOM 0 HB2 GLU B 56 44.139 -8.729 4.629 1.00 0.00 H new ATOM 0 HB3 GLU B 56 44.906 -8.420 6.174 1.00 0.00 H new ATOM 0 HG2 GLU B 56 43.151 -10.807 5.500 1.00 0.00 H new ATOM 0 HG3 GLU B 56 44.898 -10.819 5.637 1.00 0.00 H new ATOM 1693 N GLU B 57 41.835 -5.985 5.477 1.00 0.00 N ATOM 1694 CA GLU B 57 41.848 -4.561 5.166 1.00 0.00 C ATOM 1695 C GLU B 57 40.761 -3.825 5.944 1.00 0.00 C ATOM 1696 O GLU B 57 40.590 -2.615 5.798 1.00 0.00 O ATOM 1697 CB GLU B 57 41.651 -4.344 3.664 1.00 0.00 C ATOM 1698 CG GLU B 57 41.651 -2.879 3.257 1.00 0.00 C ATOM 1699 CD GLU B 57 41.458 -2.690 1.764 1.00 0.00 C ATOM 1700 OE1 GLU B 57 42.470 -2.657 1.034 1.00 0.00 O ATOM 1701 OE2 GLU B 57 40.293 -2.577 1.327 1.00 0.00 O ATOM 0 H GLU B 57 40.927 -6.435 5.359 1.00 0.00 H new ATOM 0 HA GLU B 57 42.817 -4.159 5.461 1.00 0.00 H new ATOM 0 HB2 GLU B 57 42.442 -4.863 3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 57 40.707 -4.797 3.360 1.00 0.00 H new ATOM 0 HG2 GLU B 57 40.857 -2.357 3.791 1.00 0.00 H new ATOM 0 HG3 GLU B 57 42.593 -2.421 3.559 1.00 0.00 H new ATOM 1708 N CYS B 58 40.028 -4.564 6.770 1.00 0.00 N ATOM 1709 CA CYS B 58 38.958 -3.982 7.570 1.00 0.00 C ATOM 1710 C CYS B 58 39.132 -4.327 9.045 1.00 0.00 C ATOM 1711 O CYS B 58 38.333 -5.067 9.619 1.00 0.00 O ATOM 1712 CB CYS B 58 37.596 -4.474 7.075 1.00 0.00 C ATOM 1713 SG CYS B 58 37.218 -4.004 5.355 1.00 0.00 S ATOM 0 H CYS B 58 40.156 -5.567 6.903 1.00 0.00 H new ATOM 0 HA CYS B 58 39.006 -2.898 7.461 1.00 0.00 H new ATOM 0 HB2 CYS B 58 37.561 -5.560 7.160 1.00 0.00 H new ATOM 0 HB3 CYS B 58 36.819 -4.078 7.728 1.00 0.00 H new ATOM 1718 N GLU B 59 40.181 -3.783 9.653 1.00 0.00 N ATOM 1719 CA GLU B 59 40.458 -4.024 11.065 1.00 0.00 C ATOM 1720 C GLU B 59 41.210 -2.848 11.679 1.00 0.00 C ATOM 1721 O GLU B 59 41.018 -2.518 12.850 1.00 0.00 O ATOM 1722 CB GLU B 59 41.270 -5.309 11.235 1.00 0.00 C ATOM 1723 CG GLU B 59 42.611 -5.281 10.521 1.00 0.00 C ATOM 1724 CD GLU B 59 43.396 -6.565 10.701 1.00 0.00 C ATOM 1725 OE1 GLU B 59 44.175 -6.654 11.673 1.00 0.00 O ATOM 1726 OE2 GLU B 59 43.232 -7.482 9.869 1.00 0.00 O ATOM 0 H GLU B 59 40.854 -3.172 9.190 1.00 0.00 H new ATOM 0 HA GLU B 59 39.506 -4.134 11.583 1.00 0.00 H new ATOM 0 HB2 GLU B 59 41.437 -5.485 12.298 1.00 0.00 H new ATOM 0 HB3 GLU B 59 40.686 -6.150 10.861 1.00 0.00 H new ATOM 0 HG2 GLU B 59 42.448 -5.105 9.458 1.00 0.00 H new ATOM 0 HG3 GLU B 59 43.200 -4.444 10.896 1.00 0.00 H new ATOM 1733 N PHE B 60 42.063 -2.214 10.880 1.00 0.00 N ATOM 1734 CA PHE B 60 42.836 -1.067 11.342 1.00 0.00 C ATOM 1735 C PHE B 60 42.204 0.239 10.870 1.00 0.00 C ATOM 1736 O PHE B 60 41.363 0.789 11.612 1.00 0.00 O ATOM 1737 CB PHE B 60 44.278 -1.160 10.838 1.00 0.00 C ATOM 1738 CG PHE B 60 45.005 -2.383 11.319 1.00 0.00 C ATOM 1739 CD1 PHE B 60 45.638 -2.388 12.551 1.00 0.00 C ATOM 1740 CD2 PHE B 60 45.054 -3.527 10.539 1.00 0.00 C ATOM 1741 CE1 PHE B 60 46.308 -3.512 12.997 1.00 0.00 C ATOM 1742 CE2 PHE B 60 45.722 -4.654 10.979 1.00 0.00 C ATOM 1743 CZ PHE B 60 46.350 -4.646 12.210 1.00 0.00 C ATOM 1744 OXT PHE B 60 42.556 0.701 9.764 1.00 0.00 O ATOM 0 H PHE B 60 42.236 -2.476 9.909 1.00 0.00 H new ATOM 0 HA PHE B 60 42.838 -1.077 12.432 1.00 0.00 H new ATOM 0 HB2 PHE B 60 44.274 -1.155 9.748 1.00 0.00 H new ATOM 0 HB3 PHE B 60 44.824 -0.273 11.159 1.00 0.00 H new ATOM 0 HD1 PHE B 60 45.608 -1.504 13.170 1.00 0.00 H new ATOM 0 HD2 PHE B 60 44.565 -3.538 9.576 1.00 0.00 H new ATOM 0 HE1 PHE B 60 46.798 -3.503 13.959 1.00 0.00 H new ATOM 0 HE2 PHE B 60 45.753 -5.540 10.362 1.00 0.00 H new ATOM 0 HZ PHE B 60 46.873 -5.525 12.556 1.00 0.00 H new TER 1754 PHE B 60